NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
10588 |
1q0w   |
cing | 1-original | 5 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 6}
(( segid "UBI " and resid 2 and name HG1 ))
(( segid "UBI " and resid 2 and name HN ))
3.000 1.100 1.100 peak 6 spectrum 1 weight 0.10000E+01 volume 0.18951E-02 ppm1 8.934 ppm2 2.188 CV 1
OR { 6}
(( segid "UBI " and resid 1 and name HB1 ))
(( segid "UBI " and resid 2 and name HN ))
ASSI { 11}
(( segid "UBI " and resid 17 and name HN ))
(( segid "UBI " and resid 3 and name HN ))
3.900 1.900 1.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.58400E-03 ppm1 8.285 ppm2 8.933 CV 1
OR { 11}
(( segid "UBI " and resid 2 and name HN ))
(( segid "UBI " and resid 3 and name HN ))
ASSI { 17}
(( segid "UBI " and resid 2 and name HG1 ))
(( segid "UBI " and resid 3 and name HN ))
4.100 2.100 1.900 peak 17 spectrum 1 weight 0.10000E+01 volume 0.48764E-03 ppm1 8.287 ppm2 2.199 CV 1
OR { 17}
(( segid "UBI " and resid 16 and name HG2 ))
(( segid "UBI " and resid 3 and name HN ))
ASSI { 25}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 3 and name HN ))
3.500 1.500 1.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.85262E-03 ppm1 8.289 ppm2 0.680 CV 1
OR { 25}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 3 and name HN ))
OR { 25}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 3 and name HN ))
ASSI { 28}
(( segid "UBI " and resid 5 and name HN ))
(( segid "UBI " and resid 4 and name HN ))
3.900 1.900 1.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.68913E-03 ppm1 8.580 ppm2 9.290 CV 1
OR { 28}
(( segid "UBI " and resid 19 and name HN ))
(( segid "UBI " and resid 18 and name HN ))
OR { 28}
(( segid "UBI " and resid 64 and name HN ))
(( segid "UBI " and resid 4 and name HN ))
ASSI { 41}
(( segid "UBI " and resid 18 and name HG1 ))
(( segid "UBI " and resid 18 and name HN ))
2.300 0.700 0.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.87308E-02 ppm1 8.582 ppm2 2.313 CV 1
OR { 41}
(( segid "UBI " and resid 17 and name HB ))
(( segid "UBI " and resid 18 and name HN ))
ASSI { 45}
(( segid "UBI " and resid 3 and name HG11))
(( segid "UBI " and resid 4 and name HN ))
3.400 1.500 1.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.94902E-03 ppm1 8.581 ppm2 1.013 CV 1
OR { 45}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 4 and name HN ))
ASSI { 48}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 18 and name HN ))
3.100 1.200 1.200 peak 48 spectrum 1 weight 0.10000E+01 volume 0.24791E-02 ppm1 8.581 ppm2 0.666 CV 1
OR { 48}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 4 and name HN ))
ASSI { 58}
(( segid "UBI " and resid 13 and name HG12))
(( segid "UBI " and resid 5 and name HN ))
3.900 1.900 1.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.41172E-03 ppm1 9.306 ppm2 1.408 CV 1
OR { 58}
(( segid "UBI " and resid 15 and name HG ))
(( segid "UBI " and resid 5 and name HN ))
ASSI { 59}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 5 and name HN ))
3.300 1.300 1.300 peak 59 spectrum 1 weight 0.10000E+01 volume 0.12469E-02 ppm1 9.305 ppm2 1.042 CV 1
OR { 59}
(( segid "UBI " and resid 3 and name HG11))
(( segid "UBI " and resid 5 and name HN ))
ASSI { 60}
( segid "UBI " and resid 13 and name HG2%)
(( segid "UBI " and resid 5 and name HN ))
3.900 1.900 1.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.37960E-03 ppm1 9.308 ppm2 0.842 CV 1
OR { 60}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 5 and name HN ))
ASSI { 75}
(( segid "UBI " and resid 7 and name HA ))
(( segid "UBI " and resid 7 and name HN ))
2.900 1.000 1.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.23535E-02 ppm1 8.704 ppm2 5.002 CV 1
OR { 75}
(( segid "UBI " and resid 12 and name HA ))
(( segid "UBI " and resid 7 and name HN ))
ASSI { 81}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 7 and name HN ))
3.700 1.800 1.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.28996E-03 ppm1 8.707 ppm2 1.043 CV 1
OR { 81}
(( segid "UBI " and resid 69 and name HB2 ))
(( segid "UBI " and resid 7 and name HN ))
OR { 81}
( segid "UBI " and resid 8 and name HD1%)
(( segid "UBI " and resid 7 and name HN ))
ASSI { 109}
(( segid "UBI " and resid 11 and name HB1 ))
(( segid "UBI " and resid 10 and name HN ))
5.000 3.200 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.12702E-03 ppm1 7.784 ppm2 1.785 CV 1
OR { 109}
(( segid "UBI " and resid 8 and name HB2 ))
(( segid "UBI " and resid 10 and name HN ))
ASSI { 111}
(( segid "UBI " and resid 6 and name HD1 ))
(( segid "UBI " and resid 10 and name HN ))
4.700 2.800 1.300 peak 111 spectrum 1 weight 0.10000E+01 volume 0.11738E-03 ppm1 7.787 ppm2 1.549 CV 1
OR { 111}
(( segid "UBI " and resid 6 and name HD2 ))
(( segid "UBI " and resid 10 and name HN ))
OR { 111}
(( segid "UBI " and resid 11 and name HD2 ))
(( segid "UBI " and resid 10 and name HN ))
ASSI { 116}
(( segid "UBI " and resid 11 and name HA ))
(( segid "UBI " and resid 11 and name HN ))
2.600 0.900 0.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.36500E-02 ppm1 7.311 ppm2 4.328 CV 1
OR { 116}
(( segid "UBI " and resid 10 and name HA2 ))
(( segid "UBI " and resid 11 and name HN ))
ASSI { 121}
(( segid "UBI " and resid 11 and name HG1 ))
(( segid "UBI " and resid 11 and name HN ))
3.700 1.700 1.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.81469E-03 ppm1 7.311 ppm2 1.217 CV 1
OR { 121}
(( segid "UBI " and resid 6 and name HG2 ))
(( segid "UBI " and resid 11 and name HN ))
ASSI { 129}
(( segid "UBI " and resid 11 and name HG1 ))
(( segid "UBI " and resid 12 and name HN ))
3.500 1.500 1.500 peak 129 spectrum 1 weight 0.10000E+01 volume 0.95193E-03 ppm1 8.638 ppm2 1.196 CV 1
OR { 129}
( segid "UBI " and resid 22 and name HG2%)
(( segid "UBI " and resid 23 and name HN ))
ASSI { 138}
( segid "UBI " and resid 7 and name HG2%)
(( segid "UBI " and resid 13 and name HN ))
3.800 1.800 1.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.38544E-03 ppm1 9.582 ppm2 1.154 CV 1
OR { 138}
(( segid "UBI " and resid 15 and name HB2 ))
(( segid "UBI " and resid 13 and name HN ))
ASSI { 139}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 13 and name HN ))
2.900 1.100 1.100 peak 139 spectrum 1 weight 0.10000E+01 volume 0.23185E-02 ppm1 9.580 ppm2 1.041 CV 1
OR { 139}
(( segid "UBI " and resid 13 and name HG11))
(( segid "UBI " and resid 13 and name HN ))
ASSI { 141}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 13 and name HN ))
3.600 1.600 1.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.94021E-03 ppm1 9.580 ppm2 0.676 CV 1
OR { 141}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 13 and name HN ))
OR { 141}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 13 and name HN ))
ASSI { 148}
( segid "UBI " and resid 14 and name HG2%)
(( segid "UBI " and resid 14 and name HN ))
3.400 1.500 1.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.15856E-02 ppm1 8.742 ppm2 1.079 CV 1
OR { 148}
(( segid "UBI " and resid 13 and name HG11))
(( segid "UBI " and resid 14 and name HN ))
ASSI { 157}
(( segid "UBI " and resid 2 and name HG1 ))
(( segid "UBI " and resid 15 and name HN ))
4.400 2.400 1.600 peak 157 spectrum 1 weight 0.10000E+01 volume 0.21053E-03 ppm1 8.693 ppm2 2.205 CV 1
OR { 157}
(( segid "UBI " and resid 16 and name HG2 ))
(( segid "UBI " and resid 15 and name HN ))
ASSI { 162}
(( segid "UBI " and resid 3 and name HG12))
(( segid "UBI " and resid 15 and name HN ))
3.600 1.600 1.600 peak 162 spectrum 1 weight 0.10000E+01 volume 0.80297E-03 ppm1 8.695 ppm2 0.751 CV 1
OR { 162}
( segid "UBI " and resid 15 and name HD1%)
(( segid "UBI " and resid 15 and name HN ))
ASSI { 163}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 15 and name HN ))
3.300 1.400 1.400 peak 163 spectrum 1 weight 0.10000E+01 volume 0.12498E-02 ppm1 8.694 ppm2 0.679 CV 1
OR { 163}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 15 and name HN ))
ASSI { 173}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 16 and name HN ))
2.900 1.000 1.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.34164E-02 ppm1 8.102 ppm2 0.704 CV 1
OR { 173}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 26 and name HN ))
ASSI { 205}
( segid "UBI " and resid 56 and name HD2%)
(( segid "UBI " and resid 20 and name HN ))
4.600 2.700 1.400 peak 205 spectrum 1 weight 0.10000E+01 volume 0.11300E-03 ppm1 7.280 ppm2 0.704 CV 1
OR { 205}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 20 and name HN ))
ASSI { 218}
(( segid "UBI " and resid 18 and name HG1 ))
(( segid "UBI " and resid 21 and name HN ))
4.100 2.100 1.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.40880E-03 ppm1 7.847 ppm2 2.311 CV 1
OR { 218}
(( segid "UBI " and resid 17 and name HB ))
(( segid "UBI " and resid 21 and name HN ))
ASSI { 222}
( segid "UBI " and resid 56 and name HD2%)
(( segid "UBI " and resid 21 and name HN ))
3.400 1.500 1.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.72417E-03 ppm1 7.845 ppm2 0.703 CV 1
OR { 222}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 21 and name HN ))
ASSI { 229}
(( segid "UBI " and resid 25 and name HA ))
(( segid "UBI " and resid 22 and name HN ))
4.400 2.400 1.600 peak 229 spectrum 1 weight 0.10000E+01 volume 0.23419E-03 ppm1 7.972 ppm2 4.460 CV 1
OR { 229}
(( segid "UBI " and resid 55 and name HB ))
(( segid "UBI " and resid 22 and name HN ))
ASSI { 237}
(( segid "UBI " and resid 25 and name HN ))
(( segid "UBI " and resid 23 and name HN ))
4.400 2.400 1.600 peak 237 spectrum 1 weight 0.10000E+01 volume 0.22396E-03 ppm1 8.677 ppm2 7.989 CV 1
OR { 237}
(( segid "UBI " and resid 22 and name HN ))
(( segid "UBI " and resid 23 and name HN ))
ASSI { 246}
(( segid "UBI " and resid 23 and name HG11))
(( segid "UBI " and resid 23 and name HN ))
3.700 1.700 1.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.17725E-02 ppm1 8.676 ppm2 1.255 CV 1
OR { 246}
( segid "UBI " and resid 22 and name HG2%)
(( segid "UBI " and resid 23 and name HN ))
ASSI { 261}
(( segid "UBI " and resid 21 and name HA ))
(( segid "UBI " and resid 25 and name HN ))
5.600 3.900 0.400 peak 261 spectrum 1 weight 0.10000E+01 volume 0.72417E-04 ppm1 8.013 ppm2 4.635 CV 1
OR { 261}
(( segid "UBI " and resid 27 and name HA ))
(( segid "UBI " and resid 25 and name HN ))
ASSI { 282}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 16 and name HN ))
3.100 1.200 1.200 peak 282 spectrum 1 weight 0.10000E+01 volume 0.26339E-02 ppm1 8.118 ppm2 0.658 CV 1
OR { 282}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 26 and name HN ))
OR { 282}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 26 and name HN ))
ASSI { 283}
(( segid "UBI " and resid 28 and name HN ))
(( segid "UBI " and resid 27 and name HN ))
2.500 0.800 0.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.44968E-02 ppm1 8.537 ppm2 8.133 CV 1
OR { 283}
(( segid "UBI " and resid 26 and name HN ))
(( segid "UBI " and resid 27 and name HN ))
ASSI { 284}
(( segid "UBI " and resid 25 and name HN ))
(( segid "UBI " and resid 27 and name HN ))
3.400 1.500 1.500 peak 284 spectrum 1 weight 0.10000E+01 volume 0.86144E-03 ppm1 8.538 ppm2 8.006 CV 1
OR { 284}
(( segid "UBI " and resid 29 and name HN ))
(( segid "UBI " and resid 27 and name HN ))
ASSI { 290}
(( segid "UBI " and resid 27 and name HE1 ))
(( segid "UBI " and resid 27 and name HN ))
4.400 2.500 1.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.26047E-03 ppm1 8.536 ppm2 2.593 CV 1
OR { 290}
(( segid "UBI " and resid 24 and name HB1 ))
(( segid "UBI " and resid 27 and name HN ))
OR { 290}
(( segid "UBI " and resid 24 and name HB2 ))
(( segid "UBI " and resid 27 and name HN ))
ASSI { 307}
(( segid "UBI " and resid 26 and name HB ))
(( segid "UBI " and resid 28 and name HN ))
4.700 2.800 1.300 peak 307 spectrum 1 weight 0.10000E+01 volume 0.19652E-03 ppm1 8.149 ppm2 2.310 CV 1
OR { 307}
(( segid "UBI " and resid 30 and name HB ))
(( segid "UBI " and resid 28 and name HN ))
ASSI { 312}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 28 and name HN ))
4.500 2.500 1.500 peak 312 spectrum 1 weight 0.10000E+01 volume 0.23331E-03 ppm1 8.145 ppm2 0.730 CV 1
OR { 312}
( segid "UBI " and resid 15 and name HD1%)
(( segid "UBI " and resid 28 and name HN ))
ASSI { 313}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 28 and name HN ))
4.800 2.900 1.200 peak 313 spectrum 1 weight 0.10000E+01 volume 0.15943E-03 ppm1 8.149 ppm2 0.661 CV 1
OR { 313}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 28 and name HN ))
OR { 313}
(( segid "UBI " and resid 30 and name HG12))
(( segid "UBI " and resid 28 and name HN ))
OR { 313}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 28 and name HN ))
ASSI { 317}
(( segid "UBI " and resid 29 and name HA ))
(( segid "UBI " and resid 29 and name HN ))
2.700 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.34748E-02 ppm1 7.998 ppm2 4.175 CV 1
OR { 317}
(( segid "UBI " and resid 28 and name HA ))
(( segid "UBI " and resid 29 and name HN ))
ASSI { 320}
(( segid "UBI " and resid 30 and name HB ))
(( segid "UBI " and resid 29 and name HN ))
4.400 2.400 1.600 peak 320 spectrum 1 weight 0.10000E+01 volume 0.30660E-03 ppm1 8.001 ppm2 2.311 CV 1
OR { 320}
(( segid "UBI " and resid 26 and name HB ))
(( segid "UBI " and resid 29 and name HN ))
ASSI { 325}
(( segid "UBI " and resid 29 and name HD2 ))
(( segid "UBI " and resid 29 and name HN ))
3.700 1.700 1.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.90810E-03 ppm1 7.997 ppm2 1.396 CV 1
OR { 325}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 29 and name HN ))
ASSI { 326}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 29 and name HN ))
3.700 1.700 1.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.90810E-03 ppm1 7.998 ppm2 0.661 CV 1
OR { 326}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 29 and name HN ))
OR { 326}
(( segid "UBI " and resid 30 and name HG12))
(( segid "UBI " and resid 29 and name HN ))
OR { 326}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 29 and name HN ))
ASSI { 328}
(( segid "UBI " and resid 28 and name HN ))
(( segid "UBI " and resid 30 and name HN ))
3.400 1.400 1.400 peak 328 spectrum 1 weight 0.10000E+01 volume 0.98986E-03 ppm1 8.327 ppm2 8.146 CV 1
OR { 328}
(( segid "UBI " and resid 32 and name HN ))
(( segid "UBI " and resid 30 and name HN ))
ASSI { 338}
(( segid "UBI " and resid 29 and name HG1 ))
(( segid "UBI " and resid 30 and name HN ))
3.900 1.900 1.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.69205E-03 ppm1 8.328 ppm2 1.714 CV 1
OR { 338}
(( segid "UBI " and resid 27 and name HD1 ))
(( segid "UBI " and resid 30 and name HN ))
ASSI { 339}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 30 and name HN ))
4.500 2.500 1.500 peak 339 spectrum 1 weight 0.10000E+01 volume 0.31828E-03 ppm1 8.324 ppm2 1.561 CV 1
OR { 339}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 30 and name HN ))
ASSI { 340}
(( segid "UBI " and resid 15 and name HG ))
(( segid "UBI " and resid 30 and name HN ))
4.200 2.200 1.800 peak 340 spectrum 1 weight 0.10000E+01 volume 0.27594E-03 ppm1 8.325 ppm2 1.380 CV 1
OR { 340}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 30 and name HN ))
ASSI { 342}
(( segid "UBI " and resid 30 and name HG12))
(( segid "UBI " and resid 30 and name HN ))
2.800 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.44384E-02 ppm1 8.325 ppm2 0.663 CV 1
OR { 342}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 30 and name HN ))
OR { 342}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 30 and name HN ))
ASSI { 349}
(( segid "UBI " and resid 28 and name HA ))
(( segid "UBI " and resid 31 and name HN ))
3.200 1.200 1.200 peak 349 spectrum 1 weight 0.10000E+01 volume 0.13578E-02 ppm1 8.470 ppm2 4.176 CV 1
OR { 349}
(( segid "UBI " and resid 29 and name HA ))
(( segid "UBI " and resid 31 and name HN ))
ASSI { 355}
(( segid "UBI " and resid 38 and name HG1 ))
(( segid "UBI " and resid 31 and name HN ))
4.400 2.500 1.600 peak 355 spectrum 1 weight 0.10000E+01 volume 0.25317E-03 ppm1 8.471 ppm2 1.577 CV 1
OR { 355}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 31 and name HN ))
OR { 355}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 31 and name HN ))
OR { 355}
(( segid "UBI " and resid 41 and name HG2 ))
(( segid "UBI " and resid 31 and name HN ))
OR { 355}
(( segid "UBI " and resid 27 and name HG1 ))
(( segid "UBI " and resid 31 and name HN ))
ASSI { 361}
(( segid "UBI " and resid 32 and name HA ))
(( segid "UBI " and resid 32 and name HN ))
2.500 0.800 0.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.44676E-02 ppm1 8.130 ppm2 4.288 CV 1
OR { 361}
(( segid "UBI " and resid 52 and name HA ))
(( segid "UBI " and resid 52 and name HN ))
ASSI { 362}
(( segid "UBI " and resid 29 and name HA ))
(( segid "UBI " and resid 32 and name HN ))
2.800 1.000 1.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.28879E-02 ppm1 8.130 ppm2 4.178 CV 1
OR { 362}
(( segid "UBI " and resid 28 and name HA ))
(( segid "UBI " and resid 32 and name HN ))
ASSI { 370}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 32 and name HN ))
2.900 1.100 1.100 peak 370 spectrum 1 weight 0.10000E+01 volume 0.17374E-02 ppm1 8.131 ppm2 1.961 CV 1
OR { 370}
(( segid "UBI " and resid 51 and name HB2 ))
(( segid "UBI " and resid 52 and name HN ))
ASSI { 371}
(( segid "UBI " and resid 54 and name HG2 ))
(( segid "UBI " and resid 52 and name HN ))
4.400 2.400 1.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.23360E-03 ppm1 8.134 ppm2 1.558 CV 1
OR { 371}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 32 and name HN ))
OR { 371}
(( segid "UBI " and resid 33 and name HG1 ))
(( segid "UBI " and resid 32 and name HN ))
OR { 371}
(( segid "UBI " and resid 27 and name HG1 ))
(( segid "UBI " and resid 52 and name HN ))
OR { 371}
(( segid "UBI " and resid 33 and name HG2 ))
(( segid "UBI " and resid 32 and name HN ))
ASSI { 375}
(( segid "UBI " and resid 33 and name HA ))
(( segid "UBI " and resid 33 and name HN ))
2.700 0.900 0.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.36208E-02 ppm1 7.456 ppm2 4.277 CV 1
OR { 375}
(( segid "UBI " and resid 32 and name HA ))
(( segid "UBI " and resid 33 and name HN ))
ASSI { 383}
(( segid "UBI " and resid 33 and name HD1 ))
(( segid "UBI " and resid 33 and name HN ))
3.700 1.700 1.700 peak 383 spectrum 1 weight 0.10000E+01 volume 0.92565E-03 ppm1 7.457 ppm2 1.677 CV 1
OR { 383}
(( segid "UBI " and resid 34 and name HB2 ))
(( segid "UBI " and resid 33 and name HN ))
OR { 383}
(( segid "UBI " and resid 33 and name HD2 ))
(( segid "UBI " and resid 33 and name HN ))
ASSI { 385}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 33 and name HN ))
3.700 1.700 1.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.68621E-03 ppm1 7.456 ppm2 0.681 CV 1
OR { 385}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 33 and name HN ))
OR { 385}
(( segid "UBI " and resid 30 and name HG12))
(( segid "UBI " and resid 33 and name HN ))
ASSI { 396}
(( segid "UBI " and resid 33 and name HB1 ))
(( segid "UBI " and resid 34 and name HN ))
2.600 0.900 0.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.28908E-02 ppm1 8.695 ppm2 2.001 CV 1
OR { 396}
(( segid "UBI " and resid 34 and name HG2 ))
(( segid "UBI " and resid 34 and name HN ))
ASSI { 404}
(( segid "UBI " and resid 32 and name HA ))
(( segid "UBI " and resid 35 and name HN ))
3.800 1.800 1.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.45552E-03 ppm1 8.524 ppm2 4.283 CV 1
OR { 404}
(( segid "UBI " and resid 33 and name HA ))
(( segid "UBI " and resid 35 and name HN ))
ASSI { 409}
(( segid "UBI " and resid 33 and name HB1 ))
(( segid "UBI " and resid 35 and name HN ))
4.200 2.200 1.800 peak 409 spectrum 1 weight 0.10000E+01 volume 0.46720E-03 ppm1 8.519 ppm2 1.995 CV 1
OR { 409}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 35 and name HN ))
ASSI { 421}
(( segid "UBI " and resid 31 and name HG1 ))
(( segid "UBI " and resid 36 and name HN ))
3.400 1.500 1.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.88772E-03 ppm1 6.138 ppm2 2.246 CV 1
OR { 421}
(( segid "UBI " and resid 34 and name HB1 ))
(( segid "UBI " and resid 36 and name HN ))
ASSI { 422}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 36 and name HN ))
4.100 2.100 1.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.72417E-03 ppm1 6.137 ppm2 1.972 CV 1
OR { 422}
(( segid "UBI " and resid 37 and name HG1 ))
(( segid "UBI " and resid 36 and name HN ))
ASSI { 438}
(( segid "UBI " and resid 37 and name HB1 ))
(( segid "UBI " and resid 39 and name HN ))
3.500 1.500 1.500 peak 438 spectrum 1 weight 0.10000E+01 volume 0.98695E-03 ppm1 8.501 ppm2 2.382 CV 1
OR { 438}
(( segid "UBI " and resid 40 and name HB1 ))
(( segid "UBI " and resid 39 and name HN ))
ASSI { 441}
(( segid "UBI " and resid 38 and name HB2 ))
(( segid "UBI " and resid 39 and name HN ))
2.500 0.800 0.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.38836E-02 ppm1 8.501 ppm2 1.979 CV 1
OR { 441}
(( segid "UBI " and resid 37 and name HB2 ))
(( segid "UBI " and resid 39 and name HN ))
ASSI { 445}
(( segid "UBI " and resid 40 and name HA ))
(( segid "UBI " and resid 40 and name HN ))
2.700 0.900 0.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.30953E-02 ppm1 7.816 ppm2 4.386 CV 1
OR { 445}
(( segid "UBI " and resid 39 and name HA ))
(( segid "UBI " and resid 40 and name HN ))
ASSI { 446}
(( segid "UBI " and resid 41 and name HA ))
(( segid "UBI " and resid 40 and name HN ))
4.300 2.300 1.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.38252E-03 ppm1 7.816 ppm2 4.208 CV 1
OR { 446}
(( segid "UBI " and resid 37 and name HD1 ))
(( segid "UBI " and resid 40 and name HN ))
ASSI { 452}
(( segid "UBI " and resid 40 and name HB1 ))
(( segid "UBI " and resid 40 and name HN ))
2.700 0.900 0.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.48472E-02 ppm1 7.817 ppm2 2.392 CV 1
OR { 452}
(( segid "UBI " and resid 40 and name HG1 ))
(( segid "UBI " and resid 40 and name HN ))
OR { 452}
(( segid "UBI " and resid 37 and name HB1 ))
(( segid "UBI " and resid 40 and name HN ))
ASSI { 466}
(( segid "UBI " and resid 23 and name HG12))
(( segid "UBI " and resid 51 and name HN ))
4.000 2.000 2.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.52560E-03 ppm1 8.388 ppm2 1.812 CV 1
OR { 466}
(( segid "UBI " and resid 54 and name HG1 ))
(( segid "UBI " and resid 51 and name HN ))
ASSI { 472}
(( segid "UBI " and resid 40 and name HA ))
(( segid "UBI " and resid 41 and name HN ))
3.000 1.100 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.17812E-02 ppm1 7.475 ppm2 4.388 CV 1
OR { 472}
(( segid "UBI " and resid 39 and name HA ))
(( segid "UBI " and resid 41 and name HN ))
ASSI { 477}
(( segid "UBI " and resid 40 and name HB2 ))
(( segid "UBI " and resid 41 and name HN ))
2.700 0.900 0.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.47597E-02 ppm1 7.475 ppm2 1.832 CV 1
OR { 477}
(( segid "UBI " and resid 41 and name HB2 ))
(( segid "UBI " and resid 41 and name HN ))
ASSI { 481}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 41 and name HN ))
3.600 1.700 1.700 peak 481 spectrum 1 weight 0.10000E+01 volume 0.57232E-03 ppm1 7.473 ppm2 0.810 CV 1
OR { 481}
( segid "UBI " and resid 69 and name HD2%)
(( segid "UBI " and resid 41 and name HN ))
ASSI { 487}
(( segid "UBI " and resid 42 and name HB1 ))
(( segid "UBI " and resid 43 and name HN ))
3.500 1.600 1.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.86726E-03 ppm1 8.784 ppm2 1.708 CV 1
OR { 487}
(( segid "UBI " and resid 27 and name HD2 ))
(( segid "UBI " and resid 43 and name HN ))
ASSI { 488}
(( segid "UBI " and resid 43 and name HG ))
(( segid "UBI " and resid 43 and name HN ))
2.900 1.000 1.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.31244E-02 ppm1 8.786 ppm2 1.432 CV 1
OR { 488}
(( segid "UBI " and resid 42 and name HG2 ))
(( segid "UBI " and resid 43 and name HN ))
OR { 488}
(( segid "UBI " and resid 42 and name HG1 ))
(( segid "UBI " and resid 43 and name HN ))
ASSI { 489}
(( segid "UBI " and resid 43 and name HB1 ))
(( segid "UBI " and resid 43 and name HN ))
2.800 1.000 1.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.46720E-02 ppm1 8.784 ppm2 1.533 CV 1
OR { 489}
(( segid "UBI " and resid 42 and name HB2 ))
(( segid "UBI " and resid 43 and name HN ))
ASSI { 492}
(( segid "UBI " and resid 45 and name HN ))
(( segid "UBI " and resid 44 and name HN ))
4.100 2.100 1.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.49932E-03 ppm1 9.151 ppm2 8.795 CV 1
OR { 492}
(( segid "UBI " and resid 43 and name HN ))
(( segid "UBI " and resid 44 and name HN ))
ASSI { 499}
(( segid "UBI " and resid 43 and name HG ))
(( segid "UBI " and resid 44 and name HN ))
4.100 2.100 1.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.42924E-03 ppm1 9.149 ppm2 1.425 CV 1
OR { 499}
(( segid "UBI " and resid 50 and name HG ))
(( segid "UBI " and resid 44 and name HN ))
ASSI { 501}
(( segid "UBI " and resid 44 and name HG12))
(( segid "UBI " and resid 44 and name HN ))
3.600 1.600 1.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.12702E-02 ppm1 9.156 ppm2 1.107 CV 1
OR { 501}
(( segid "UBI " and resid 43 and name HB2 ))
(( segid "UBI " and resid 44 and name HN ))
ASSI { 511}
(( segid "UBI " and resid 50 and name HG ))
(( segid "UBI " and resid 45 and name HN ))
3.400 1.400 1.400 peak 511 spectrum 1 weight 0.10000E+01 volume 0.10045E-02 ppm1 8.800 ppm2 1.438 CV 1
OR { 511}
(( segid "UBI " and resid 48 and name HG1 ))
(( segid "UBI " and resid 45 and name HN ))
OR { 511}
(( segid "UBI " and resid 48 and name HG2 ))
(( segid "UBI " and resid 45 and name HN ))
ASSI { 549}
(( segid "UBI " and resid 45 and name HN ))
(( segid "UBI " and resid 50 and name HN ))
3.500 1.500 1.500 peak 549 spectrum 1 weight 0.10000E+01 volume 0.10161E-02 ppm1 8.573 ppm2 8.791 CV 1
OR { 549}
(( segid "UBI " and resid 43 and name HN ))
(( segid "UBI " and resid 50 and name HN ))
ASSI { 564}
(( segid "UBI " and resid 52 and name HB1 ))
(( segid "UBI " and resid 52 and name HN ))
2.600 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.52852E-02 ppm1 8.099 ppm2 2.446 CV 1
OR { 564}
(( segid "UBI " and resid 23 and name HB ))
(( segid "UBI " and resid 52 and name HN ))
ASSI { 565}
(( segid "UBI " and resid 51 and name HG1 ))
(( segid "UBI " and resid 52 and name HN ))
3.900 1.900 1.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.81761E-03 ppm1 8.100 ppm2 2.317 CV 1
OR { 565}
(( segid "UBI " and resid 30 and name HB ))
(( segid "UBI " and resid 32 and name HN ))
ASSI { 583}
(( segid "UBI " and resid 23 and name HG11))
(( segid "UBI " and resid 54 and name HN ))
4.100 2.100 1.900 peak 583 spectrum 1 weight 0.10000E+01 volume 0.43801E-03 ppm1 7.366 ppm2 1.261 CV 1
OR { 583}
( segid "UBI " and resid 22 and name HG2%)
(( segid "UBI " and resid 54 and name HN ))
ASSI { 595}
(( segid "UBI " and resid 54 and name HG1 ))
(( segid "UBI " and resid 55 and name HN ))
4.000 2.000 2.000 peak 595 spectrum 1 weight 0.10000E+01 volume 0.45552E-03 ppm1 8.809 ppm2 1.800 CV 1
OR { 595}
(( segid "UBI " and resid 23 and name HG12))
(( segid "UBI " and resid 55 and name HN ))
ASSI { 625}
(( segid "UBI " and resid 60 and name HN ))
(( segid "UBI " and resid 58 and name HN ))
3.300 1.400 1.400 peak 625 spectrum 1 weight 0.10000E+01 volume 0.11417E-02 ppm1 7.905 ppm2 8.149 CV 1
OR { 625}
(( segid "UBI " and resid 56 and name HN ))
(( segid "UBI " and resid 58 and name HN ))
ASSI { 630}
(( segid "UBI " and resid 58 and name HA ))
(( segid "UBI " and resid 58 and name HN ))
2.800 0.900 0.900 peak 630 spectrum 1 weight 0.10000E+01 volume 0.29784E-02 ppm1 7.906 ppm2 4.236 CV 1
OR { 630}
(( segid "UBI " and resid 57 and name HA ))
(( segid "UBI " and resid 58 and name HN ))
ASSI { 641}
(( segid "UBI " and resid 58 and name HA ))
(( segid "UBI " and resid 59 and name HN ))
3.000 1.100 1.100 peak 641 spectrum 1 weight 0.10000E+01 volume 0.16236E-02 ppm1 7.215 ppm2 4.233 CV 1
OR { 641}
(( segid "UBI " and resid 57 and name HA ))
(( segid "UBI " and resid 59 and name HN ))
ASSI { 648}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 59 and name HN ))
4.500 2.600 1.500 peak 648 spectrum 1 weight 0.10000E+01 volume 0.23711E-03 ppm1 7.217 ppm2 0.564 CV 1
OR { 648}
( segid "UBI " and resid 56 and name HD1%)
(( segid "UBI " and resid 59 and name HN ))
ASSI { 654}
(( segid "UBI " and resid 57 and name HA ))
(( segid "UBI " and resid 60 and name HN ))
2.700 0.900 0.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.33580E-02 ppm1 8.138 ppm2 4.219 CV 1
OR { 654}
(( segid "UBI " and resid 58 and name HA ))
(( segid "UBI " and resid 60 and name HN ))
ASSI { 673}
( segid "UBI " and resid 56 and name HD1%)
(( segid "UBI " and resid 61 and name HN ))
4.500 2.500 1.500 peak 673 spectrum 1 weight 0.10000E+01 volume 0.26455E-03 ppm1 7.281 ppm2 0.576 CV 1
OR { 673}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 61 and name HN ))
OR { 673}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 61 and name HN ))
ASSI { 676}
(( segid "UBI " and resid 61 and name HN ))
(( segid "UBI " and resid 62 and name HN ))
4.100 2.100 1.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.43801E-03 ppm1 7.650 ppm2 7.295 CV 1
OR { 676}
( segid "UBI " and resid 45 and name HD% )
(( segid "UBI " and resid 62 and name HN ))
ASSI { 695}
(( segid "UBI " and resid 63 and name HB2 ))
(( segid "UBI " and resid 63 and name HN ))
2.600 0.800 0.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.54312E-02 ppm1 8.441 ppm2 1.854 CV 1
OR { 695}
(( segid "UBI " and resid 62 and name HB2 ))
(( segid "UBI " and resid 63 and name HN ))
ASSI { 705}
(( segid "UBI " and resid 63 and name HB1 ))
(( segid "UBI " and resid 64 and name HN ))
3.400 1.400 1.400 peak 705 spectrum 1 weight 0.10000E+01 volume 0.14833E-02 ppm1 9.302 ppm2 2.004 CV 1
OR { 705}
(( segid "UBI " and resid 1 and name HG1 ))
(( segid "UBI " and resid 64 and name HN ))
ASSI { 719}
(( segid "UBI " and resid 64 and name HG1 ))
(( segid "UBI " and resid 65 and name HN ))
3.700 1.700 1.700 peak 719 spectrum 1 weight 0.10000E+01 volume 0.36208E-03 ppm1 7.703 ppm2 2.217 CV 1
OR { 719}
(( segid "UBI " and resid 64 and name HG2 ))
(( segid "UBI " and resid 65 and name HN ))
OR { 719}
(( segid "UBI " and resid 62 and name HB1 ))
(( segid "UBI " and resid 65 and name HN ))
OR { 719}
(( segid "UBI " and resid 62 and name HG1 ))
(( segid "UBI " and resid 65 and name HN ))
ASSI { 720}
(( segid "UBI " and resid 62 and name HB2 ))
(( segid "UBI " and resid 65 and name HN ))
4.800 2.900 1.200 peak 720 spectrum 1 weight 0.10000E+01 volume 0.13607E-03 ppm1 7.701 ppm2 1.864 CV 1
OR { 720}
(( segid "UBI " and resid 63 and name HB2 ))
(( segid "UBI " and resid 65 and name HN ))
OR { 720}
(( segid "UBI " and resid 2 and name HB2 ))
(( segid "UBI " and resid 65 and name HN ))
ASSI { 752}
( segid "UBI " and resid 67 and name HD2%)
(( segid "UBI " and resid 68 and name HN ))
3.200 1.300 1.300 peak 752 spectrum 1 weight 0.10000E+01 volume 0.11914E-02 ppm1 9.237 ppm2 0.643 CV 1
OR { 752}
( segid "UBI " and resid 44 and name HG2%)
(( segid "UBI " and resid 68 and name HN ))
OR { 752}
( segid "UBI " and resid 67 and name HD1%)
(( segid "UBI " and resid 68 and name HN ))
OR { 752}
( segid "UBI " and resid 44 and name HD1%)
(( segid "UBI " and resid 68 and name HN ))
ASSI { 753}
(( segid "UBI " and resid 8 and name HN ))
(( segid "UBI " and resid 69 and name HN ))
4.200 2.200 1.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.39128E-03 ppm1 8.336 ppm2 9.236 CV 1
OR { 753}
(( segid "UBI " and resid 68 and name HN ))
(( segid "UBI " and resid 69 and name HN ))
ASSI { 754}
(( segid "UBI " and resid 70 and name HN ))
(( segid "UBI " and resid 69 and name HN ))
3.900 1.900 1.900 peak 754 spectrum 1 weight 0.10000E+01 volume 0.51685E-03 ppm1 8.336 ppm2 9.165 CV 1
OR { 754}
(( segid "UBI " and resid 44 and name HN ))
(( segid "UBI " and resid 69 and name HN ))
ASSI { 756}
(( segid "UBI " and resid 43 and name HA ))
(( segid "UBI " and resid 69 and name HN ))
4.000 2.000 2.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.39128E-03 ppm1 8.336 ppm2 5.323 CV 1
OR { 756}
(( segid "UBI " and resid 6 and name HA ))
(( segid "UBI " and resid 69 and name HN ))
ASSI { 762}
(( segid "UBI " and resid 69 and name HG ))
(( segid "UBI " and resid 69 and name HN ))
3.600 1.600 1.600 peak 762 spectrum 1 weight 0.10000E+01 volume 0.89354E-03 ppm1 8.338 ppm2 1.264 CV 1
OR { 762}
(( segid "UBI " and resid 6 and name HG2 ))
(( segid "UBI " and resid 69 and name HN ))
OR { 762}
(( segid "UBI " and resid 6 and name HB2 ))
(( segid "UBI " and resid 69 and name HN ))
ASSI { 766}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 69 and name HN ))
3.200 1.300 1.300 peak 766 spectrum 1 weight 0.10000E+01 volume 0.19184E-02 ppm1 8.340 ppm2 0.659 CV 1
OR { 766}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 69 and name HN ))
ASSI { 772}
(( segid "UBI " and resid 42 and name HB2 ))
(( segid "UBI " and resid 70 and name HN ))
3.700 1.700 1.700 peak 772 spectrum 1 weight 0.10000E+01 volume 0.58400E-03 ppm1 9.163 ppm2 1.527 CV 1
OR { 772}
(( segid "UBI " and resid 69 and name HB1 ))
(( segid "UBI " and resid 70 and name HN ))
ASSI { 776}
( segid "UBI " and resid 69 and name HD2%)
(( segid "UBI " and resid 70 and name HN ))
2.700 0.900 0.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.40004E-02 ppm1 9.158 ppm2 0.797 CV 1
OR { 776}
( segid "UBI " and resid 70 and name HG1%)
(( segid "UBI " and resid 70 and name HN ))
ASSI { 777}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 70 and name HN ))
3.500 1.600 1.600 peak 777 spectrum 1 weight 0.10000E+01 volume 0.87891E-03 ppm1 9.160 ppm2 0.668 CV 1
OR { 777}
( segid "UBI " and resid 44 and name HD1%)
(( segid "UBI " and resid 70 and name HN ))
ASSI { 785}
(( segid "UBI " and resid 72 and name HB1 ))
(( segid "UBI " and resid 72 and name HN ))
2.400 0.700 0.700 peak 785 spectrum 1 weight 0.10000E+01 volume 0.67160E-02 ppm1 8.569 ppm2 1.495 CV 1
OR { 785}
(( segid "UBI " and resid 71 and name HB2 ))
(( segid "UBI " and resid 72 and name HN ))
ASSI { 786}
( segid "UBI " and resid 71 and name HD2%)
(( segid "UBI " and resid 72 and name HN ))
3.500 1.500 1.500 peak 786 spectrum 1 weight 0.10000E+01 volume 0.56065E-03 ppm1 8.570 ppm2 0.914 CV 1
OR { 786}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 72 and name HN ))
OR { 786}
( segid "UBI " and resid 70 and name HG2%)
(( segid "UBI " and resid 72 and name HN ))
ASSI { 787}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 72 and name HN ))
3.200 1.300 1.300 peak 787 spectrum 1 weight 0.10000E+01 volume 0.91983E-03 ppm1 8.570 ppm2 0.816 CV 1
OR { 787}
( segid "UBI " and resid 70 and name HG1%)
(( segid "UBI " and resid 72 and name HN ))
OR { 787}
( segid "UBI " and resid 69 and name HD2%)
(( segid "UBI " and resid 72 and name HN ))
ASSI { 790}
(( segid "UBI " and resid 73 and name HG ))
(( segid "UBI " and resid 73 and name HN ))
3.300 1.300 1.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.11709E-02 ppm1 8.430 ppm2 1.756 CV 1
OR { 790}
(( segid "UBI " and resid 72 and name HB2 ))
(( segid "UBI " and resid 73 and name HN ))
ASSI { 792}
(( segid "UBI " and resid 73 and name HB1 ))
(( segid "UBI " and resid 73 and name HN ))
2.700 0.900 0.900 peak 792 spectrum 1 weight 0.10000E+01 volume 0.41756E-02 ppm1 8.431 ppm2 1.520 CV 1
OR { 792}
(( segid "UBI " and resid 72 and name HG1 ))
(( segid "UBI " and resid 73 and name HN ))
OR { 792}
(( segid "UBI " and resid 72 and name HB1 ))
(( segid "UBI " and resid 73 and name HN ))
ASSI { 797}
(( segid "UBI " and resid 74 and name HG2 ))
(( segid "UBI " and resid 74 and name HN ))
3.000 1.100 1.100 peak 797 spectrum 1 weight 0.10000E+01 volume 0.22951E-02 ppm1 8.416 ppm2 1.621 CV 1
OR { 797}
(( segid "UBI " and resid 73 and name HB2 ))
(( segid "UBI " and resid 74 and name HN ))
OR { 797}
(( segid "UBI " and resid 74 and name HG1 ))
(( segid "UBI " and resid 74 and name HN ))
ASSI { 818}
(( segid "UBI " and resid 70 and name HB ))
(( segid "UBI " and resid 71 and name HN ))
3.400 1.400 1.400 peak 818 spectrum 1 weight 0.10000E+01 volume 0.12527E-02 ppm1 8.123 ppm2 1.883 CV 1
OR { 818}
(( segid "UBI " and resid 8 and name HG ))
(( segid "UBI " and resid 71 and name HN ))
ASSI { 822}
( segid "UBI " and resid 71 and name HD2%)
(( segid "UBI " and resid 71 and name HN ))
2.800 1.000 1.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.32412E-02 ppm1 8.124 ppm2 0.898 CV 1
OR { 822}
( segid "UBI " and resid 70 and name HG2%)
(( segid "UBI " and resid 71 and name HN ))
ASSI { 823}
( segid "UBI " and resid 70 and name HG1%)
(( segid "UBI " and resid 71 and name HN ))
2.900 1.100 1.100 peak 823 spectrum 1 weight 0.10000E+01 volume 0.20294E-02 ppm1 8.123 ppm2 0.808 CV 1
OR { 823}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 71 and name HN ))
ASSI { 840}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 26 and name HN ))
4.400 2.400 1.600 peak 840 spectrum 1 weight 0.10000E+01 volume 0.32120E-03 ppm1 8.116 ppm2 0.559 CV 1
OR { 840}
( segid "UBI " and resid 3 and name HD1%)
(( segid "UBI " and resid 26 and name HN ))
ASSI { 853}
(( segid "UBI " and resid 48 and name HN ))
(( segid "UBI " and resid 49 and name HN ))
4.600 2.700 1.400 peak 853 spectrum 1 weight 0.10000E+01 volume 0.20090E-03 ppm1 8.629 ppm2 7.952 CV 1
OR { 853}
(( segid "UBI " and resid 22 and name HN ))
(( segid "UBI " and resid 23 and name HN ))
ASSI { 859}
(( segid "UBI " and resid 3 and name HB ))
(( segid "UBI " and resid 64 and name HN ))
4.100 2.100 1.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.49640E-03 ppm1 9.298 ppm2 1.694 CV 1
OR { 859}
(( segid "UBI " and resid 63 and name HD2 ))
(( segid "UBI " and resid 64 and name HN ))
OR { 859}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 64 and name HN ))
OR { 859}
(( segid "UBI " and resid 63 and name HD1 ))
(( segid "UBI " and resid 64 and name HN ))
ASSI { 861}
(( segid "UBI " and resid 63 and name HB1 ))
(( segid "UBI " and resid 65 and name HN ))
4.700 2.700 1.300 peak 861 spectrum 1 weight 0.10000E+01 volume 0.20353E-03 ppm1 7.696 ppm2 1.997 CV 1
OR { 861}
(( segid "UBI " and resid 1 and name HG1 ))
(( segid "UBI " and resid 65 and name HN ))
ASSI { 872}
(( segid "UBI " and resid 27 and name HA ))
(( segid "UBI " and resid 41 and name HE21))
3.900 1.900 1.900 peak 872 spectrum 1 weight 0.10000E+01 volume 0.41172E-03 ppm1 6.067 ppm2 4.617 CV 1
OR { 872}
(( segid "UBI " and resid 37 and name HA ))
(( segid "UBI " and resid 41 and name HE21))
ASSI { 875}
(( segid "UBI " and resid 41 and name HG1 ))
(( segid "UBI " and resid 41 and name HE22))
3.400 1.400 1.400 peak 875 spectrum 1 weight 0.10000E+01 volume 0.11680E-02 ppm1 6.473 ppm2 2.486 CV 1
OR { 875}
(( segid "UBI " and resid 31 and name HB2 ))
(( segid "UBI " and resid 41 and name HE22))
ASSI { 879}
(( segid "UBI " and resid 30 and name HG11))
(( segid "UBI " and resid 41 and name HE22))
3.900 1.900 1.900 peak 879 spectrum 1 weight 0.10000E+01 volume 0.71832E-03 ppm1 6.470 ppm2 1.966 CV 1
OR { 879}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 41 and name HE22))
ASSI { 880}
(( segid "UBI " and resid 38 and name HB2 ))
(( segid "UBI " and resid 41 and name HE21))
4.300 2.300 1.700 peak 880 spectrum 1 weight 0.10000E+01 volume 0.42340E-03 ppm1 6.066 ppm2 1.964 CV 1
OR { 880}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 41 and name HE21))
OR { 880}
(( segid "UBI " and resid 30 and name HG11))
(( segid "UBI " and resid 41 and name HE21))
ASSI { 885}
( segid "UBI " and resid 30 and name HD1%)
(( segid "UBI " and resid 41 and name HE22))
4.100 2.100 1.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.40588E-03 ppm1 6.473 ppm2 0.898 CV 1
OR { 885}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 41 and name HE22))
ASSI { 7}
(( segid "UBI " and resid 48 and name HB2 ))
( segid "UBI " and resid 50 and name HD1%)
3.000 1.100 1.100 peak 7 spectrum 1 weight 0.10000E+01 volume 0.17528E-02 ppm1 -0.183 ppm2 1.848 CV 1
OR { 7}
(( segid "UBI " and resid 23 and name HG12))
( segid "UBI " and resid 50 and name HD1%)
OR { 7}
(( segid "UBI " and resid 48 and name HB1 ))
( segid "UBI " and resid 50 and name HD1%)
ASSI { 11}
( segid "UBI " and resid 45 and name HD% )
( segid "UBI " and resid 50 and name HD1%)
3.200 1.300 1.300 peak 11 spectrum 1 weight 0.10000E+01 volume 0.10773E-02 ppm1 -0.180 ppm2 0.751 CV 1
OR { 11}
( segid "UBI " and resid 43 and name HD1%)
( segid "UBI " and resid 50 and name HD1%)
OR { 11}
( segid "UBI " and resid 43 and name HD2%)
( segid "UBI " and resid 50 and name HD1%)
ASSI { 12}
( segid "UBI " and resid 59 and name HD% )
( segid "UBI " and resid 50 and name HD1%)
2.800 1.000 1.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.19324E-02 ppm1 -0.180 ppm2 0.603 CV 1
OR { 12}
( segid "UBI " and resid 67 and name HD1%)
( segid "UBI " and resid 50 and name HD1%)
ASSI { 20}
( segid "UBI " and resid 1 and name HE% )
( segid "UBI " and resid 17 and name HG2%)
2.900 1.000 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.22060E-02 ppm1 0.410 ppm2 1.658 CV 1
OR { 20}
(( segid "UBI " and resid 56 and name HG ))
( segid "UBI " and resid 17 and name HG2%)
ASSI { 31}
(( segid "UBI " and resid 40 and name HB2 ))
( segid "UBI " and resid 36 and name HG2%)
3.100 1.200 1.200 peak 31 spectrum 1 weight 0.10000E+01 volume 0.22488E-02 ppm1 0.920 ppm2 1.824 CV 1
OR { 31}
(( segid "UBI " and resid 41 and name HB2 ))
( segid "UBI " and resid 36 and name HG2%)
ASSI { 33}
(( segid "UBI " and resid 33 and name HG2 ))
( segid "UBI " and resid 13 and name HG2%)
3.100 1.200 1.200 peak 33 spectrum 1 weight 0.10000E+01 volume 0.12227E-02 ppm1 0.852 ppm2 1.579 CV 1
OR { 33}
(( segid "UBI " and resid 33 and name HG1 ))
( segid "UBI " and resid 13 and name HG2%)
OR { 33}
(( segid "UBI " and resid 11 and name HD1 ))
( segid "UBI " and resid 13 and name HG2%)
ASSI { 48}
(( segid "UBI " and resid 19 and name HA ))
( segid "UBI " and resid 1 and name HE% )
2.600 0.900 0.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.31893E-02 ppm1 1.658 ppm2 3.935 CV 1
OR { 48}
(( segid "UBI " and resid 63 and name HA ))
( segid "UBI " and resid 1 and name HE% )
ASSI { 54}
(( segid "UBI " and resid 17 and name HB ))
( segid "UBI " and resid 1 and name HE% )
4.400 2.400 1.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.19324E-03 ppm1 1.662 ppm2 2.323 CV 1
OR { 54}
(( segid "UBI " and resid 62 and name HG2 ))
( segid "UBI " and resid 1 and name HE% )
ASSI { 56}
(( segid "UBI " and resid 63 and name HB2 ))
( segid "UBI " and resid 1 and name HE% )
3.000 3.000 3.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.12997E-02 ppm1 1.662 ppm2 1.849 CV 1
OR { 56}
(( segid "UBI " and resid 62 and name HB2 ))
( segid "UBI " and resid 1 and name HE% )
OR { 56}
(( segid "UBI " and resid 2 and name HB2 ))
( segid "UBI " and resid 1 and name HE% )
ASSI { 75}
(( segid "UBI " and resid 36 and name HB ))
( segid "UBI " and resid 30 and name HG2%)
2.900 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.18383E-02 ppm1 0.677 ppm2 1.394 CV 1
OR { 75}
(( segid "UBI " and resid 15 and name HG ))
( segid "UBI " and resid 30 and name HG2%)
OR { 75}
(( segid "UBI " and resid 36 and name HG11))
( segid "UBI " and resid 30 and name HG2%)
ASSI { 129}
(( segid "UBI " and resid 34 and name HB2 ))
( segid "UBI " and resid 36 and name HD1%)
3.200 1.200 1.200 peak 129 spectrum 1 weight 0.10000E+01 volume 0.14963E-02 ppm1 0.760 ppm2 1.657 CV 1
OR { 129}
(( segid "UBI " and resid 71 and name HG ))
( segid "UBI " and resid 36 and name HD1%)
ASSI { 132}
(( segid "UBI " and resid 34 and name HG2 ))
( segid "UBI " and resid 36 and name HD1%)
4.000 2.000 2.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.41726E-03 ppm1 0.765 ppm2 2.067 CV 1
OR { 132}
(( segid "UBI " and resid 37 and name HG2 ))
( segid "UBI " and resid 36 and name HD1%)
ASSI { 142}
(( segid "UBI " and resid 32 and name HA ))
(( segid "UBI " and resid 32 and name HB2 ))
2.900 1.000 1.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.18982E-02 ppm1 2.724 ppm2 4.289 CV 1
OR { 142}
(( segid "UBI " and resid 52 and name HA ))
(( segid "UBI " and resid 52 and name HB2 ))
ASSI { 154}
( segid "UBI " and resid 17 and name HG2%)
( segid "UBI " and resid 1 and name HE% )
2.300 2.300 3.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.57543E-02 ppm1 1.655 ppm2 0.411 CV 1
OR { 154}
( segid "UBI " and resid 61 and name HD1%)
( segid "UBI " and resid 1 and name HE% )
ASSI { 155}
( segid "UBI " and resid 56 and name HD1%)
( segid "UBI " and resid 1 and name HE% )
2.500 0.800 0.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.40357E-02 ppm1 1.657 ppm2 0.595 CV 1
OR { 155}
( segid "UBI " and resid 3 and name HG2%)
( segid "UBI " and resid 1 and name HE% )
ASSI { 163}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 15 and name HB1 ))
2.500 0.800 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.47368E-02 ppm1 1.340 ppm2 0.680 CV 1
OR { 163}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 15 and name HB1 ))
ASSI { 164}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 15 and name HB2 ))
2.400 0.700 0.700 peak 164 spectrum 1 weight 0.10000E+01 volume 0.55576E-02 ppm1 1.182 ppm2 0.685 CV 1
OR { 164}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 15 and name HB2 ))
ASSI { 173}
( segid "UBI " and resid 67 and name HD2%)
(( segid "UBI " and resid 67 and name HB1 ))
2.300 0.700 0.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.70027E-02 ppm1 1.606 ppm2 0.681 CV 1
OR { 173}
( segid "UBI " and resid 67 and name HD2%)
(( segid "UBI " and resid 67 and name HB2 ))
OR { 173}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 67 and name HB2 ))
ASSI { 176}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 69 and name HB2 ))
2.400 0.700 0.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.41042E-02 ppm1 1.067 ppm2 0.669 CV 1
OR { 176}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 69 and name HB2 ))
ASSI { 194}
( segid "UBI " and resid 61 and name HD1%)
(( segid "UBI " and resid 45 and name HB2 ))
3.400 1.400 1.400 peak 194 spectrum 1 weight 0.10000E+01 volume 0.69172E-03 ppm1 3.095 ppm2 0.403 CV 1
OR { 194}
(( segid "UBI " and resid 68 and name HD2 ))
(( segid "UBI " and resid 45 and name HB2 ))
ASSI { 198}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 29 and name HE2 ))
3.000 1.100 1.100 peak 198 spectrum 1 weight 0.10000E+01 volume 0.16331E-02 ppm1 3.151 ppm2 0.684 CV 1
OR { 198}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 33 and name HE1 ))
OR { 198}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 29 and name HE2 ))
OR { 198}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 33 and name HE1 ))
OR { 198}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 29 and name HE2 ))
ASSI { 200}
(( segid "UBI " and resid 54 and name HG2 ))
(( segid "UBI " and resid 54 and name HD1 ))
2.600 0.900 0.900 peak 200 spectrum 1 weight 0.10000E+01 volume 0.30012E-02 ppm1 3.147 ppm2 1.575 CV 1
OR { 200}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 29 and name HE2 ))
OR { 200}
(( segid "UBI " and resid 33 and name HG2 ))
(( segid "UBI " and resid 33 and name HE1 ))
ASSI { 201}
(( segid "UBI " and resid 33 and name HD1 ))
(( segid "UBI " and resid 33 and name HE1 ))
2.500 0.800 0.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.40443E-02 ppm1 3.149 ppm2 1.723 CV 1
OR { 201}
(( segid "UBI " and resid 33 and name HD2 ))
(( segid "UBI " and resid 33 and name HE1 ))
OR { 201}
(( segid "UBI " and resid 29 and name HD1 ))
(( segid "UBI " and resid 29 and name HE2 ))
ASSI { 203}
( segid "UBI " and resid 43 and name HD2%)
(( segid "UBI " and resid 27 and name HE2 ))
2.400 0.700 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.57800E-02 ppm1 2.594 ppm2 0.749 CV 1
OR { 203}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 27 and name HE1 ))
OR { 203}
( segid "UBI " and resid 43 and name HD1%)
(( segid "UBI " and resid 27 and name HE2 ))
OR { 203}
( segid "UBI " and resid 43 and name HD2%)
(( segid "UBI " and resid 27 and name HE1 ))
OR { 203}
( segid "UBI " and resid 43 and name HD1%)
(( segid "UBI " and resid 27 and name HE1 ))
ASSI { 204}
(( segid "UBI " and resid 43 and name HG ))
(( segid "UBI " and resid 27 and name HE2 ))
2.700 0.900 0.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.27019E-02 ppm1 2.596 ppm2 1.426 CV 1
OR { 204}
(( segid "UBI " and resid 43 and name HG ))
(( segid "UBI " and resid 27 and name HE1 ))
OR { 204}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 27 and name HE1 ))
ASSI { 207}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 29 and name HE1 ))
3.700 1.700 1.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.43692E-03 ppm1 2.950 ppm2 0.678 CV 1
OR { 207}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 29 and name HE1 ))
ASSI { 214}
( segid "UBI " and resid 73 and name HD1%)
(( segid "UBI " and resid 73 and name HB2 ))
2.800 1.000 1.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.21974E-02 ppm1 1.661 ppm2 0.840 CV 1
OR { 214}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 71 and name HB1 ))
ASSI { 215}
( segid "UBI " and resid 71 and name HD2%)
(( segid "UBI " and resid 71 and name HB1 ))
2.400 0.700 0.700 peak 215 spectrum 1 weight 0.10000E+01 volume 0.55747E-02 ppm1 1.667 ppm2 0.922 CV 1
OR { 215}
( segid "UBI " and resid 73 and name HD2%)
(( segid "UBI " and resid 73 and name HB2 ))
ASSI { 222}
(( segid "UBI " and resid 6 and name HG2 ))
(( segid "UBI " and resid 6 and name HE1 ))
2.700 0.900 0.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.25479E-02 ppm1 2.881 ppm2 1.214 CV 1
OR { 222}
(( segid "UBI " and resid 11 and name HG1 ))
(( segid "UBI " and resid 11 and name HE1 ))
OR { 222}
(( segid "UBI " and resid 6 and name HG2 ))
(( segid "UBI " and resid 6 and name HE2 ))
OR { 222}
(( segid "UBI " and resid 11 and name HG1 ))
(( segid "UBI " and resid 11 and name HE2 ))
ASSI { 225}
( segid "UBI " and resid 13 and name HG2%)
(( segid "UBI " and resid 33 and name HE1 ))
3.300 1.400 1.400 peak 225 spectrum 1 weight 0.10000E+01 volume 0.78916E-03 ppm1 3.140 ppm2 0.852 CV 1
OR { 225}
( segid "UBI " and resid 46 and name HB% )
(( segid "UBI " and resid 48 and name HE2 ))
ASSI { 226}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 4 and name HB2 ))
2.800 1.000 1.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.23513E-02 ppm1 2.852 ppm2 0.864 CV 1
OR { 226}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 6 and name HE2 ))
ASSI { 227}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 4 and name HB2 ))
2.800 0.900 0.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.30867E-02 ppm1 2.847 ppm2 1.051 CV 1
OR { 227}
(( segid "UBI " and resid 13 and name HG11))
(( segid "UBI " and resid 11 and name HE2 ))
OR { 227}
(( segid "UBI " and resid 13 and name HG11))
(( segid "UBI " and resid 11 and name HE1 ))
ASSI { 238}
(( segid "UBI " and resid 3 and name HG11))
(( segid "UBI " and resid 3 and name HB ))
2.500 0.800 0.800 peak 238 spectrum 1 weight 0.10000E+01 volume 0.33944E-02 ppm1 1.752 ppm2 1.040 CV 1
OR { 238}
( segid "UBI " and resid 8 and name HD1%)
(( segid "UBI " and resid 8 and name HB2 ))
ASSI { 281}
( segid "UBI " and resid 26 and name HG2%)
( segid "UBI " and resid 23 and name HD1%)
2.800 1.000 1.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.30097E-02 ppm1 0.551 ppm2 0.963 CV 1
OR { 281}
(( segid "UBI " and resid 50 and name HB2 ))
( segid "UBI " and resid 23 and name HD1%)
ASSI { 296}
(( segid "UBI " and resid 29 and name HD2 ))
(( segid "UBI " and resid 26 and name HA ))
2.900 1.000 1.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.17015E-02 ppm1 3.336 ppm2 1.404 CV 1
OR { 296}
(( segid "UBI " and resid 15 and name HG ))
(( segid "UBI " and resid 26 and name HA ))
ASSI { 307}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 17 and name HB ))
2.000 0.500 0.500 peak 307 spectrum 1 weight 0.10000E+01 volume 0.14963E-01 ppm1 2.329 ppm2 0.677 CV 1
OR { 307}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 30 and name HB ))
ASSI { 319}
(( segid "UBI " and resid 41 and name HG2 ))
(( segid "UBI " and resid 38 and name HA ))
2.800 1.000 1.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.20863E-02 ppm1 4.102 ppm2 1.594 CV 1
OR { 319}
(( segid "UBI " and resid 38 and name HG1 ))
(( segid "UBI " and resid 38 and name HA ))
ASSI { 323}
(( segid "UBI " and resid 30 and name HG11))
(( segid "UBI " and resid 30 and name HA ))
2.800 1.000 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.25052E-02 ppm1 3.488 ppm2 2.003 CV 1
OR { 323}
(( segid "UBI " and resid 33 and name HB1 ))
(( segid "UBI " and resid 30 and name HA ))
ASSI { 339}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 65 and name HB2 ))
3.200 1.300 1.300 peak 339 spectrum 1 weight 0.10000E+01 volume 0.93200E-03 ppm1 3.623 ppm2 0.594 CV 1
OR { 339}
( segid "UBI " and resid 67 and name HD1%)
(( segid "UBI " and resid 65 and name HB2 ))
ASSI { 353}
(( segid "UBI " and resid 2 and name HB1 ))
(( segid "UBI " and resid 2 and name HG2 ))
2.000 0.500 0.500 peak 353 spectrum 1 weight 0.10000E+01 volume 0.15476E-01 ppm1 1.833 ppm2 1.581 CV 1
OR { 353}
(( segid "UBI " and resid 33 and name HG1 ))
(( segid "UBI " and resid 33 and name HB2 ))
OR { 353}
(( segid "UBI " and resid 33 and name HG2 ))
(( segid "UBI " and resid 33 and name HB2 ))
ASSI { 360}
( segid "UBI " and resid 13 and name HG2%)
(( segid "UBI " and resid 15 and name HB2 ))
2.700 0.900 0.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.19837E-02 ppm1 1.164 ppm2 0.858 CV 1
OR { 360}
( segid "UBI " and resid 30 and name HD1%)
(( segid "UBI " and resid 15 and name HB2 ))
ASSI { 368}
(( segid "UBI " and resid 30 and name HG12))
( segid "UBI " and resid 30 and name HD1%)
1.700 0.400 0.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.34457E-01 ppm1 0.871 ppm2 0.671 CV 1
OR { 368}
( segid "UBI " and resid 30 and name HG2%)
( segid "UBI " and resid 30 and name HD1%)
OR { 368}
( segid "UBI " and resid 26 and name HG1%)
( segid "UBI " and resid 30 and name HD1%)
ASSI { 375}
(( segid "UBI " and resid 73 and name HB2 ))
(( segid "UBI " and resid 73 and name HB1 ))
1.600 0.300 0.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.40443E-01 ppm1 1.485 ppm2 1.660 CV 1
OR { 375}
(( segid "UBI " and resid 71 and name HB1 ))
(( segid "UBI " and resid 71 and name HB2 ))
ASSI { 376}
( segid "UBI " and resid 67 and name HD2%)
(( segid "UBI " and resid 3 and name HB ))
2.500 0.800 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.56774E-02 ppm1 1.732 ppm2 0.658 CV 1
OR { 376}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 3 and name HB ))
OR { 376}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 3 and name HB ))
ASSI { 377}
( segid "UBI " and resid 73 and name HD1%)
(( segid "UBI " and resid 73 and name HB1 ))
3.000 1.100 1.100 peak 377 spectrum 1 weight 0.10000E+01 volume 0.16331E-02 ppm1 1.494 ppm2 0.831 CV 1
OR { 377}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 71 and name HB2 ))
ASSI { 378}
( segid "UBI " and resid 73 and name HD2%)
(( segid "UBI " and resid 73 and name HB1 ))
2.700 0.900 0.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.28729E-02 ppm1 1.490 ppm2 0.930 CV 1
OR { 378}
( segid "UBI " and resid 71 and name HD2%)
(( segid "UBI " and resid 71 and name HB2 ))
ASSI { 399}
( segid "UBI " and resid 56 and name HD2%)
( segid "UBI " and resid 23 and name HD1%)
2.200 0.600 0.600 peak 399 spectrum 1 weight 0.10000E+01 volume 0.72079E-02 ppm1 0.553 ppm2 0.745 CV 1
OR { 399}
( segid "UBI " and resid 23 and name HG2%)
( segid "UBI " and resid 23 and name HD1%)
ASSI { 409}
(( segid "UBI " and resid 51 and name HB2 ))
(( segid "UBI " and resid 51 and name HG1 ))
2.400 0.700 0.700 peak 409 spectrum 1 weight 0.10000E+01 volume 0.43008E-02 ppm1 2.322 ppm2 1.964 CV 1
OR { 409}
(( segid "UBI " and resid 30 and name HG11))
(( segid "UBI " and resid 30 and name HB ))
ASSI { 484}
( segid "UBI " and resid 69 and name HD2%)
(( segid "UBI " and resid 41 and name HG1 ))
3.500 1.500 1.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.40956E-03 ppm1 2.503 ppm2 0.825 CV 1
OR { 484}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 41 and name HG1 ))
ASSI { 485}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 29 and name HB2 ))
3.000 1.100 1.100 peak 485 spectrum 1 weight 0.10000E+01 volume 0.14108E-02 ppm1 2.108 ppm2 0.684 CV 1
OR { 485}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 29 and name HB2 ))
OR { 485}
(( segid "UBI " and resid 30 and name HG12))
(( segid "UBI " and resid 29 and name HB2 ))
ASSI { 499}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 19 and name HA ))
3.100 1.200 1.200 peak 499 spectrum 1 weight 0.10000E+01 volume 0.13339E-02 ppm1 3.927 ppm2 1.658 CV 1
OR { 499}
(( segid "UBI " and resid 56 and name HG ))
(( segid "UBI " and resid 19 and name HA ))
OR { 499}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 19 and name HB1 ))
ASSI { 539}
(( segid "UBI " and resid 62 and name HA ))
(( segid "UBI " and resid 62 and name HB1 ))
2.700 0.900 0.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.25479E-02 ppm1 2.205 ppm2 4.439 CV 1
OR { 539}
(( segid "UBI " and resid 51 and name HA ))
(( segid "UBI " and resid 51 and name HB1 ))
ASSI { 621}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 26 and name HB ))
2.600 0.900 0.900 peak 621 spectrum 1 weight 0.10000E+01 volume 0.29071E-02 ppm1 2.333 ppm2 0.741 CV 1
OR { 621}
( segid "UBI " and resid 15 and name HD1%)
(( segid "UBI " and resid 26 and name HB ))
ASSI { 635}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 27 and name HA ))
3.200 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.14706E-02 ppm1 4.609 ppm2 0.668 CV 1
OR { 635}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 27 and name HA ))
OR { 635}
(( segid "UBI " and resid 30 and name HG12))
(( segid "UBI " and resid 27 and name HA ))
ASSI { 657}
(( segid "UBI " and resid 27 and name HB1 ))
(( segid "UBI " and resid 27 and name HD2 ))
2.300 0.600 0.600 peak 657 spectrum 1 weight 0.10000E+01 volume 0.72164E-02 ppm1 1.718 ppm2 2.023 CV 1
OR { 657}
(( segid "UBI " and resid 63 and name HB1 ))
(( segid "UBI " and resid 63 and name HD1 ))
OR { 657}
(( segid "UBI " and resid 27 and name HB1 ))
(( segid "UBI " and resid 27 and name HD1 ))
OR { 657}
(( segid "UBI " and resid 63 and name HB1 ))
(( segid "UBI " and resid 63 and name HD2 ))
ASSI { 663}
( segid "UBI " and resid 59 and name HD% )
(( segid "UBI " and resid 56 and name HA ))
2.400 0.700 0.700 peak 663 spectrum 1 weight 0.10000E+01 volume 0.68744E-02 ppm1 4.032 ppm2 0.592 CV 1
OR { 663}
( segid "UBI " and resid 56 and name HD1%)
(( segid "UBI " and resid 56 and name HA ))
ASSI { 672}
(( segid "UBI " and resid 6 and name HE2 ))
(( segid "UBI " and resid 6 and name HD1 ))
2.500 0.800 0.800 peak 672 spectrum 1 weight 0.10000E+01 volume 0.36082E-02 ppm1 1.563 ppm2 2.844 CV 1
OR { 672}
(( segid "UBI " and resid 11 and name HE2 ))
(( segid "UBI " and resid 11 and name HD2 ))
OR { 672}
(( segid "UBI " and resid 11 and name HE1 ))
(( segid "UBI " and resid 11 and name HD1 ))
OR { 672}
(( segid "UBI " and resid 11 and name HE2 ))
(( segid "UBI " and resid 11 and name HD1 ))
OR { 672}
(( segid "UBI " and resid 11 and name HE1 ))
(( segid "UBI " and resid 11 and name HD2 ))
OR { 672}
(( segid "UBI " and resid 6 and name HE2 ))
(( segid "UBI " and resid 6 and name HD2 ))
OR { 672}
(( segid "UBI " and resid 6 and name HE1 ))
(( segid "UBI " and resid 6 and name HD1 ))
ASSI { 690}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 64 and name HA ))
3.200 1.300 1.300 peak 690 spectrum 1 weight 0.10000E+01 volume 0.12142E-02 ppm1 3.336 ppm2 0.603 CV 1
OR { 690}
( segid "UBI " and resid 4 and name HE% )
(( segid "UBI " and resid 64 and name HA ))
ASSI { 764}
(( segid "UBI " and resid 38 and name HB2 ))
(( segid "UBI " and resid 38 and name HG1 ))
2.700 0.900 0.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.38134E-02 ppm1 1.586 ppm2 1.978 CV 1
OR { 764}
(( segid "UBI " and resid 51 and name HB2 ))
(( segid "UBI " and resid 54 and name HG2 ))
ASSI { 780}
(( segid "UBI " and resid 27 and name HD2 ))
(( segid "UBI " and resid 31 and name HB1 ))
3.700 3.700 2.300 peak 780 spectrum 1 weight 0.10000E+01 volume 0.57885E-03 ppm1 1.940 ppm2 1.714 CV 1
OR { 780}
(( segid "UBI " and resid 29 and name HG1 ))
(( segid "UBI " and resid 31 and name HB1 ))
OR { 780}
(( segid "UBI " and resid 27 and name HD1 ))
(( segid "UBI " and resid 31 and name HB1 ))
ASSI { 792}
(( segid "UBI " and resid 23 and name HB ))
(( segid "UBI " and resid 52 and name HA ))
2.200 0.600 0.600 peak 792 spectrum 1 weight 0.10000E+01 volume 0.69599E-02 ppm1 4.289 ppm2 2.464 CV 1
OR { 792}
(( segid "UBI " and resid 52 and name HB1 ))
(( segid "UBI " and resid 52 and name HA ))
ASSI { 823}
(( segid "UBI " and resid 17 and name HB ))
( segid "UBI " and resid 56 and name HD2%)
2.900 1.000 1.000 peak 823 spectrum 1 weight 0.10000E+01 volume 0.23855E-02 ppm1 0.728 ppm2 2.327 CV 1
OR { 823}
(( segid "UBI " and resid 26 and name HB ))
( segid "UBI " and resid 56 and name HD2%)
OR { 823}
(( segid "UBI " and resid 26 and name HB ))
( segid "UBI " and resid 43 and name HD2%)
ASSI { 824}
(( segid "UBI " and resid 21 and name HB2 ))
( segid "UBI " and resid 56 and name HD2%)
3.500 1.500 1.500 peak 824 spectrum 1 weight 0.10000E+01 volume 0.74899E-03 ppm1 0.726 ppm2 2.949 CV 1
OR { 824}
(( segid "UBI " and resid 58 and name HB1 ))
( segid "UBI " and resid 56 and name HD2%)
ASSI { 827}
( segid "UBI " and resid 26 and name HG2%)
( segid "UBI " and resid 56 and name HD2%)
2.300 0.700 0.700 peak 827 spectrum 1 weight 0.10000E+01 volume 0.60536E-02 ppm1 0.730 ppm2 0.958 CV 1
OR { 827}
(( segid "UBI " and resid 50 and name HB2 ))
( segid "UBI " and resid 43 and name HD2%)
ASSI { 849}
(( segid "UBI " and resid 74 and name HG1 ))
(( segid "UBI " and resid 74 and name HA ))
2.900 1.100 1.100 peak 849 spectrum 1 weight 0.10000E+01 volume 0.19751E-02 ppm1 4.319 ppm2 1.614 CV 1
OR { 849}
(( segid "UBI " and resid 74 and name HG2 ))
(( segid "UBI " and resid 74 and name HA ))
OR { 849}
(( segid "UBI " and resid 11 and name HD2 ))
(( segid "UBI " and resid 11 and name HA ))
ASSI { 860}
( segid "UBI " and resid 69 and name HD2%)
(( segid "UBI " and resid 41 and name HA ))
2.400 0.700 0.700 peak 860 spectrum 1 weight 0.10000E+01 volume 0.51045E-02 ppm1 4.212 ppm2 0.825 CV 1
OR { 860}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 41 and name HA ))
ASSI { 890}
(( segid "UBI " and resid 43 and name HB1 ))
( segid "UBI " and resid 43 and name HD2%)
2.700 0.900 0.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.31722E-02 ppm1 0.692 ppm2 1.527 CV 1
OR { 890}
(( segid "UBI " and resid 69 and name HB1 ))
( segid "UBI " and resid 69 and name HD1%)
ASSI { 916}
(( segid "UBI " and resid 34 and name HG1 ))
(( segid "UBI " and resid 34 and name HA ))
2.900 1.100 1.100 peak 916 spectrum 1 weight 0.10000E+01 volume 0.21889E-02 ppm1 4.563 ppm2 2.129 CV 1
OR { 916}
(( segid "UBI " and resid 49 and name HG1 ))
(( segid "UBI " and resid 49 and name HA ))
ASSI { 919}
(( segid "UBI " and resid 51 and name HG2 ))
(( segid "UBI " and resid 51 and name HA ))
2.300 0.600 0.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.79774E-02 ppm1 4.406 ppm2 2.392 CV 1
OR { 919}
(( segid "UBI " and resid 40 and name HB1 ))
(( segid "UBI " and resid 40 and name HA ))
OR { 919}
(( segid "UBI " and resid 40 and name HG1 ))
(( segid "UBI " and resid 40 and name HA ))
OR { 919}
(( segid "UBI " and resid 40 and name HG2 ))
(( segid "UBI " and resid 40 and name HA ))
ASSI { 956}
(( segid "UBI " and resid 43 and name HB2 ))
( segid "UBI " and resid 67 and name HD2%)
3.300 1.400 1.400 peak 956 spectrum 1 weight 0.10000E+01 volume 0.12398E-02 ppm1 0.622 ppm2 1.122 CV 1
OR { 956}
(( segid "UBI " and resid 61 and name HG11))
( segid "UBI " and resid 67 and name HD2%)
OR { 956}
(( segid "UBI " and resid 61 and name HG11))
( segid "UBI " and resid 67 and name HD1%)
OR { 956}
(( segid "UBI " and resid 43 and name HB2 ))
( segid "UBI " and resid 67 and name HD1%)
ASSI { 969}
(( segid "UBI " and resid 8 and name HA ))
( segid "UBI " and resid 8 and name HD1%)
3.800 1.800 1.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.40101E-03 ppm1 1.034 ppm2 4.289 CV 1
OR { 969}
(( segid "UBI " and resid 70 and name HA ))
( segid "UBI " and resid 8 and name HD1%)
ASSI { 972}
(( segid "UBI " and resid 72 and name HB2 ))
(( segid "UBI " and resid 72 and name HA ))
2.600 0.800 0.800 peak 972 spectrum 1 weight 0.10000E+01 volume 0.30781E-02 ppm1 4.267 ppm2 1.767 CV 1
OR { 972}
(( segid "UBI " and resid 74 and name HB2 ))
(( segid "UBI " and resid 74 and name HA ))
ASSI { 998}
(( segid "UBI " and resid 16 and name HB2 ))
(( segid "UBI " and resid 16 and name HA ))
2.600 0.900 0.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.27361E-02 ppm1 4.874 ppm2 1.799 CV 1
OR { 998}
(( segid "UBI " and resid 2 and name HG2 ))
(( segid "UBI " and resid 16 and name HA ))
ASSI { 1030}
(( segid "UBI " and resid 69 and name HA ))
( segid "UBI " and resid 43 and name HD1%)
2.600 0.900 0.900 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.24283E-02 ppm1 0.782 ppm2 5.178 CV 1
OR { 1030}
(( segid "UBI " and resid 69 and name HA ))
( segid "UBI " and resid 71 and name HD1%)
ASSI { 1038}
(( segid "UBI " and resid 71 and name HA ))
( segid "UBI " and resid 71 and name HD1%)
2.800 1.000 1.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.21034E-02 ppm1 0.830 ppm2 5.036 CV 1
OR { 1038}
(( segid "UBI " and resid 7 and name HA ))
( segid "UBI " and resid 69 and name HD2%)
ASSI { 1072}
( segid "UBI " and resid 69 and name HD2%)
(( segid "UBI " and resid 69 and name HA ))
2.800 1.000 1.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.32064E-02 ppm1 5.182 ppm2 0.793 CV 1
OR { 1072}
( segid "UBI " and resid 43 and name HD1%)
(( segid "UBI " and resid 69 and name HA ))
ASSI { 1073}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 71 and name HA ))
3.000 1.100 1.100 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.15903E-02 ppm1 5.037 ppm2 0.828 CV 1
OR { 1073}
( segid "UBI " and resid 69 and name HD2%)
(( segid "UBI " and resid 71 and name HA ))
ASSI { 1074}
(( segid "UBI " and resid 63 and name HB2 ))
(( segid "UBI " and resid 63 and name HG1 ))
2.000 0.500 0.500 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.18212E-01 ppm1 1.472 ppm2 1.841 CV 1
OR { 1074}
(( segid "UBI " and resid 48 and name HB1 ))
(( segid "UBI " and resid 48 and name HG2 ))
OR { 1074}
(( segid "UBI " and resid 48 and name HB2 ))
(( segid "UBI " and resid 48 and name HG1 ))
OR { 1074}
(( segid "UBI " and resid 48 and name HD1 ))
(( segid "UBI " and resid 48 and name HG2 ))
OR { 1074}
(( segid "UBI " and resid 48 and name HD2 ))
(( segid "UBI " and resid 48 and name HG1 ))
OR { 1074}
(( segid "UBI " and resid 48 and name HD2 ))
(( segid "UBI " and resid 48 and name HG2 ))
OR { 1074}
(( segid "UBI " and resid 48 and name HD1 ))
(( segid "UBI " and resid 48 and name HG1 ))
OR { 1074}
(( segid "UBI " and resid 48 and name HB2 ))
(( segid "UBI " and resid 48 and name HG2 ))
ASSI { 1086}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 69 and name HA ))
3.000 1.200 1.200 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.14877E-02 ppm1 5.184 ppm2 0.679 CV 1
OR { 1086}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 69 and name HA ))
ASSI { 1094}
(( segid "UBI " and resid 43 and name HA ))
( segid "UBI " and resid 69 and name HD2%)
3.700 1.700 1.700 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.52840E-03 ppm1 0.822 ppm2 5.339 CV 1
OR { 1094}
(( segid "UBI " and resid 6 and name HA ))
( segid "UBI " and resid 69 and name HD2%)
ASSI { 1114}
( segid "UBI " and resid 56 and name HD1%)
( segid "UBI " and resid 26 and name HG2%)
2.200 0.600 0.600 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.84650E-02 ppm1 0.955 ppm2 0.587 CV 1
OR { 1114}
( segid "UBI " and resid 3 and name HD1%)
( segid "UBI " and resid 26 and name HG2%)
ASSI { 1130}
(( segid "UBI " and resid 29 and name HE2 ))
( segid "UBI " and resid 17 and name HG1%)
3.000 3.000 3.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.10944E-02 ppm1 0.683 ppm2 3.153 CV 1
OR { 1130}
(( segid "UBI " and resid 25 and name HB1 ))
( segid "UBI " and resid 17 and name HG1%)
ASSI { 1131}
(( segid "UBI " and resid 15 and name HB1 ))
( segid "UBI " and resid 17 and name HG1%)
3.000 1.200 1.200 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.13595E-02 ppm1 0.681 ppm2 1.337 CV 1
OR { 1131}
(( segid "UBI " and resid 15 and name HB1 ))
( segid "UBI " and resid 5 and name HG1%)
ASSI { 1139}
(( segid "UBI " and resid 4 and name HB2 ))
( segid "UBI " and resid 12 and name HG2%)
3.000 1.100 1.100 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.28558E-02 ppm1 1.053 ppm2 2.840 CV 1
OR { 1139}
(( segid "UBI " and resid 6 and name HE1 ))
( segid "UBI " and resid 12 and name HG2%)
ASSI { 1161}
(( segid "UBI " and resid 2 and name HG1 ))
( segid "UBI " and resid 14 and name HG2%)
3.100 1.200 1.200 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.13168E-02 ppm1 1.110 ppm2 2.209 CV 1
OR { 1161}
(( segid "UBI " and resid 58 and name HB2 ))
( segid "UBI " and resid 55 and name HG2%)
OR { 1161}
(( segid "UBI " and resid 54 and name HB1 ))
( segid "UBI " and resid 55 and name HG2%)
ASSI { 1171}
(( segid "UBI " and resid 4 and name HB2 ))
( segid "UBI " and resid 66 and name HG2%)
3.100 1.200 1.200 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.12997E-02 ppm1 0.864 ppm2 2.847 CV 1
OR { 1171}
(( segid "UBI " and resid 68 and name HB2 ))
( segid "UBI " and resid 70 and name HG2%)
ASSI { 1172}
(( segid "UBI " and resid 4 and name HB1 ))
( segid "UBI " and resid 66 and name HG2%)
3.100 1.200 1.200 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.11714E-02 ppm1 0.863 ppm2 3.011 CV 1
OR { 1172}
(( segid "UBI " and resid 68 and name HB1 ))
( segid "UBI " and resid 70 and name HG2%)
ASSI { 1181}
(( segid "UBI " and resid 44 and name HB ))
( segid "UBI " and resid 70 and name HG2%)
3.000 1.100 1.100 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.15989E-02 ppm1 0.904 ppm2 1.681 CV 1
OR { 1181}
(( segid "UBI " and resid 42 and name HB1 ))
( segid "UBI " and resid 70 and name HG2%)
ASSI { 1188}
(( segid "UBI " and resid 38 and name HB2 ))
(( segid "UBI " and resid 38 and name HD2 ))
2.700 0.900 0.900 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.38220E-02 ppm1 3.724 ppm2 1.979 CV 1
OR { 1188}
(( segid "UBI " and resid 37 and name HB2 ))
(( segid "UBI " and resid 38 and name HD2 ))
OR { 1188}
(( segid "UBI " and resid 38 and name HB2 ))
(( segid "UBI " and resid 38 and name HD1 ))
OR { 1188}
(( segid "UBI " and resid 37 and name HB2 ))
(( segid "UBI " and resid 38 and name HD1 ))
ASSI { 1213}
(( segid "UBI " and resid 67 and name HB2 ))
( segid "UBI " and resid 5 and name HG1%)
2.800 1.000 1.000 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.21547E-02 ppm1 0.665 ppm2 1.616 CV 1
OR { 1213}
(( segid "UBI " and resid 67 and name HB1 ))
( segid "UBI " and resid 5 and name HG1%)
OR { 1213}
(( segid "UBI " and resid 6 and name HB1 ))
( segid "UBI " and resid 5 and name HG1%)
ASSI { 1215}
(( segid "UBI " and resid 29 and name HD2 ))
( segid "UBI " and resid 17 and name HG1%)
2.900 1.100 1.100 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.17357E-02 ppm1 0.680 ppm2 1.406 CV 1
OR { 1215}
(( segid "UBI " and resid 15 and name HG ))
( segid "UBI " and resid 17 and name HG1%)
OR { 1215}
(( segid "UBI " and resid 43 and name HG ))
( segid "UBI " and resid 5 and name HG1%)
ASSI { 1223}
(( segid "UBI " and resid 69 and name HB1 ))
( segid "UBI " and resid 69 and name HD2%)
2.300 0.700 0.700 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.64298E-02 ppm1 0.848 ppm2 1.545 CV 1
OR { 1223}
(( segid "UBI " and resid 73 and name HB1 ))
( segid "UBI " and resid 73 and name HD1%)
ASSI { 1232}
( segid "UBI " and resid 30 and name HD1%)
( segid "UBI " and resid 5 and name HG1%)
2.300 0.600 0.600 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.80118E-02 ppm1 0.667 ppm2 0.849 CV 1
OR { 1232}
( segid "UBI " and resid 69 and name HD2%)
( segid "UBI " and resid 5 and name HG1%)
ASSI { 1241}
( segid "UBI " and resid 5 and name HG1%)
( segid "UBI " and resid 7 and name HG2%)
2.400 0.700 0.700 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.61818E-02 ppm1 1.163 ppm2 0.688 CV 1
OR { 1241}
( segid "UBI " and resid 69 and name HD1%)
( segid "UBI " and resid 7 and name HG2%)
ASSI { 1255}
(( segid "UBI " and resid 29 and name HA ))
(( segid "UBI " and resid 29 and name HB2 ))
3.000 1.100 1.100 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.20350E-02 ppm1 2.091 ppm2 4.184 CV 1
OR { 1255}
(( segid "UBI " and resid 24 and name HA ))
(( segid "UBI " and resid 27 and name HB1 ))
ASSI { 1269}
( segid "UBI " and resid 7 and name HG2%)
( segid "UBI " and resid 5 and name HG1%)
2.800 1.000 1.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.25137E-02 ppm1 0.681 ppm2 1.173 CV 1
OR { 1269}
(( segid "UBI " and resid 15 and name HB2 ))
( segid "UBI " and resid 17 and name HG1%)
ASSI { 1270}
(( segid "UBI " and resid 21 and name HB2 ))
( segid "UBI " and resid 17 and name HG1%)
4.000 2.000 2.000 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.23770E-03 ppm1 0.685 ppm2 2.949 CV 1
OR { 1270}
(( segid "UBI " and resid 29 and name HE1 ))
( segid "UBI " and resid 17 and name HG1%)
ASSI { 1274}
(( segid "UBI " and resid 69 and name HA ))
( segid "UBI " and resid 5 and name HG1%)
3.800 1.800 1.800 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.46257E-03 ppm1 0.666 ppm2 5.145 CV 1
OR { 1274}
(( segid "UBI " and resid 68 and name HA ))
( segid "UBI " and resid 5 and name HG1%)
ASSI { 1288}
(( segid "UBI " and resid 13 and name HA ))
(( segid "UBI " and resid 13 and name HG12))
3.100 1.200 1.200 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.10431E-02 ppm1 1.449 ppm2 4.485 CV 1
OR { 1288}
(( segid "UBI " and resid 42 and name HA ))
(( segid "UBI " and resid 42 and name HG2 ))
OR { 1288}
(( segid "UBI " and resid 42 and name HA ))
(( segid "UBI " and resid 42 and name HG1 ))
ASSI { 1307}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 27 and name HG1 ))
1.700 0.400 0.500 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.40870E-01 ppm1 1.565 ppm2 1.402 CV 1
OR { 1307}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 27 and name HG2 ))
OR { 1307}
(( segid "UBI " and resid 29 and name HD2 ))
(( segid "UBI " and resid 29 and name HG2 ))
ASSI { 1319}
(( segid "UBI " and resid 41 and name HG2 ))
(( segid "UBI " and resid 41 and name HA ))
2.900 1.000 1.000 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.23770E-02 ppm1 4.213 ppm2 1.624 CV 1
OR { 1319}
(( segid "UBI " and resid 71 and name HB1 ))
(( segid "UBI " and resid 41 and name HA ))
ASSI { 1321}
(( segid "UBI " and resid 74 and name HB2 ))
(( segid "UBI " and resid 74 and name HA ))
2.600 0.900 0.900 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.33944E-02 ppm1 4.306 ppm2 1.769 CV 1
OR { 1321}
(( segid "UBI " and resid 11 and name HB1 ))
(( segid "UBI " and resid 11 and name HA ))
ASSI { 1324}
(( segid "UBI " and resid 33 and name HG1 ))
(( segid "UBI " and resid 33 and name HD2 ))
1.500 0.300 0.700 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.78147E-01 ppm1 1.694 ppm2 1.577 CV 1
OR { 1324}
(( segid "UBI " and resid 33 and name HG2 ))
(( segid "UBI " and resid 33 and name HD1 ))
OR { 1324}
(( segid "UBI " and resid 67 and name HB2 ))
(( segid "UBI " and resid 67 and name HG ))
OR { 1324}
(( segid "UBI " and resid 33 and name HG2 ))
(( segid "UBI " and resid 33 and name HD2 ))
OR { 1324}
(( segid "UBI " and resid 33 and name HG1 ))
(( segid "UBI " and resid 33 and name HD1 ))
ASSI { 1327}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 7 and name HA ))
3.300 1.400 1.400 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.10773E-02 ppm1 5.005 ppm2 0.685 CV 1
OR { 1327}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 7 and name HA ))
ASSI { 1329}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 5 and name HA ))
3.500 1.500 1.500 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.73532E-03 ppm1 4.769 ppm2 0.859 CV 1
OR { 1329}
( segid "UBI " and resid 30 and name HD1%)
(( segid "UBI " and resid 5 and name HA ))
ASSI { 1331}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 26 and name HB ))
3.900 1.900 1.900 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.34970E-03 ppm1 2.324 ppm2 0.561 CV 1
OR { 1331}
( segid "UBI " and resid 3 and name HD1%)
(( segid "UBI " and resid 26 and name HB ))
ASSI { 1356}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 40 and name HG2 ))
3.400 1.400 1.400 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.54892E-03 ppm1 2.403 ppm2 0.831 CV 1
OR { 1356}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 40 and name HG1 ))
OR { 1356}
( segid "UBI " and resid 69 and name HD2%)
(( segid "UBI " and resid 40 and name HG2 ))
ASSI { 1361}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 34 and name HG2 ))
3.300 1.400 1.400 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.10346E-02 ppm1 2.058 ppm2 0.679 CV 1
OR { 1361}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 34 and name HG2 ))
ASSI { 1369}
( segid "UBI " and resid 4 and name HE% )
(( segid "UBI " and resid 64 and name HG2 ))
3.300 1.400 1.400 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.81484E-03 ppm1 2.223 ppm2 0.605 CV 1
OR { 1369}
( segid "UBI " and resid 4 and name HE% )
(( segid "UBI " and resid 64 and name HG1 ))
OR { 1369}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 64 and name HG2 ))
ASSI { 1377}
(( segid "UBI " and resid 43 and name HB2 ))
( segid "UBI " and resid 23 and name HD1%)
3.600 3.600 2.400 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.56603E-03 ppm1 0.564 ppm2 1.134 CV 1
OR { 1377}
( segid "UBI " and resid 55 and name HG2%)
( segid "UBI " and resid 23 and name HD1%)
ASSI { 1378}
(( segid "UBI " and resid 56 and name HA ))
( segid "UBI " and resid 23 and name HD1%)
3.800 1.800 1.800 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.48737E-03 ppm1 0.550 ppm2 4.033 CV 1
OR { 1378}
(( segid "UBI " and resid 50 and name HA ))
( segid "UBI " and resid 23 and name HD1%)
ASSI { 1381}
(( segid "UBI " and resid 56 and name HG ))
(( segid "UBI " and resid 56 and name HB1 ))
3.000 1.100 1.100 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.15818E-02 ppm1 1.249 ppm2 1.679 CV 1
OR { 1381}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 56 and name HB1 ))
ASSI { 1419}
(( segid "UBI " and resid 54 and name HB2 ))
(( segid "UBI " and resid 54 and name HD1 ))
3.500 1.600 1.600 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.58569E-03 ppm1 3.129 ppm2 2.090 CV 1
OR { 1419}
(( segid "UBI " and resid 29 and name HB2 ))
(( segid "UBI " and resid 29 and name HE2 ))
ASSI { 1423}
(( segid "UBI " and resid 54 and name HG1 ))
(( segid "UBI " and resid 54 and name HD1 ))
2.900 1.100 1.100 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.19922E-02 ppm1 3.123 ppm2 1.819 CV 1
OR { 1423}
(( segid "UBI " and resid 33 and name HB2 ))
(( segid "UBI " and resid 33 and name HE1 ))
ASSI { 1425}
(( segid "UBI " and resid 54 and name HG2 ))
(( segid "UBI " and resid 54 and name HD2 ))
3.100 1.200 1.200 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.12398E-02 ppm1 3.068 ppm2 1.593 CV 1
OR { 1425}
(( segid "UBI " and resid 42 and name HB2 ))
(( segid "UBI " and resid 42 and name HD1 ))
ASSI { 1428}
(( segid "UBI " and resid 72 and name HB2 ))
(( segid "UBI " and resid 72 and name HD1 ))
3.200 1.200 1.200 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.10688E-02 ppm1 3.181 ppm2 1.764 CV 1
OR { 1428}
(( segid "UBI " and resid 74 and name HB2 ))
(( segid "UBI " and resid 74 and name HD1 ))
OR { 1428}
(( segid "UBI " and resid 72 and name HB2 ))
(( segid "UBI " and resid 72 and name HD2 ))
OR { 1428}
(( segid "UBI " and resid 74 and name HB2 ))
(( segid "UBI " and resid 74 and name HD2 ))
ASSI { 1432}
(( segid "UBI " and resid 67 and name HG ))
( segid "UBI " and resid 61 and name HD1%)
3.400 1.400 1.400 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.81395E-03 ppm1 0.399 ppm2 1.739 CV 1
OR { 1432}
(( segid "UBI " and resid 3 and name HB ))
( segid "UBI " and resid 61 and name HD1%)
ASSI { 1436}
( segid "UBI " and resid 67 and name HD1%)
( segid "UBI " and resid 61 and name HD1%)
2.100 0.500 0.500 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.14364E-01 ppm1 0.401 ppm2 0.597 CV 1
OR { 1436}
( segid "UBI " and resid 56 and name HD1%)
( segid "UBI " and resid 61 and name HD1%)
OR { 1436}
( segid "UBI " and resid 59 and name HD% )
( segid "UBI " and resid 61 and name HD1%)
OR { 1436}
( segid "UBI " and resid 3 and name HD1%)
( segid "UBI " and resid 61 and name HD1%)
ASSI { 1446}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 69 and name HB1 ))
2.400 0.700 0.700 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.75757E-02 ppm1 1.538 ppm2 0.680 CV 1
OR { 1446}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 69 and name HB1 ))
ASSI { 1454}
(( segid "UBI " and resid 43 and name HG ))
(( segid "UBI " and resid 43 and name HB1 ))
2.800 1.000 1.000 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.23770E-02 ppm1 1.548 ppm2 1.427 CV 1
OR { 1454}
(( segid "UBI " and resid 50 and name HB1 ))
(( segid "UBI " and resid 43 and name HB1 ))
ASSI { 1465}
(( segid "UBI " and resid 33 and name HB2 ))
( segid "UBI " and resid 30 and name HG2%)
3.900 1.900 1.900 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.37621E-03 ppm1 0.673 ppm2 1.818 CV 1
OR { 1465}
(( segid "UBI " and resid 13 and name HB ))
( segid "UBI " and resid 30 and name HG2%)
ASSI { 1467}
( segid "UBI " and resid 45 and name HD% )
( segid "UBI " and resid 61 and name HG2%)
2.700 0.900 0.900 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.42751E-02 ppm1 0.453 ppm2 0.728 CV 1
OR { 1467}
( segid "UBI " and resid 56 and name HD2%)
( segid "UBI " and resid 61 and name HG2%)
ASSI { 1468}
( segid "UBI " and resid 3 and name HG2%)
( segid "UBI " and resid 61 and name HG2%)
1.900 0.500 0.500 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.17613E-01 ppm1 0.449 ppm2 0.591 CV 1
OR { 1468}
( segid "UBI " and resid 67 and name HD1%)
( segid "UBI " and resid 61 and name HG2%)
ASSI { 1480}
(( segid "UBI " and resid 36 and name HG12))
( segid "UBI " and resid 30 and name HG2%)
3.700 1.700 1.700 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.55320E-03 ppm1 0.682 ppm2 1.072 CV 1
OR { 1480}
(( segid "UBI " and resid 13 and name HG11))
( segid "UBI " and resid 30 and name HG2%)
OR { 1480}
(( segid "UBI " and resid 43 and name HB2 ))
( segid "UBI " and resid 30 and name HG2%)
ASSI { 1484}
( segid "UBI " and resid 26 and name HG1%)
( segid "UBI " and resid 23 and name HG2%)
1.900 1.900 4.100 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.24625E-01 ppm1 0.752 ppm2 0.647 CV 1
OR { 1484}
( segid "UBI " and resid 17 and name HG1%)
( segid "UBI " and resid 23 and name HG2%)
ASSI { 1485}
(( segid "UBI " and resid 1 and name HB1 ))
( segid "UBI " and resid 17 and name HG2%)
3.900 1.900 1.900 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.31123E-03 ppm1 0.416 ppm2 2.141 CV 1
OR { 1485}
(( segid "UBI " and resid 18 and name HB1 ))
( segid "UBI " and resid 17 and name HG2%)
ASSI { 1486}
( segid "UBI " and resid 56 and name HD1%)
( segid "UBI " and resid 17 and name HG2%)
2.200 0.600 0.600 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.87211E-02 ppm1 0.407 ppm2 0.579 CV 1
OR { 1486}
( segid "UBI " and resid 3 and name HD1%)
( segid "UBI " and resid 17 and name HG2%)
ASSI { 1507}
( segid "UBI " and resid 50 and name HD2%)
( segid "UBI " and resid 67 and name HD2%)
2.400 0.700 0.700 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.48566E-02 ppm1 0.664 ppm2 0.461 CV 1
OR { 1507}
( segid "UBI " and resid 61 and name HG2%)
( segid "UBI " and resid 67 and name HD2%)
ASSI { 1509}
( segid "UBI " and resid 69 and name HD2%)
(( segid "UBI " and resid 41 and name HG2 ))
2.700 2.700 3.300 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.20606E-02 ppm1 1.629 ppm2 0.825 CV 1
OR { 1509}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 41 and name HG2 ))
OR { 1509}
( segid "UBI " and resid 13 and name HG2%)
(( segid "UBI " and resid 34 and name HB2 ))
ASSI { 1521}
( segid "UBI " and resid 26 and name HG1%)
( segid "UBI " and resid 26 and name HG2%)
2.000 0.500 0.500 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.14450E-01 ppm1 0.955 ppm2 0.672 CV 1
OR { 1521}
( segid "UBI " and resid 17 and name HG1%)
( segid "UBI " and resid 26 and name HG2%)
ASSI { 1524}
(( segid "UBI " and resid 41 and name HB1 ))
( segid "UBI " and resid 69 and name HD2%)
2.800 1.000 1.000 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.21974E-02 ppm1 0.824 ppm2 1.928 CV 1
OR { 1524}
(( segid "UBI " and resid 41 and name HB1 ))
( segid "UBI " and resid 71 and name HD1%)
ASSI { 1527}
(( segid "UBI " and resid 3 and name HB ))
( segid "UBI " and resid 61 and name HG2%)
3.800 1.800 1.800 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.37707E-03 ppm1 0.450 ppm2 1.728 CV 1
OR { 1527}
(( segid "UBI " and resid 67 and name HG ))
( segid "UBI " and resid 61 and name HG2%)
ASSI { 1531}
( segid "UBI " and resid 30 and name HD1%)
( segid "UBI " and resid 15 and name HD2%)
3.200 1.300 1.300 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.11543E-02 ppm1 0.692 ppm2 0.872 CV 1
OR { 1531}
( segid "UBI " and resid 13 and name HG2%)
( segid "UBI " and resid 15 and name HD2%)
ASSI { 1538}
(( segid "UBI " and resid 29 and name HD1 ))
( segid "UBI " and resid 15 and name HD1%)
2.800 1.000 1.000 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.20179E-02 ppm1 0.741 ppm2 1.716 CV 1
OR { 1538}
(( segid "UBI " and resid 27 and name HD1 ))
( segid "UBI " and resid 43 and name HD1%)
OR { 1538}
(( segid "UBI " and resid 29 and name HG1 ))
( segid "UBI " and resid 15 and name HD1%)
OR { 1538}
(( segid "UBI " and resid 67 and name HG ))
( segid "UBI " and resid 43 and name HD1%)
ASSI { 1539}
(( segid "UBI " and resid 67 and name HB1 ))
( segid "UBI " and resid 43 and name HD1%)
3.000 1.100 1.100 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.16245E-02 ppm1 0.742 ppm2 1.576 CV 1
OR { 1539}
(( segid "UBI " and resid 67 and name HB2 ))
( segid "UBI " and resid 43 and name HD1%)
OR { 1539}
(( segid "UBI " and resid 29 and name HG2 ))
( segid "UBI " and resid 15 and name HD1%)
ASSI { 1541}
(( segid "UBI " and resid 16 and name HB1 ))
( segid "UBI " and resid 15 and name HD1%)
3.000 1.200 1.200 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.14364E-02 ppm1 0.740 ppm2 1.838 CV 1
OR { 1541}
(( segid "UBI " and resid 33 and name HB2 ))
( segid "UBI " and resid 15 and name HD1%)
ASSI { 1544}
(( segid "UBI " and resid 43 and name HG ))
( segid "UBI " and resid 43 and name HD1%)
2.500 0.800 0.800 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.41811E-02 ppm1 0.780 ppm2 1.426 CV 1
OR { 1544}
(( segid "UBI " and resid 15 and name HG ))
( segid "UBI " and resid 15 and name HD1%)
ASSI { 1546}
(( segid "UBI " and resid 43 and name HB2 ))
( segid "UBI " and resid 43 and name HD1%)
2.500 0.800 0.800 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.46171E-02 ppm1 0.781 ppm2 1.123 CV 1
OR { 1546}
(( segid "UBI " and resid 15 and name HB2 ))
( segid "UBI " and resid 15 and name HD1%)
ASSI { 1550}
(( segid "UBI " and resid 36 and name HB ))
( segid "UBI " and resid 69 and name HD2%)
3.000 1.100 1.100 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.19495E-02 ppm1 0.833 ppm2 1.392 CV 1
OR { 1550}
(( segid "UBI " and resid 36 and name HB ))
( segid "UBI " and resid 71 and name HD1%)
OR { 1550}
(( segid "UBI " and resid 36 and name HG11))
( segid "UBI " and resid 71 and name HD1%)
OR { 1550}
(( segid "UBI " and resid 36 and name HG11))
( segid "UBI " and resid 69 and name HD2%)
OR { 1550}
(( segid "UBI " and resid 43 and name HG ))
( segid "UBI " and resid 69 and name HD2%)
ASSI { 1553}
( segid "UBI " and resid 45 and name HD% )
( segid "UBI " and resid 50 and name HD2%)
2.700 0.900 0.900 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.27532E-02 ppm1 0.503 ppm2 0.746 CV 1
OR { 1553}
( segid "UBI " and resid 43 and name HD1%)
( segid "UBI " and resid 50 and name HD2%)
OR { 1553}
( segid "UBI " and resid 23 and name HG2%)
( segid "UBI " and resid 50 and name HD2%)
OR { 1553}
( segid "UBI " and resid 43 and name HD2%)
( segid "UBI " and resid 50 and name HD2%)
ASSI { 1575}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 29 and name HD2 ))
3.100 1.200 1.200 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.13082E-02 ppm1 1.415 ppm2 0.684 CV 1
OR { 1575}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 29 and name HD2 ))
OR { 1575}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 29 and name HD2 ))
ASSI { 1583}
(( segid "UBI " and resid 16 and name HG1 ))
(( segid "UBI " and resid 16 and name HB2 ))
2.000 0.500 0.500 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.12227E-01 ppm1 1.800 ppm2 2.045 CV 1
OR { 1583}
(( segid "UBI " and resid 37 and name HG2 ))
(( segid "UBI " and resid 40 and name HB2 ))
ASSI { 1588}
( segid "UBI " and resid 61 and name HG2%)
(( segid "UBI " and resid 67 and name HG ))
3.300 1.400 1.400 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.83963E-03 ppm1 1.746 ppm2 0.492 CV 1
OR { 1588}
( segid "UBI " and resid 50 and name HD2%)
(( segid "UBI " and resid 67 and name HG ))
ASSI { 1595}
(( segid "UBI " and resid 29 and name HE2 ))
(( segid "UBI " and resid 29 and name HD1 ))
3.200 1.300 1.300 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.10175E-02 ppm1 1.756 ppm2 3.159 CV 1
OR { 1595}
(( segid "UBI " and resid 72 and name HD1 ))
(( segid "UBI " and resid 72 and name HB2 ))
OR { 1595}
(( segid "UBI " and resid 74 and name HD1 ))
(( segid "UBI " and resid 74 and name HB2 ))
OR { 1595}
(( segid "UBI " and resid 72 and name HD2 ))
(( segid "UBI " and resid 72 and name HB2 ))
ASSI { 1597}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 23 and name HA ))
3.800 1.800 1.800 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.71480E-03 ppm1 3.601 ppm2 0.670 CV 1
OR { 1597}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 23 and name HA ))
ASSI { 1598}
( segid "UBI " and resid 56 and name HD2%)
(( segid "UBI " and resid 19 and name HA ))
3.300 1.300 1.300 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.74558E-03 ppm1 3.931 ppm2 0.719 CV 1
OR { 1598}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 19 and name HA ))
ASSI { 1606}
(( segid "UBI " and resid 2 and name HB1 ))
(( segid "UBI " and resid 2 and name HB2 ))
1.600 0.300 0.600 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.41726E-01 ppm1 1.846 ppm2 1.610 CV 1
OR { 1606}
(( segid "UBI " and resid 74 and name HG2 ))
(( segid "UBI " and resid 74 and name HB1 ))
ASSI { 1617}
( segid "UBI " and resid 15 and name HD1%)
(( segid "UBI " and resid 29 and name HE2 ))
3.200 1.300 1.300 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.11458E-02 ppm1 3.150 ppm2 0.737 CV 1
OR { 1617}
( segid "UBI " and resid 15 and name HD1%)
(( segid "UBI " and resid 33 and name HE1 ))
OR { 1617}
( segid "UBI " and resid 45 and name HD% )
(( segid "UBI " and resid 48 and name HE2 ))
ASSI { 1627}
(( segid "UBI " and resid 50 and name HB2 ))
( segid "UBI " and resid 23 and name HG2%)
2.700 0.900 0.900 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.33346E-02 ppm1 0.752 ppm2 0.969 CV 1
OR { 1627}
( segid "UBI " and resid 26 and name HG2%)
( segid "UBI " and resid 23 and name HG2%)
ASSI { 1639}
( segid "UBI " and resid 43 and name HD2%)
(( segid "UBI " and resid 27 and name HA ))
3.300 1.400 1.400 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.81484E-03 ppm1 4.612 ppm2 0.754 CV 1
OR { 1639}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 27 and name HA ))
OR { 1639}
( segid "UBI " and resid 15 and name HD1%)
(( segid "UBI " and resid 27 and name HA ))
ASSI { 1649}
(( segid "UBI " and resid 67 and name HA ))
( segid "UBI " and resid 66 and name HG2%)
3.700 1.700 1.700 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.28558E-03 ppm1 0.858 ppm2 5.051 CV 1
OR { 1649}
(( segid "UBI " and resid 71 and name HA ))
( segid "UBI " and resid 70 and name HG2%)
ASSI { 1654}
( segid "UBI " and resid 67 and name HD1%)
(( segid "UBI " and resid 45 and name HB2 ))
3.200 1.300 1.300 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.11714E-02 ppm1 3.098 ppm2 0.617 CV 1
OR { 1654}
( segid "UBI " and resid 44 and name HG2%)
(( segid "UBI " and resid 45 and name HB2 ))
ASSI { 1661}
(( segid "UBI " and resid 61 and name HG11))
( segid "UBI " and resid 56 and name HD1%)
3.500 1.500 1.500 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.75929E-03 ppm1 0.599 ppm2 1.108 CV 1
OR { 1661}
( segid "UBI " and resid 55 and name HG2%)
( segid "UBI " and resid 56 and name HD1%)
ASSI { 1666}
(( segid "UBI " and resid 29 and name HG1 ))
(( segid "UBI " and resid 30 and name HA ))
3.300 3.300 2.700 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.11030E-02 ppm1 3.487 ppm2 1.731 CV 1
OR { 1666}
(( segid "UBI " and resid 27 and name HD1 ))
(( segid "UBI " and resid 30 and name HA ))
OR { 1666}
(( segid "UBI " and resid 27 and name HD2 ))
(( segid "UBI " and resid 30 and name HA ))
ASSI { 1669}
(( segid "UBI " and resid 69 and name HB2 ))
(( segid "UBI " and resid 5 and name HB ))
3.100 1.200 1.200 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.12056E-02 ppm1 1.886 ppm2 1.061 CV 1
OR { 1669}
(( segid "UBI " and resid 13 and name HG11))
(( segid "UBI " and resid 5 and name HB ))
OR { 1669}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 5 and name HB ))
ASSI { 1672}
( segid "UBI " and resid 61 and name HG2%)
(( segid "UBI " and resid 3 and name HB ))
3.600 1.600 1.600 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.62844E-03 ppm1 1.740 ppm2 0.455 CV 1
OR { 1672}
( segid "UBI " and resid 4 and name HD% )
(( segid "UBI " and resid 3 and name HB ))
ASSI { 1677}
(( segid "UBI " and resid 27 and name HG1 ))
(( segid "UBI " and resid 27 and name HB1 ))
2.500 0.800 0.800 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.48737E-02 ppm1 2.093 ppm2 1.565 CV 1
OR { 1677}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 29 and name HB2 ))
OR { 1677}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 27 and name HB1 ))
ASSI { 1683}
(( segid "UBI " and resid 31 and name HG1 ))
(( segid "UBI " and resid 37 and name HA ))
3.600 1.600 1.600 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.49677E-03 ppm1 4.613 ppm2 2.255 CV 1
OR { 1683}
(( segid "UBI " and resid 38 and name HB1 ))
(( segid "UBI " and resid 37 and name HA ))
ASSI { 1692}
(( segid "UBI " and resid 3 and name HB ))
(( segid "UBI " and resid 2 and name HA ))
2.500 2.500 3.500 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.63186E-02 ppm1 5.264 ppm2 1.691 CV 1
OR { 1692}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 2 and name HA ))
ASSI { 1736}
(( segid "UBI " and resid 36 and name HG11))
(( segid "UBI " and resid 34 and name HB1 ))
2.700 0.900 0.900 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.24795E-02 ppm1 2.262 ppm2 1.400 CV 1
OR { 1736}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 38 and name HB1 ))
ASSI { 1738}
(( segid "UBI " and resid 2 and name HG2 ))
(( segid "UBI " and resid 2 and name HG1 ))
1.700 0.400 0.500 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.30781E-01 ppm1 2.215 ppm2 1.863 CV 1
OR { 1738}
(( segid "UBI " and resid 31 and name HG2 ))
(( segid "UBI " and resid 31 and name HG1 ))
ASSI { 1745}
(( segid "UBI " and resid 27 and name HB1 ))
(( segid "UBI " and resid 27 and name HD2 ))
2.500 0.800 0.800 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.34286E-02 ppm1 1.702 ppm2 2.075 CV 1
OR { 1745}
(( segid "UBI " and resid 29 and name HB2 ))
(( segid "UBI " and resid 29 and name HD1 ))
OR { 1745}
(( segid "UBI " and resid 27 and name HB1 ))
(( segid "UBI " and resid 27 and name HD1 ))
ASSI { 1753}
( segid "UBI " and resid 61 and name HG2%)
(( segid "UBI " and resid 56 and name HB1 ))
3.600 1.600 1.600 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.70198E-03 ppm1 1.248 ppm2 0.447 CV 1
OR { 1753}
( segid "UBI " and resid 17 and name HG2%)
(( segid "UBI " and resid 56 and name HB1 ))
ASSI { 1759}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 3 and name HG11))
2.900 1.100 1.100 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.18297E-02 ppm1 1.026 ppm2 0.685 CV 1
OR { 1759}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 3 and name HG11))
OR { 1759}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 3 and name HG11))
ASSI { 1766}
(( segid "UBI " and resid 69 and name HB1 ))
( segid "UBI " and resid 69 and name HD2%)
2.400 0.700 0.700 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.49421E-02 ppm1 0.832 ppm2 1.500 CV 1
OR { 1766}
(( segid "UBI " and resid 71 and name HB2 ))
( segid "UBI " and resid 71 and name HD1%)
ASSI { 1769}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 50 and name HB2 ))
3.700 1.800 1.800 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.44204E-03 ppm1 0.991 ppm2 0.746 CV 1
OR { 1769}
( segid "UBI " and resid 43 and name HD1%)
(( segid "UBI " and resid 50 and name HB2 ))
ASSI { 1773}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 7 and name HB ))
4.200 2.200 1.800 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.25907E-03 ppm1 4.810 ppm2 0.687 CV 1
OR { 1773}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 7 and name HB ))
ASSI { 1775}
(( segid "UBI " and resid 23 and name HG12))
( segid "UBI " and resid 50 and name HD2%)
4.400 2.400 1.600 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.19495E-03 ppm1 0.503 ppm2 1.839 CV 1
OR { 1775}
(( segid "UBI " and resid 48 and name HB2 ))
( segid "UBI " and resid 50 and name HD2%)
OR { 1775}
(( segid "UBI " and resid 48 and name HB1 ))
( segid "UBI " and resid 50 and name HD2%)
ASSI { 1783}
(( segid "UBI " and resid 29 and name HD1 ))
( segid "UBI " and resid 17 and name HG1%)
2.900 1.100 1.100 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.19324E-02 ppm1 0.682 ppm2 1.751 CV 1
OR { 1783}
(( segid "UBI " and resid 29 and name HG1 ))
( segid "UBI " and resid 17 and name HG1%)
OR { 1783}
(( segid "UBI " and resid 3 and name HB ))
( segid "UBI " and resid 17 and name HG1%)
OR { 1783}
(( segid "UBI " and resid 16 and name HB2 ))
( segid "UBI " and resid 17 and name HG1%)
ASSI { 11}
( segid "UBI " and resid 67 and name HD1%)
( segid "UBI " and resid 45 and name HD% )
3.600 1.600 1.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.65863E-03 ppm1 7.317 ppm2 0.616 CV 1
OR { 11}
( segid "UBI " and resid 44 and name HG2%)
( segid "UBI " and resid 45 and name HD% )
ASSI { 26}
(( segid "UBI " and resid 54 and name HG1 ))
( segid "UBI " and resid 59 and name HE% )
3.300 1.400 1.400 peak 26 spectrum 1 weight 0.10000E+01 volume 0.92229E-03 ppm1 6.831 ppm2 1.827 CV 1
OR { 26}
(( segid "UBI " and resid 23 and name HG12))
( segid "UBI " and resid 59 and name HE% )
ASSI { 28}
(( segid "UIM " and resid 256 and name HD2 ))
(( segid "UIM " and resid 256 and name HG2 ))
3.000 1.100 1.100 peak 28 spectrum 1 weight 0.10000E+01 volume 0.14392E-02 ppm1 3.523 ppm2 2.009 CV 1
OR { 28}
(( segid "UIM " and resid 267 and name HA ))
(( segid "UIM " and resid 267 and name HB ))
ASSI { 36}
(( segid "UIM " and resid 260 and name HA ))
(( segid "UIM " and resid 260 and name HG1 ))
2.400 0.700 0.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.98680E-02 ppm1 4.020 ppm2 2.297 CV 1
OR { 36}
(( segid "UIM " and resid 260 and name HA ))
(( segid "UIM " and resid 260 and name HG2 ))
OR { 36}
(( segid "UIM " and resid 259 and name HA ))
(( segid "UIM " and resid 259 and name HG1 ))
OR { 36}
(( segid "UIM " and resid 259 and name HA ))
(( segid "UIM " and resid 259 and name HG2 ))
ASSI { 37}
(( segid "UIM " and resid 259 and name HA ))
(( segid "UIM " and resid 259 and name HB2 ))
1.900 0.500 0.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.29388E-01 ppm1 4.020 ppm2 2.082 CV 1
OR { 37}
(( segid "UIM " and resid 260 and name HA ))
(( segid "UIM " and resid 260 and name HB2 ))
OR { 37}
(( segid "UIM " and resid 259 and name HA ))
(( segid "UIM " and resid 259 and name HB1 ))
ASSI { 38}
(( segid "UIM " and resid 259 and name HB2 ))
(( segid "UIM " and resid 259 and name HA ))
2.000 0.500 0.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.24002E-01 ppm1 2.054 ppm2 4.051 CV 1
OR { 38}
(( segid "UIM " and resid 260 and name HB1 ))
(( segid "UIM " and resid 260 and name HA ))
OR { 38}
(( segid "UIM " and resid 259 and name HB1 ))
(( segid "UIM " and resid 259 and name HA ))
ASSI { 44}
(( segid "UIM " and resid 257 and name HB2 ))
(( segid "UIM " and resid 257 and name HG1 ))
1.800 0.400 0.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.48262E-01 ppm1 2.027 ppm2 2.300 CV 1
OR { 44}
(( segid "UIM " and resid 260 and name HB1 ))
(( segid "UIM " and resid 260 and name HG2 ))
OR { 44}
(( segid "UIM " and resid 261 and name HB2 ))
(( segid "UIM " and resid 261 and name HG2 ))
OR { 44}
(( segid "UIM " and resid 260 and name HB1 ))
(( segid "UIM " and resid 260 and name HG1 ))
OR { 44}
(( segid "UIM " and resid 257 and name HB2 ))
(( segid "UIM " and resid 257 and name HG2 ))
ASSI { 45}
(( segid "UIM " and resid 267 and name HA ))
(( segid "UIM " and resid 266 and name HA ))
3.500 1.500 1.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.11204E-02 ppm1 3.551 ppm2 4.038 CV 1
OR { 45}
(( segid "UIM " and resid 267 and name HA ))
(( segid "UIM " and resid 265 and name HA ))
ASSI { 47}
(( segid "UIM " and resid 259 and name HB2 ))
(( segid "UIM " and resid 259 and name HA ))
2.200 0.600 0.600 peak 47 spectrum 1 weight 0.10000E+01 volume 0.13272E-01 ppm1 2.057 ppm2 3.994 CV 1
OR { 47}
(( segid "UIM " and resid 260 and name HB1 ))
(( segid "UIM " and resid 260 and name HA ))
OR { 47}
(( segid "UIM " and resid 268 and name HB2 ))
(( segid "UIM " and resid 268 and name HA ))
OR { 47}
(( segid "UIM " and resid 259 and name HB1 ))
(( segid "UIM " and resid 259 and name HA ))
ASSI { 50}
(( segid "UIM " and resid 261 and name HG2 ))
(( segid "UIM " and resid 261 and name HB1 ))
1.800 0.400 0.400 peak 50 spectrum 1 weight 0.10000E+01 volume 0.49124E-01 ppm1 2.284 ppm2 2.080 CV 1
OR { 50}
(( segid "UIM " and resid 257 and name HG1 ))
(( segid "UIM " and resid 257 and name HB2 ))
OR { 50}
(( segid "UIM " and resid 260 and name HG1 ))
(( segid "UIM " and resid 260 and name HB2 ))
OR { 50}
(( segid "UIM " and resid 259 and name HG2 ))
(( segid "UIM " and resid 259 and name HB1 ))
OR { 50}
(( segid "UIM " and resid 259 and name HG1 ))
(( segid "UIM " and resid 259 and name HB2 ))
OR { 50}
(( segid "UIM " and resid 259 and name HG2 ))
(( segid "UIM " and resid 259 and name HB2 ))
OR { 50}
(( segid "UIM " and resid 259 and name HG1 ))
(( segid "UIM " and resid 259 and name HB1 ))
OR { 50}
(( segid "UIM " and resid 261 and name HG1 ))
(( segid "UIM " and resid 261 and name HB1 ))
OR { 50}
(( segid "UIM " and resid 257 and name HG2 ))
(( segid "UIM " and resid 257 and name HB2 ))
ASSI { 55}
(( segid "UIM " and resid 259 and name HB2 ))
( segid "UIM " and resid 263 and name HD1%)
3.900 1.900 1.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.70239E-03 ppm1 2.053 ppm2 0.745 CV 1
OR { 55}
(( segid "UIM " and resid 259 and name HB1 ))
( segid "UIM " and resid 263 and name HD1%)
OR { 55}
(( segid "UIM " and resid 268 and name HB2 ))
( segid "UIM " and resid 271 and name HD1%)
OR { 55}
(( segid "UIM " and resid 260 and name HB1 ))
( segid "UIM " and resid 263 and name HD1%)
ASSI { 56}
(( segid "UIM " and resid 268 and name HB2 ))
( segid "UIM " and resid 269 and name HD2%)
4.000 2.000 2.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.65068E-03 ppm1 2.053 ppm2 0.866 CV 1
OR { 56}
(( segid "UIM " and resid 268 and name HB2 ))
( segid "UIM " and resid 267 and name HG2%)
OR { 56}
(( segid "UIM " and resid 261 and name HB2 ))
( segid "UIM " and resid 262 and name HD2%)
OR { 56}
(( segid "UIM " and resid 268 and name HB2 ))
( segid "UIM " and resid 269 and name HD1%)
OR { 56}
(( segid "UIM " and resid 260 and name HB1 ))
( segid "UIM " and resid 263 and name HG2%)
OR { 56}
(( segid "UIM " and resid 259 and name HB2 ))
( segid "UIM " and resid 262 and name HD2%)
OR { 56}
(( segid "UIM " and resid 259 and name HB1 ))
( segid "UIM " and resid 262 and name HD2%)
ASSI { 57}
(( segid "UIM " and resid 268 and name HB2 ))
(( segid "UIM " and resid 269 and name HG ))
3.600 1.600 1.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.97388E-03 ppm1 2.060 ppm2 1.441 CV 1
OR { 57}
(( segid "UIM " and resid 268 and name HB2 ))
(( segid "UIM " and resid 265 and name HG2 ))
OR { 57}
(( segid "UIM " and resid 268 and name HB2 ))
( segid "UIM " and resid 266 and name HB% )
ASSI { 58}
(( segid "UIM " and resid 260 and name HB1 ))
(( segid "UIM " and resid 264 and name HG2 ))
3.500 1.600 1.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.14522E-02 ppm1 2.054 ppm2 1.544 CV 1
OR { 58}
(( segid "UIM " and resid 261 and name HB2 ))
(( segid "UIM " and resid 264 and name HG2 ))
OR { 58}
(( segid "UIM " and resid 259 and name HB2 ))
(( segid "UIM " and resid 262 and name HB1 ))
OR { 58}
(( segid "UIM " and resid 259 and name HB1 ))
(( segid "UIM " and resid 262 and name HB1 ))
OR { 58}
(( segid "UIM " and resid 261 and name HB2 ))
(( segid "UIM " and resid 262 and name HB1 ))
OR { 58}
(( segid "UIM " and resid 268 and name HB2 ))
(( segid "UIM " and resid 271 and name HB1 ))
ASSI { 59}
(( segid "UIM " and resid 263 and name HG11))
(( segid "UIM " and resid 259 and name HB2 ))
3.500 1.500 1.500 peak 59 spectrum 1 weight 0.10000E+01 volume 0.12970E-02 ppm1 1.656 ppm2 2.094 CV 1
OR { 59}
(( segid "UIM " and resid 263 and name HG11))
(( segid "UIM " and resid 259 and name HB1 ))
OR { 59}
(( segid "UIM " and resid 269 and name HB2 ))
(( segid "UIM " and resid 268 and name HB2 ))
OR { 59}
(( segid "UIM " and resid 269 and name HB1 ))
(( segid "UIM " and resid 268 and name HB2 ))
OR { 59}
(( segid "UIM " and resid 269 and name HB1 ))
(( segid "UIM " and resid 273 and name HB1 ))
OR { 59}
(( segid "UIM " and resid 267 and name HG11))
(( segid "UIM " and resid 268 and name HB2 ))
ASSI { 65}
(( segid "UIM " and resid 272 and name HB2 ))
(( segid "UIM " and resid 272 and name HG2 ))
2.100 0.600 0.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.13617E-01 ppm1 1.869 ppm2 1.457 CV 1
OR { 65}
(( segid "UIM " and resid 265 and name HB2 ))
(( segid "UIM " and resid 265 and name HG1 ))
OR { 65}
(( segid "UIM " and resid 265 and name HB1 ))
(( segid "UIM " and resid 265 and name HG2 ))
OR { 65}
(( segid "UIM " and resid 272 and name HB1 ))
(( segid "UIM " and resid 272 and name HG2 ))
OR { 65}
(( segid "UIM " and resid 265 and name HB1 ))
(( segid "UIM " and resid 265 and name HG1 ))
ASSI { 66}
(( segid "UIM " and resid 262 and name HB2 ))
(( segid "UIM " and resid 262 and name HB1 ))
1.700 0.300 0.500 peak 66 spectrum 1 weight 0.10000E+01 volume 0.30293E-01 ppm1 1.881 ppm2 1.523 CV 1
OR { 66}
(( segid "UIM " and resid 272 and name HB1 ))
(( segid "UIM " and resid 272 and name HG1 ))
ASSI { 68}
(( segid "UIM " and resid 271 and name HB1 ))
(( segid "UIM " and resid 271 and name HB2 ))
1.500 0.300 0.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.54295E-01 ppm1 1.534 ppm2 1.758 CV 1
OR { 68}
(( segid "UIM " and resid 264 and name HG2 ))
(( segid "UIM " and resid 264 and name HG1 ))
ASSI { 72}
(( segid "UIM " and resid 271 and name HB1 ))
( segid "UIM " and resid 271 and name HD2%)
2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.10773E-01 ppm1 1.527 ppm2 0.870 CV 1
OR { 72}
(( segid "UIM " and resid 262 and name HB1 ))
( segid "UIM " and resid 262 and name HD2%)
ASSI { 77}
(( segid "UIM " and resid 264 and name HG1 ))
(( segid "UIM " and resid 264 and name HB2 ))
1.800 0.400 0.400 peak 77 spectrum 1 weight 0.10000E+01 volume 0.36154E-01 ppm1 1.730 ppm2 1.916 CV 1
OR { 77}
(( segid "UIM " and resid 262 and name HG ))
(( segid "UIM " and resid 262 and name HB2 ))
OR { 77}
(( segid "UIM " and resid 264 and name HG1 ))
(( segid "UIM " and resid 264 and name HB1 ))
ASSI { 79}
(( segid "UIM " and resid 262 and name HB2 ))
( segid "UIM " and resid 262 and name HD2%)
2.500 0.800 0.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.87906E-02 ppm1 1.884 ppm2 0.866 CV 1
OR { 79}
(( segid "UIM " and resid 264 and name HB1 ))
( segid "UIM " and resid 263 and name HG2%)
OR { 79}
(( segid "UIM " and resid 265 and name HB1 ))
( segid "UIM " and resid 269 and name HD1%)
OR { 79}
(( segid "UIM " and resid 264 and name HB2 ))
( segid "UIM " and resid 263 and name HG2%)
OR { 79}
(( segid "UIM " and resid 265 and name HB2 ))
( segid "UIM " and resid 269 and name HD1%)
OR { 79}
(( segid "UIM " and resid 264 and name HB1 ))
( segid "UIM " and resid 267 and name HG2%)
ASSI { 80}
(( segid "UIM " and resid 264 and name HB2 ))
(( segid "UIM " and resid 264 and name HD2 ))
2.500 0.800 0.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.65930E-02 ppm1 1.889 ppm2 3.206 CV 1
OR { 80}
(( segid "UIM " and resid 264 and name HB1 ))
(( segid "UIM " and resid 264 and name HD2 ))
OR { 80}
(( segid "UIM " and resid 264 and name HB1 ))
(( segid "UIM " and resid 264 and name HD1 ))
OR { 80}
(( segid "UIM " and resid 275 and name HB2 ))
(( segid "UIM " and resid 275 and name HD1 ))
OR { 80}
(( segid "UIM " and resid 264 and name HB2 ))
(( segid "UIM " and resid 264 and name HD1 ))
ASSI { 83}
(( segid "UIM " and resid 262 and name HB1 ))
(( segid "UIM " and resid 262 and name HA ))
2.300 0.700 0.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.87047E-02 ppm1 1.498 ppm2 4.062 CV 1
OR { 83}
(( segid "UIM " and resid 269 and name HG ))
(( segid "UIM " and resid 269 and name HA ))
OR { 83}
(( segid "UIM " and resid 269 and name HG ))
(( segid "UIM " and resid 266 and name HA ))
ASSI { 84}
(( segid "UIM " and resid 264 and name HG2 ))
(( segid "UIM " and resid 264 and name HA ))
3.700 1.700 1.700 peak 84 spectrum 1 weight 0.10000E+01 volume 0.91781E-03 ppm1 1.538 ppm2 3.963 CV 1
OR { 84}
(( segid "UIM " and resid 271 and name HB1 ))
(( segid "UIM " and resid 268 and name HA ))
ASSI { 86}
(( segid "UIM " and resid 262 and name HG ))
(( segid "UIM " and resid 262 and name HA ))
2.900 1.000 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.29862E-02 ppm1 1.728 ppm2 4.055 CV 1
OR { 86}
(( segid "UIM " and resid 262 and name HG ))
(( segid "UIM " and resid 259 and name HA ))
ASSI { 87}
(( segid "UIM " and resid 265 and name HB2 ))
(( segid "UIM " and resid 265 and name HA ))
2.000 0.500 0.500 peak 87 spectrum 1 weight 0.10000E+01 volume 0.23873E-01 ppm1 1.877 ppm2 4.058 CV 1
OR { 87}
(( segid "UIM " and resid 265 and name HB1 ))
(( segid "UIM " and resid 265 and name HA ))
OR { 87}
(( segid "UIM " and resid 265 and name HB2 ))
(( segid "UIM " and resid 262 and name HA ))
OR { 87}
(( segid "UIM " and resid 262 and name HB2 ))
(( segid "UIM " and resid 262 and name HA ))
OR { 87}
(( segid "UIM " and resid 262 and name HB2 ))
(( segid "UIM " and resid 259 and name HA ))
OR { 87}
(( segid "UIM " and resid 265 and name HB1 ))
(( segid "UIM " and resid 262 and name HA ))
ASSI { 94}
(( segid "UIM " and resid 263 and name HG11))
(( segid "UIM " and resid 263 and name HB ))
2.000 0.500 0.500 peak 94 spectrum 1 weight 0.10000E+01 volume 0.12281E-01 ppm1 1.662 ppm2 1.984 CV 1
OR { 94}
(( segid "UIM " and resid 267 and name HG11))
(( segid "UIM " and resid 267 and name HB ))
ASSI { 95}
(( segid "UIM " and resid 275 and name HB2 ))
(( segid "UIM " and resid 275 and name HG1 ))
2.000 0.500 0.500 peak 95 spectrum 1 weight 0.10000E+01 volume 0.25208E-01 ppm1 1.902 ppm2 1.678 CV 1
OR { 95}
(( segid "UIM " and resid 275 and name HB2 ))
(( segid "UIM " and resid 275 and name HG2 ))
OR { 95}
(( segid "UIM " and resid 272 and name HB1 ))
(( segid "UIM " and resid 272 and name HD2 ))
OR { 95}
(( segid "UIM " and resid 272 and name HB2 ))
(( segid "UIM " and resid 272 and name HD1 ))
OR { 95}
(( segid "UIM " and resid 272 and name HB2 ))
(( segid "UIM " and resid 272 and name HD2 ))
ASSI { 97}
( segid "UIM " and resid 266 and name HB% )
(( segid "UIM " and resid 267 and name HG11))
2.300 2.300 3.700 peak 97 spectrum 1 weight 0.10000E+01 volume 0.15987E-01 ppm1 1.396 ppm2 1.680 CV 1
OR { 97}
( segid "UIM " and resid 266 and name HB% )
(( segid "UIM " and resid 263 and name HG11))
ASSI { 101}
(( segid "UIM " and resid 269 and name HB1 ))
(( segid "UIM " and resid 269 and name HA ))
2.500 0.800 0.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.62913E-02 ppm1 1.649 ppm2 4.057 CV 1
OR { 101}
(( segid "UIM " and resid 269 and name HB2 ))
(( segid "UIM " and resid 269 and name HA ))
OR { 101}
(( segid "UIM " and resid 269 and name HB2 ))
(( segid "UIM " and resid 266 and name HA ))
ASSI { 106}
(( segid "UIM " and resid 263 and name HB ))
(( segid "UIM " and resid 263 and name HA ))
3.700 1.700 1.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.53003E-03 ppm1 1.912 ppm2 3.708 CV 1
OR { 106}
(( segid "UIM " and resid 262 and name HB2 ))
(( segid "UIM " and resid 263 and name HA ))
ASSI { 108}
( segid "UIM " and resid 267 and name HG2%)
(( segid "UIM " and resid 268 and name HG2 ))
3.400 1.500 1.500 peak 108 spectrum 1 weight 0.10000E+01 volume 0.84456E-03 ppm1 0.840 ppm2 2.363 CV 1
OR { 108}
( segid "UIM " and resid 267 and name HG2%)
(( segid "UIM " and resid 268 and name HG1 ))
OR { 108}
( segid "UIM " and resid 269 and name HD2%)
(( segid "UIM " and resid 268 and name HG2 ))
OR { 108}
( segid "UIM " and resid 269 and name HD2%)
(( segid "UIM " and resid 268 and name HG1 ))
OR { 108}
( segid "UIM " and resid 269 and name HD1%)
(( segid "UIM " and resid 273 and name HG2 ))
OR { 108}
( segid "UIM " and resid 269 and name HD1%)
(( segid "UIM " and resid 273 and name HG1 ))
ASSI { 109}
( segid "UIM " and resid 262 and name HD2%)
(( segid "UIM " and resid 261 and name HG2 ))
3.200 1.300 1.300 peak 109 spectrum 1 weight 0.10000E+01 volume 0.11419E-02 ppm1 0.844 ppm2 2.306 CV 1
OR { 109}
( segid "UIM " and resid 262 and name HD2%)
(( segid "UIM " and resid 261 and name HG1 ))
OR { 109}
( segid "UIM " and resid 263 and name HG2%)
(( segid "UIM " and resid 260 and name HG1 ))
OR { 109}
( segid "UIM " and resid 263 and name HG2%)
(( segid "UIM " and resid 259 and name HG1 ))
OR { 109}
( segid "UIM " and resid 263 and name HG2%)
(( segid "UIM " and resid 259 and name HG2 ))
OR { 109}
( segid "UIM " and resid 262 and name HD2%)
(( segid "UIM " and resid 259 and name HG1 ))
ASSI { 111}
(( segid "UIM " and resid 263 and name HG11))
(( segid "UIM " and resid 263 and name HB ))
2.000 0.500 0.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.18874E-01 ppm1 1.638 ppm2 1.925 CV 1
OR { 111}
(( segid "UIM " and resid 275 and name HG1 ))
(( segid "UIM " and resid 275 and name HB2 ))
OR { 111}
(( segid "UIM " and resid 275 and name HG2 ))
(( segid "UIM " and resid 275 and name HB2 ))
OR { 111}
(( segid "UIM " and resid 272 and name HD2 ))
(( segid "UIM " and resid 272 and name HB1 ))
OR { 111}
(( segid "UIM " and resid 272 and name HD1 ))
(( segid "UIM " and resid 272 and name HB2 ))
OR { 111}
(( segid "UIM " and resid 272 and name HD2 ))
(( segid "UIM " and resid 272 and name HB2 ))
ASSI { 119}
(( segid "UIM " and resid 267 and name HB ))
( segid "UIM " and resid 267 and name HG2%)
1.900 0.400 0.400 peak 119 spectrum 1 weight 0.10000E+01 volume 0.23097E-01 ppm1 1.944 ppm2 0.866 CV 1
OR { 119}
(( segid "UIM " and resid 263 and name HB ))
( segid "UIM " and resid 263 and name HG2%)
ASSI { 121}
(( segid "UIM " and resid 271 and name HG ))
( segid "UIM " and resid 271 and name HD2%)
1.800 0.400 0.400 peak 121 spectrum 1 weight 0.10000E+01 volume 0.34516E-01 ppm1 1.629 ppm2 0.871 CV 1
OR { 121}
(( segid "UIM " and resid 269 and name HB2 ))
( segid "UIM " and resid 269 and name HD1%)
OR { 121}
(( segid "UIM " and resid 269 and name HB1 ))
( segid "UIM " and resid 269 and name HD2%)
OR { 121}
(( segid "UIM " and resid 269 and name HB1 ))
( segid "UIM " and resid 269 and name HD1%)
OR { 121}
(( segid "UIM " and resid 269 and name HB2 ))
( segid "UIM " and resid 269 and name HD2%)
ASSI { 132}
( segid "UIM " and resid 271 and name HD2%)
(( segid "UIM " and resid 271 and name HB1 ))
2.600 0.800 0.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.39170E-02 ppm1 0.896 ppm2 1.524 CV 1
OR { 132}
( segid "UIM " and resid 262 and name HD1%)
(( segid "UIM " and resid 262 and name HB1 ))
OR { 132}
( segid "UIM " and resid 262 and name HD2%)
(( segid "UIM " and resid 262 and name HB1 ))
ASSI { 134}
( segid "UIM " and resid 269 and name HD1%)
(( segid "UIM " and resid 269 and name HB2 ))
1.900 0.500 0.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.30121E-01 ppm1 0.840 ppm2 1.657 CV 1
OR { 134}
( segid "UIM " and resid 269 and name HD2%)
(( segid "UIM " and resid 269 and name HB1 ))
OR { 134}
( segid "UIM " and resid 269 and name HD1%)
(( segid "UIM " and resid 269 and name HB1 ))
OR { 134}
( segid "UIM " and resid 267 and name HG2%)
(( segid "UIM " and resid 267 and name HG11))
OR { 134}
( segid "UIM " and resid 269 and name HD2%)
(( segid "UIM " and resid 269 and name HB2 ))
ASSI { 135}
( segid "UIM " and resid 262 and name HD2%)
(( segid "UIM " and resid 262 and name HG ))
2.300 0.600 0.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.10859E-01 ppm1 0.840 ppm2 1.762 CV 1
OR { 135}
( segid "UIM " and resid 271 and name HD2%)
(( segid "UIM " and resid 271 and name HB2 ))
ASSI { 136}
( segid "UIM " and resid 263 and name HD1%)
(( segid "UIM " and resid 263 and name HB ))
2.600 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.52571E-02 ppm1 0.747 ppm2 1.981 CV 1
OR { 136}
( segid "UIM " and resid 267 and name HD1%)
(( segid "UIM " and resid 267 and name HB ))
ASSI { 138}
( segid "UIM " and resid 263 and name HD1%)
(( segid "UIM " and resid 263 and name HG11))
2.100 0.500 0.500 peak 138 spectrum 1 weight 0.10000E+01 volume 0.11333E-01 ppm1 0.757 ppm2 1.639 CV 1
OR { 138}
( segid "UIM " and resid 271 and name HD1%)
(( segid "UIM " and resid 271 and name HG ))
ASSI { 140}
( segid "UIM " and resid 262 and name HD2%)
(( segid "UIM " and resid 261 and name HB1 ))
3.300 1.400 1.400 peak 140 spectrum 1 weight 0.10000E+01 volume 0.10773E-02 ppm1 0.840 ppm2 2.084 CV 1
OR { 140}
( segid "UIM " and resid 269 and name HD2%)
(( segid "UIM " and resid 268 and name HB2 ))
OR { 140}
( segid "UIM " and resid 267 and name HG2%)
(( segid "UIM " and resid 268 and name HB2 ))
OR { 140}
( segid "UIM " and resid 262 and name HD2%)
(( segid "UIM " and resid 259 and name HB2 ))
OR { 140}
( segid "UIM " and resid 262 and name HD2%)
(( segid "UIM " and resid 259 and name HB1 ))
OR { 140}
( segid "UIM " and resid 263 and name HG2%)
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ASSI { 146}
( segid "UIM " and resid 269 and name HD2%)
(( segid "UIM " and resid 269 and name HA ))
2.100 0.600 0.600 peak 146 spectrum 1 weight 0.10000E+01 volume 0.17495E-01 ppm1 0.836 ppm2 4.057 CV 1
OR { 146}
( segid "UIM " and resid 262 and name HD2%)
(( segid "UIM " and resid 262 and name HA ))
OR { 146}
( segid "UIM " and resid 269 and name HD1%)
(( segid "UIM " and resid 266 and name HA ))
ASSI { 149}
( segid "UIM " and resid 271 and name HD1%)
(( segid "UIM " and resid 268 and name HA ))
3.100 1.200 1.200 peak 149 spectrum 1 weight 0.10000E+01 volume 0.18702E-02 ppm1 0.754 ppm2 3.962 CV 1
OR { 149}
( segid "UIM " and resid 267 and name HD1%)
(( segid "UIM " and resid 264 and name HA ))
ASSI { 150}
( segid "UIM " and resid 271 and name HD2%)
(( segid "UIM " and resid 274 and name HB2 ))
4.500 2.600 1.500 peak 150 spectrum 1 weight 0.10000E+01 volume 0.27018E-03 ppm1 0.845 ppm2 3.841 CV 1
OR { 150}
( segid "UIM " and resid 271 and name HD2%)
(( segid "UIM " and resid 270 and name HB1 ))
OR { 150}
( segid "UIM " and resid 267 and name HG2%)
(( segid "UIM " and resid 270 and name HB1 ))
OR { 150}
( segid "UIM " and resid 271 and name HD2%)
(( segid "UIM " and resid 274 and name HB1 ))
ASSI { 156}
(( segid "UIM " and resid 262 and name HA ))
( segid "UIM " and resid 262 and name HD2%)
2.000 0.500 0.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.22019E-01 ppm1 4.026 ppm2 0.869 CV 1
OR { 156}
(( segid "UIM " and resid 266 and name HA ))
( segid "UIM " and resid 269 and name HD1%)
OR { 156}
(( segid "UIM " and resid 260 and name HA ))
( segid "UIM " and resid 263 and name HG2%)
ASSI { 157}
(( segid "UIM " and resid 262 and name HA ))
( segid "UIM " and resid 262 and name HD1%)
2.400 0.700 0.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.12367E-01 ppm1 4.023 ppm2 0.922 CV 1
OR { 157}
(( segid "UIM " and resid 259 and name HA ))
( segid "UIM " and resid 262 and name HD1%)
ASSI { 158}
(( segid "UIM " and resid 264 and name HA ))
( segid "UIM " and resid 263 and name HG2%)
2.400 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.96955E-02 ppm1 3.964 ppm2 0.867 CV 1
OR { 158}
(( segid "UIM " and resid 268 and name HA ))
( segid "UIM " and resid 267 and name HG2%)
OR { 158}
(( segid "UIM " and resid 264 and name HA ))
( segid "UIM " and resid 267 and name HG2%)
OR { 158}
(( segid "UIM " and resid 268 and name HA ))
( segid "UIM " and resid 271 and name HD2%)
ASSI { 161}
(( segid "UIM " and resid 260 and name HA ))
( segid "UIM " and resid 263 and name HD1%)
2.900 1.100 1.100 peak 161 spectrum 1 weight 0.10000E+01 volume 0.27664E-02 ppm1 4.009 ppm2 0.740 CV 1
OR { 161}
(( segid "UIM " and resid 259 and name HA ))
( segid "UIM " and resid 263 and name HD1%)
ASSI { 175}
(( segid "UIM " and resid 266 and name HA ))
( segid "UIM " and resid 266 and name HB% )
2.100 0.500 0.500 peak 175 spectrum 1 weight 0.10000E+01 volume 0.16461E-01 ppm1 4.019 ppm2 1.430 CV 1
OR { 175}
(( segid "UIM " and resid 265 and name HA ))
(( segid "UIM " and resid 265 and name HG1 ))
OR { 175}
(( segid "UIM " and resid 265 and name HA ))
(( segid "UIM " and resid 265 and name HG2 ))
ASSI { 177}
(( segid "UIM " and resid 266 and name HA ))
(( segid "UIM " and resid 269 and name HB2 ))
2.600 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.58173E-02 ppm1 4.020 ppm2 1.613 CV 1
OR { 177}
(( segid "UIM " and resid 260 and name HA ))
(( segid "UIM " and resid 263 and name HG11))
OR { 177}
(( segid "UIM " and resid 262 and name HA ))
(( segid "UIM " and resid 265 and name HD2 ))
OR { 177}
(( segid "UIM " and resid 265 and name HA ))
(( segid "UIM " and resid 265 and name HD2 ))
OR { 177}
(( segid "UIM " and resid 265 and name HA ))
(( segid "UIM " and resid 265 and name HD1 ))
OR { 177}
(( segid "UIM " and resid 266 and name HA ))
(( segid "UIM " and resid 269 and name HB1 ))
ASSI { 178}
(( segid "UIM " and resid 260 and name HA ))
(( segid "UIM " and resid 263 and name HG11))
2.700 2.700 3.300 peak 178 spectrum 1 weight 0.10000E+01 volume 0.45246E-02 ppm1 4.020 ppm2 1.681 CV 1
OR { 178}
(( segid "UIM " and resid 259 and name HA ))
(( segid "UIM " and resid 263 and name HG11))
OR { 178}
(( segid "UIM " and resid 262 and name HA ))
(( segid "UIM " and resid 263 and name HG11))
ASSI { 179}
(( segid "UIM " and resid 269 and name HA ))
(( segid "UIM " and resid 269 and name HB1 ))
2.300 0.700 0.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.89631E-02 ppm1 4.069 ppm2 1.623 CV 1
OR { 179}
(( segid "UIM " and resid 269 and name HA ))
(( segid "UIM " and resid 269 and name HB2 ))
OR { 179}
(( segid "UIM " and resid 266 and name HA ))
(( segid "UIM " and resid 269 and name HB2 ))
OR { 179}
(( segid "UIM " and resid 266 and name HA ))
(( segid "UIM " and resid 269 and name HB1 ))
ASSI { 180}
(( segid "UIM " and resid 261 and name HA ))
(( segid "UIM " and resid 264 and name HG2 ))
2.900 1.100 1.100 peak 180 spectrum 1 weight 0.10000E+01 volume 0.27492E-02 ppm1 4.131 ppm2 1.553 CV 1
OR { 180}
(( segid "UIM " and resid 272 and name HA ))
(( segid "UIM " and resid 272 and name HG1 ))
ASSI { 182}
(( segid "UIM " and resid 271 and name HA ))
(( segid "UIM " and resid 271 and name HG ))
2.700 0.900 0.900 peak 182 spectrum 1 weight 0.10000E+01 volume 0.44815E-02 ppm1 4.191 ppm2 1.634 CV 1
OR { 182}
(( segid "UIM " and resid 270 and name HA ))
(( segid "UIM " and resid 269 and name HB2 ))
ASSI { 183}
(( segid "UIM " and resid 271 and name HA ))
(( segid "UIM " and resid 271 and name HB1 ))
2.300 0.700 0.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.79722E-02 ppm1 4.188 ppm2 1.562 CV 1
OR { 183}
(( segid "UIM " and resid 272 and name HA ))
(( segid "UIM " and resid 272 and name HG1 ))
ASSI { 186}
(( segid "UIM " and resid 268 and name HA ))
(( segid "UIM " and resid 271 and name HB2 ))
2.700 0.900 0.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.35507E-02 ppm1 3.964 ppm2 1.771 CV 1
OR { 186}
(( segid "UIM " and resid 264 and name HA ))
(( segid "UIM " and resid 264 and name HG1 ))
ASSI { 192}
(( segid "UIM " and resid 256 and name HA ))
(( segid "UIM " and resid 256 and name HG1 ))
3.500 1.500 1.500 peak 192 spectrum 1 weight 0.10000E+01 volume 0.18099E-02 ppm1 4.442 ppm2 2.078 CV 1
OR { 192}
(( segid "UIM " and resid 274 and name HA ))
(( segid "UIM " and resid 273 and name HB1 ))
OR { 192}
(( segid "UIM " and resid 255 and name HA ))
(( segid "UIM " and resid 256 and name HG1 ))
ASSI { 194}
(( segid "UIM " and resid 258 and name HA ))
(( segid "UIM " and resid 261 and name HG2 ))
3.900 1.900 1.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.79289E-03 ppm1 4.540 ppm2 2.308 CV 1
OR { 194}
(( segid "UIM " and resid 258 and name HA ))
(( segid "UIM " and resid 261 and name HG1 ))
OR { 194}
(( segid "UIM " and resid 258 and name HA ))
(( segid "UIM " and resid 259 and name HG2 ))
OR { 194}
(( segid "UIM " and resid 258 and name HA ))
(( segid "UIM " and resid 259 and name HG1 ))
ASSI { 195}
(( segid "UIM " and resid 258 and name HA ))
(( segid "UIM " and resid 261 and name HB2 ))
3.300 1.400 1.400 peak 195 spectrum 1 weight 0.10000E+01 volume 0.13832E-02 ppm1 4.541 ppm2 2.064 CV 1
OR { 195}
(( segid "UIM " and resid 258 and name HA ))
(( segid "UIM " and resid 257 and name HB2 ))
OR { 195}
(( segid "UIM " and resid 258 and name HA ))
(( segid "UIM " and resid 259 and name HB1 ))
ASSI { 197}
(( segid "UIM " and resid 270 and name HA ))
(( segid "UIM " and resid 270 and name HB1 ))
2.400 0.700 0.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.76273E-02 ppm1 4.206 ppm2 3.861 CV 1
OR { 197}
(( segid "UIM " and resid 271 and name HA ))
(( segid "UIM " and resid 274 and name HB2 ))
ASSI { 204}
(( segid "UIM " and resid 273 and name HA ))
(( segid "UIM " and resid 273 and name HB2 ))
2.500 0.800 0.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.69377E-02 ppm1 4.241 ppm2 2.043 CV 1
OR { 204}
(( segid "UIM " and resid 257 and name HA ))
(( segid "UIM " and resid 257 and name HB2 ))
ASSI { 205}
(( segid "UIM " and resid 270 and name HA ))
(( segid "UIM " and resid 273 and name HB1 ))
2.700 0.900 0.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.65930E-02 ppm1 4.206 ppm2 2.113 CV 1
OR { 205}
(( segid "UIM " and resid 257 and name HA ))
(( segid "UIM " and resid 260 and name HB2 ))
ASSI { 208}
(( segid "UIM " and resid 262 and name HG ))
(( segid "UIM " and resid 261 and name HB1 ))
3.100 1.200 1.200 peak 208 spectrum 1 weight 0.10000E+01 volume 0.15082E-02 ppm1 1.727 ppm2 2.075 CV 1
OR { 208}
(( segid "UIM " and resid 264 and name HG1 ))
(( segid "UIM " and resid 261 and name HB2 ))
OR { 208}
(( segid "UIM " and resid 264 and name HG1 ))
(( segid "UIM " and resid 261 and name HB1 ))
OR { 208}
(( segid "UIM " and resid 262 and name HG ))
(( segid "UIM " and resid 259 and name HB2 ))
OR { 208}
(( segid "UIM " and resid 264 and name HG1 ))
(( segid "UIM " and resid 268 and name HB2 ))
OR { 208}
(( segid "UIM " and resid 262 and name HG ))
(( segid "UIM " and resid 259 and name HB1 ))
ASSI { 215}
( segid "UIM " and resid 263 and name HD1%)
(( segid "UIM " and resid 263 and name HG11))
2.100 0.600 0.600 peak 215 spectrum 1 weight 0.10000E+01 volume 0.10428E-01 ppm1 0.744 ppm2 1.676 CV 1
OR { 215}
( segid "UIM " and resid 267 and name HD1%)
(( segid "UIM " and resid 267 and name HG11))
ASSI { 219}
(( segid "UIM " and resid 270 and name HB2 ))
(( segid "UIM " and resid 267 and name HA ))
3.000 1.200 1.200 peak 219 spectrum 1 weight 0.10000E+01 volume 0.21373E-02 ppm1 4.009 ppm2 3.584 CV 1
OR { 219}
(( segid "UIM " and resid 268 and name HA ))
(( segid "UIM " and resid 267 and name HA ))
OR { 219}
(( segid "UIM " and resid 266 and name HA ))
(( segid "UIM " and resid 267 and name HA ))
ASSI { 221}
(( segid "UIM " and resid 262 and name HA ))
(( segid "UIM " and resid 265 and name HE2 ))
3.700 1.700 1.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.88339E-03 ppm1 4.037 ppm2 2.953 CV 1
OR { 221}
(( segid "UIM " and resid 262 and name HA ))
(( segid "UIM " and resid 265 and name HE1 ))
OR { 221}
(( segid "UIM " and resid 265 and name HA ))
(( segid "UIM " and resid 265 and name HE1 ))
OR { 221}
(( segid "UIM " and resid 265 and name HA ))
(( segid "UIM " and resid 265 and name HE2 ))
ASSI { 226}
(( segid "UIM " and resid 265 and name HA ))
(( segid "UIM " and resid 265 and name HB2 ))
1.900 0.400 0.400 peak 226 spectrum 1 weight 0.10000E+01 volume 0.30982E-01 ppm1 4.028 ppm2 1.909 CV 1
OR { 226}
(( segid "UIM " and resid 265 and name HA ))
(( segid "UIM " and resid 265 and name HB1 ))
OR { 226}
(( segid "UIM " and resid 262 and name HA ))
(( segid "UIM " and resid 265 and name HB2 ))
OR { 226}
(( segid "UIM " and resid 262 and name HA ))
(( segid "UIM " and resid 262 and name HB2 ))
OR { 226}
(( segid "UIM " and resid 262 and name HA ))
(( segid "UIM " and resid 265 and name HB1 ))
ASSI { 227}
(( segid "UIM " and resid 268 and name HA ))
(( segid "UIM " and resid 271 and name HB2 ))
2.600 0.800 0.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.50417E-02 ppm1 4.018 ppm2 1.757 CV 1
OR { 227}
(( segid "UIM " and resid 262 and name HA ))
(( segid "UIM " and resid 262 and name HG ))
OR { 227}
(( segid "UIM " and resid 259 and name HA ))
(( segid "UIM " and resid 262 and name HG ))
ASSI { 233}
(( segid "UIM " and resid 259 and name HG1 ))
( segid "UIM " and resid 263 and name HD1%)
3.500 1.500 1.500 peak 233 spectrum 1 weight 0.10000E+01 volume 0.87473E-03 ppm1 2.275 ppm2 0.738 CV 1
OR { 233}
(( segid "UIM " and resid 259 and name HG2 ))
( segid "UIM " and resid 263 and name HD1%)
OR { 233}
(( segid "UIM " and resid 260 and name HG1 ))
( segid "UIM " and resid 263 and name HD1%)
ASSI { 234}
(( segid "UIM " and resid 261 and name HG2 ))
( segid "UIM " and resid 262 and name HD2%)
4.800 2.900 1.200 peak 234 spectrum 1 weight 0.10000E+01 volume 0.18314E-03 ppm1 2.275 ppm2 0.874 CV 1
OR { 234}
(( segid "UIM " and resid 261 and name HG1 ))
( segid "UIM " and resid 262 and name HD2%)
OR { 234}
(( segid "UIM " and resid 260 and name HG1 ))
( segid "UIM " and resid 263 and name HG2%)
OR { 234}
(( segid "UIM " and resid 260 and name HG2 ))
( segid "UIM " and resid 263 and name HG2%)
OR { 234}
(( segid "UIM " and resid 261 and name HG2 ))
( segid "UIM " and resid 262 and name HD1%)
OR { 234}
(( segid "UIM " and resid 259 and name HG1 ))
( segid "UIM " and resid 263 and name HG2%)
OR { 234}
(( segid "UIM " and resid 261 and name HG1 ))
( segid "UIM " and resid 262 and name HD1%)
OR { 234}
(( segid "UIM " and resid 259 and name HG1 ))
( segid "UIM " and resid 262 and name HD1%)
OR { 234}
(( segid "UIM " and resid 259 and name HG2 ))
( segid "UIM " and resid 263 and name HG2%)
ASSI { 235}
(( segid "UIM " and resid 261 and name HG2 ))
( segid "UIM " and resid 262 and name HD1%)
4.400 2.500 1.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.32276E-03 ppm1 2.271 ppm2 0.922 CV 1
OR { 235}
(( segid "UIM " and resid 261 and name HG1 ))
( segid "UIM " and resid 262 and name HD1%)
OR { 235}
(( segid "UIM " and resid 259 and name HG1 ))
( segid "UIM " and resid 262 and name HD1%)
OR { 235}
(( segid "UIM " and resid 259 and name HG2 ))
( segid "UIM " and resid 262 and name HD1%)
ASSI { 236}
(( segid "UIM " and resid 259 and name HB2 ))
( segid "UIM " and resid 262 and name HD1%)
4.300 2.300 1.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.45677E-03 ppm1 2.043 ppm2 0.932 CV 1
OR { 236}
(( segid "UIM " and resid 259 and name HB1 ))
( segid "UIM " and resid 262 and name HD1%)
OR { 236}
(( segid "UIM " and resid 261 and name HB2 ))
( segid "UIM " and resid 262 and name HD1%)
ASSI { 239}
( segid "UIM " and resid 262 and name HD2%)
(( segid "UIM " and resid 261 and name HG2 ))
3.300 1.300 1.300 peak 239 spectrum 1 weight 0.10000E+01 volume 0.89197E-03 ppm1 0.894 ppm2 2.296 CV 1
OR { 239}
( segid "UIM " and resid 262 and name HD2%)
(( segid "UIM " and resid 261 and name HG1 ))
OR { 239}
( segid "UIM " and resid 262 and name HD1%)
(( segid "UIM " and resid 259 and name HG1 ))
OR { 239}
( segid "UIM " and resid 262 and name HD1%)
(( segid "UIM " and resid 259 and name HG2 ))
OR { 239}
( segid "UIM " and resid 262 and name HD2%)
(( segid "UIM " and resid 259 and name HG1 ))
OR { 239}
( segid "UIM " and resid 262 and name HD2%)
(( segid "UIM " and resid 259 and name HG2 ))
ASSI { 240}
( segid "UIM " and resid 262 and name HD2%)
(( segid "UIM " and resid 261 and name HB1 ))
3.700 1.700 1.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.63775E-03 ppm1 0.899 ppm2 2.089 CV 1
OR { 240}
( segid "UIM " and resid 262 and name HD1%)
(( segid "UIM " and resid 261 and name HB1 ))
OR { 240}
( segid "UIM " and resid 262 and name HD1%)
(( segid "UIM " and resid 259 and name HB2 ))
OR { 240}
( segid "UIM " and resid 262 and name HD1%)
(( segid "UIM " and resid 259 and name HB1 ))
ASSI { 253}
(( segid "UIM " and resid 260 and name HG2 ))
(( segid "UIM " and resid 257 and name HB1 ))
2.800 1.000 1.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.43953E-02 ppm1 2.259 ppm2 1.941 CV 1
OR { 253}
(( segid "UIM " and resid 260 and name HG1 ))
(( segid "UIM " and resid 263 and name HB ))
OR { 253}
(( segid "UIM " and resid 260 and name HG1 ))
(( segid "UIM " and resid 257 and name HB1 ))
OR { 253}
(( segid "UIM " and resid 260 and name HG2 ))
(( segid "UIM " and resid 263 and name HB ))
OR { 253}
(( segid "UIM " and resid 259 and name HG1 ))
(( segid "UIM " and resid 263 and name HB ))
OR { 253}
(( segid "UIM " and resid 259 and name HG2 ))
(( segid "UIM " and resid 257 and name HB1 ))
OR { 253}
(( segid "UIM " and resid 259 and name HG2 ))
(( segid "UIM " and resid 263 and name HB ))
OR { 253}
(( segid "UIM " and resid 259 and name HG1 ))
(( segid "UIM " and resid 257 and name HB1 ))
OR { 253}
(( segid "UIM " and resid 261 and name HG1 ))
(( segid "UIM " and resid 264 and name HB2 ))
OR { 253}
(( segid "UIM " and resid 260 and name HG1 ))
(( segid "UIM " and resid 264 and name HB1 ))
OR { 253}
(( segid "UIM " and resid 261 and name HG1 ))
(( segid "UIM " and resid 264 and name HB1 ))
ASSI { 254}
(( segid "UIM " and resid 256 and name HB1 ))
(( segid "UIM " and resid 256 and name HG1 ))
2.200 0.600 0.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.10988E-01 ppm1 2.372 ppm2 2.088 CV 1
OR { 254}
(( segid "UIM " and resid 268 and name HG1 ))
(( segid "UIM " and resid 268 and name HB2 ))
OR { 254}
(( segid "UIM " and resid 273 and name HG2 ))
(( segid "UIM " and resid 273 and name HB1 ))
OR { 254}
(( segid "UIM " and resid 273 and name HG1 ))
(( segid "UIM " and resid 273 and name HB1 ))
ASSI { 255}
(( segid "UIM " and resid 256 and name HB1 ))
(( segid "UIM " and resid 256 and name HB2 ))
2.100 0.500 0.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.11333E-01 ppm1 2.323 ppm2 1.962 CV 1
OR { 255}
(( segid "UIM " and resid 257 and name HG2 ))
(( segid "UIM " and resid 257 and name HB1 ))
OR { 255}
(( segid "UIM " and resid 256 and name HB1 ))
(( segid "UIM " and resid 256 and name HG2 ))
ASSI { 257}
(( segid "UIM " and resid 256 and name HG1 ))
(( segid "UIM " and resid 256 and name HB1 ))
2.000 0.500 0.500 peak 257 spectrum 1 weight 0.10000E+01 volume 0.20684E-01 ppm1 2.033 ppm2 2.373 CV 1
OR { 257}
(( segid "UIM " and resid 268 and name HB2 ))
(( segid "UIM " and resid 268 and name HG1 ))
OR { 257}
(( segid "UIM " and resid 273 and name HB2 ))
(( segid "UIM " and resid 273 and name HG1 ))
OR { 257}
(( segid "UIM " and resid 273 and name HB2 ))
(( segid "UIM " and resid 273 and name HG2 ))
ASSI { 258}
(( segid "UIM " and resid 268 and name HB1 ))
(( segid "UIM " and resid 268 and name HG2 ))
2.200 0.600 0.600 peak 258 spectrum 1 weight 0.10000E+01 volume 0.15944E-01 ppm1 2.149 ppm2 2.378 CV 1
OR { 258}
(( segid "UIM " and resid 273 and name HB1 ))
(( segid "UIM " and resid 273 and name HG2 ))
OR { 258}
(( segid "UIM " and resid 273 and name HB1 ))
(( segid "UIM " and resid 273 and name HG1 ))
OR { 258}
(( segid "UIM " and resid 268 and name HB1 ))
(( segid "UIM " and resid 268 and name HG1 ))
ASSI { 263}
(( segid "UIM " and resid 264 and name HB2 ))
(( segid "UIM " and resid 267 and name HA ))
3.700 1.800 1.800 peak 263 spectrum 1 weight 0.10000E+01 volume 0.12152E-02 ppm1 1.910 ppm2 3.559 CV 1
OR { 263}
(( segid "UIM " and resid 264 and name HB1 ))
(( segid "UIM " and resid 267 and name HA ))
OR { 263}
(( segid "UIM " and resid 265 and name HB1 ))
(( segid "UIM " and resid 267 and name HA ))
ASSI { 266}
(( segid "UIM " and resid 256 and name HG1 ))
(( segid "UIM " and resid 256 and name HA ))
4.600 2.700 1.400 peak 266 spectrum 1 weight 0.10000E+01 volume 0.34818E-03 ppm1 2.054 ppm2 4.473 CV 1
OR { 266}
(( segid "UIM " and resid 256 and name HG1 ))
(( segid "UIM " and resid 255 and name HA ))
ASSI { 274}
(( segid "UIM " and resid 268 and name HG1 ))
(( segid "UIM " and resid 265 and name HA ))
3.400 1.400 1.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.13229E-02 ppm1 2.347 ppm2 4.033 CV 1
OR { 274}
(( segid "UIM " and resid 268 and name HG2 ))
(( segid "UIM " and resid 265 and name HA ))
OR { 274}
(( segid "UIM " and resid 268 and name HG2 ))
(( segid "UIM " and resid 269 and name HA ))
OR { 274}
(( segid "UIM " and resid 268 and name HG1 ))
(( segid "UIM " and resid 269 and name HA ))
ASSI { 285}
(( segid "UIM " and resid 265 and name HE1 ))
(( segid "UIM " and resid 265 and name HG2 ))
3.300 1.400 1.400 peak 285 spectrum 1 weight 0.10000E+01 volume 0.14350E-02 ppm1 2.931 ppm2 1.451 CV 1
OR { 285}
(( segid "UIM " and resid 272 and name HE1 ))
(( segid "UIM " and resid 272 and name HG2 ))
OR { 285}
(( segid "UIM " and resid 272 and name HE2 ))
(( segid "UIM " and resid 272 and name HG2 ))
OR { 285}
(( segid "UIM " and resid 265 and name HE1 ))
(( segid "UIM " and resid 265 and name HG1 ))
OR { 285}
(( segid "UIM " and resid 265 and name HE2 ))
(( segid "UIM " and resid 265 and name HG2 ))
ASSI { 286}
(( segid "UIM " and resid 265 and name HE1 ))
(( segid "UIM " and resid 265 and name HB1 ))
3.400 1.500 1.500 peak 286 spectrum 1 weight 0.10000E+01 volume 0.12022E-02 ppm1 2.944 ppm2 1.906 CV 1
OR { 286}
(( segid "UIM " and resid 265 and name HE2 ))
(( segid "UIM " and resid 265 and name HB1 ))
OR { 286}
(( segid "UIM " and resid 265 and name HE2 ))
(( segid "UIM " and resid 265 and name HB2 ))
OR { 286}
(( segid "UIM " and resid 265 and name HE1 ))
(( segid "UIM " and resid 265 and name HB2 ))
OR { 286}
(( segid "UIM " and resid 272 and name HE2 ))
(( segid "UIM " and resid 272 and name HB1 ))
OR { 286}
(( segid "UIM " and resid 272 and name HE1 ))
(( segid "UIM " and resid 272 and name HB1 ))
ASSI { 289}
(( segid "UIM " and resid 267 and name HA ))
(( segid "UIM " and resid 267 and name HB ))
3.300 1.400 1.400 peak 289 spectrum 1 weight 0.10000E+01 volume 0.13014E-02 ppm1 3.540 ppm2 1.947 CV 1
OR { 289}
(( segid "UIM " and resid 256 and name HD2 ))
(( segid "UIM " and resid 256 and name HB2 ))
ASSI { 290}
(( segid "UIM " and resid 273 and name HA ))
(( segid "UIM " and resid 272 and name HB1 ))
3.000 1.100 1.100 peak 290 spectrum 1 weight 0.10000E+01 volume 0.19736E-02 ppm1 4.251 ppm2 1.938 CV 1
OR { 290}
(( segid "UIM " and resid 270 and name HA ))
(( segid "UIM " and resid 272 and name HB1 ))
OR { 290}
(( segid "UIM " and resid 270 and name HA ))
(( segid "UIM " and resid 272 and name HB2 ))
ASSI { 294}
(( segid "UIM " and resid 264 and name HA ))
( segid "UIM " and resid 263 and name HG2%)
2.600 0.800 0.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.62913E-02 ppm1 3.924 ppm2 0.864 CV 1
OR { 294}
(( segid "UIM " and resid 264 and name HA ))
( segid "UIM " and resid 267 and name HG2%)
ASSI { 297}
(( segid "UIM " and resid 260 and name HA ))
(( segid "UIM " and resid 263 and name HG12))
4.600 2.600 1.400 peak 297 spectrum 1 weight 0.10000E+01 volume 0.47400E-03 ppm1 4.007 ppm2 1.071 CV 1
OR { 297}
(( segid "UIM " and resid 259 and name HA ))
(( segid "UIM " and resid 263 and name HG12))
ASSI { 299}
(( segid "UIM " and resid 260 and name HA ))
(( segid "UIM " and resid 263 and name HB ))
2.100 0.500 0.500 peak 299 spectrum 1 weight 0.10000E+01 volume 0.14910E-01 ppm1 4.009 ppm2 1.962 CV 1
OR { 299}
(( segid "UIM " and resid 268 and name HA ))
(( segid "UIM " and resid 267 and name HB ))
ASSI { 302}
(( segid "UIM " and resid 265 and name HE2 ))
( segid "UIM " and resid 262 and name HD2%)
2.800 1.000 1.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.14435E-02 ppm1 2.926 ppm2 0.869 CV 1
OR { 302}
(( segid "UIM " and resid 265 and name HE1 ))
( segid "UIM " and resid 262 and name HD2%)
OR { 302}
(( segid "UIM " and resid 265 and name HE2 ))
( segid "UIM " and resid 269 and name HD1%)
OR { 302}
(( segid "UIM " and resid 265 and name HE1 ))
( segid "UIM " and resid 269 and name HD1%)
OR { 302}
(( segid "UIM " and resid 265 and name HE1 ))
( segid "UIM " and resid 269 and name HD2%)
ASSI { 6}
(( segid "UIM " and resid 257 and name HN ))
(( segid "UIM " and resid 256 and name HB2 ))
2.800 1.000 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.30466E-02 ppm1 8.752 ppm2 1.976 CV 1
OR { 6}
(( segid "UIM " and resid 257 and name HN ))
(( segid "UIM " and resid 257 and name HB1 ))
ASSI { 11}
(( segid "UIM " and resid 258 and name HN ))
(( segid "UIM " and resid 257 and name HB2 ))
3.100 1.200 1.200 peak 11 spectrum 1 weight 0.10000E+01 volume 0.22741E-02 ppm1 8.274 ppm2 2.062 CV 1
OR { 11}
(( segid "UIM " and resid 258 and name HN ))
(( segid "UIM " and resid 259 and name HB1 ))
OR { 11}
(( segid "UIM " and resid 258 and name HN ))
(( segid "UIM " and resid 259 and name HB2 ))
ASSI { 16}
(( segid "UIM " and resid 276 and name HN ))
(( segid "UIM " and resid 276 and name HB2 ))
2.800 1.000 1.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.29164E-02 ppm1 8.328 ppm2 2.735 CV 1
OR { 16}
(( segid "UIM " and resid 259 and name HN ))
(( segid "UIM " and resid 258 and name HB1 ))
OR { 16}
(( segid "UIM " and resid 259 and name HN ))
(( segid "UIM " and resid 258 and name HB2 ))
ASSI { 22}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 260 and name HA ))
2.900 1.100 1.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.20657E-02 ppm1 8.029 ppm2 4.031 CV 1
OR { 22}
(( segid "UIM " and resid 261 and name HN ))
(( segid "UIM " and resid 260 and name HA ))
OR { 22}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 259 and name HA ))
OR { 22}
(( segid "UIM " and resid 264 and name HN ))
(( segid "UIM " and resid 260 and name HA ))
ASSI { 23}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 260 and name HG2 ))
3.300 1.300 1.300 peak 23 spectrum 1 weight 0.10000E+01 volume 0.13628E-02 ppm1 8.029 ppm2 2.292 CV 1
OR { 23}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 259 and name HG2 ))
OR { 23}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 260 and name HG1 ))
OR { 23}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 259 and name HG1 ))
OR { 23}
(( segid "UIM " and resid 261 and name HN ))
(( segid "UIM " and resid 261 and name HG1 ))
OR { 23}
(( segid "UIM " and resid 261 and name HN ))
(( segid "UIM " and resid 260 and name HG2 ))
OR { 23}
(( segid "UIM " and resid 261 and name HN ))
(( segid "UIM " and resid 261 and name HG2 ))
ASSI { 24}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 260 and name HB2 ))
2.300 0.700 0.700 peak 24 spectrum 1 weight 0.10000E+01 volume 0.81850E-02 ppm1 8.032 ppm2 2.107 CV 1
OR { 24}
(( segid "UIM " and resid 261 and name HN ))
(( segid "UIM " and resid 261 and name HB1 ))
OR { 24}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 259 and name HB1 ))
OR { 24}
(( segid "UIM " and resid 261 and name HN ))
(( segid "UIM " and resid 260 and name HB2 ))
ASSI { 25}
(( segid "UIM " and resid 261 and name HN ))
(( segid "UIM " and resid 261 and name HB2 ))
2.200 0.600 0.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.94611E-02 ppm1 8.030 ppm2 2.055 CV 1
OR { 25}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 260 and name HB1 ))
OR { 25}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 259 and name HB1 ))
OR { 25}
(( segid "UIM " and resid 261 and name HN ))
(( segid "UIM " and resid 260 and name HB1 ))
ASSI { 28}
(( segid "UIM " and resid 272 and name HN ))
(( segid "UIM " and resid 272 and name HA ))
3.100 1.200 1.200 peak 28 spectrum 1 weight 0.10000E+01 volume 0.14756E-02 ppm1 7.814 ppm2 4.126 CV 1
OR { 28}
(( segid "UIM " and resid 262 and name HN ))
(( segid "UIM " and resid 261 and name HA ))
ASSI { 29}
(( segid "UIM " and resid 262 and name HN ))
(( segid "UIM " and resid 262 and name HA ))
2.600 0.800 0.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.42010E-02 ppm1 7.817 ppm2 4.040 CV 1
OR { 29}
(( segid "UIM " and resid 262 and name HN ))
(( segid "UIM " and resid 259 and name HA ))
OR { 29}
(( segid "UIM " and resid 272 and name HN ))
(( segid "UIM " and resid 269 and name HA ))
ASSI { 31}
(( segid "UIM " and resid 262 and name HN ))
(( segid "UIM " and resid 261 and name HB2 ))
3.300 1.300 1.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.18922E-02 ppm1 7.818 ppm2 2.052 CV 1
OR { 31}
(( segid "UIM " and resid 272 and name HN ))
(( segid "UIM " and resid 273 and name HB2 ))
ASSI { 32}
(( segid "UIM " and resid 262 and name HN ))
(( segid "UIM " and resid 262 and name HB2 ))
2.200 0.600 0.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.81328E-02 ppm1 7.814 ppm2 1.896 CV 1
OR { 32}
(( segid "UIM " and resid 272 and name HN ))
(( segid "UIM " and resid 272 and name HB2 ))
OR { 32}
(( segid "UIM " and resid 272 and name HN ))
(( segid "UIM " and resid 272 and name HB1 ))
ASSI { 33}
(( segid "UIM " and resid 271 and name HN ))
(( segid "UIM " and resid 271 and name HB2 ))
2.300 0.700 0.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.57981E-02 ppm1 7.814 ppm2 1.751 CV 1
OR { 33}
(( segid "UIM " and resid 272 and name HN ))
(( segid "UIM " and resid 271 and name HB2 ))
ASSI { 37}
(( segid "UIM " and resid 262 and name HN ))
( segid "UIM " and resid 262 and name HD2%)
3.500 1.500 1.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.10850E-02 ppm1 7.816 ppm2 0.856 CV 1
OR { 37}
(( segid "UIM " and resid 271 and name HN ))
( segid "UIM " and resid 271 and name HD2%)
OR { 37}
(( segid "UIM " and resid 271 and name HN ))
( segid "UIM " and resid 267 and name HG2%)
ASSI { 41}
(( segid "UIM " and resid 263 and name HN ))
(( segid "UIM " and resid 262 and name HB2 ))
2.100 0.500 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.14582E-01 ppm1 7.999 ppm2 1.877 CV 1
OR { 41}
(( segid "UIM " and resid 264 and name HN ))
(( segid "UIM " and resid 264 and name HB1 ))
OR { 41}
(( segid "UIM " and resid 266 and name HN ))
(( segid "UIM " and resid 265 and name HB1 ))
OR { 41}
(( segid "UIM " and resid 266 and name HN ))
(( segid "UIM " and resid 265 and name HB2 ))
OR { 41}
(( segid "UIM " and resid 264 and name HN ))
(( segid "UIM " and resid 264 and name HB2 ))
ASSI { 49}
(( segid "UIM " and resid 264 and name HN ))
( segid "UIM " and resid 263 and name HG2%)
3.300 1.300 1.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.12151E-02 ppm1 7.965 ppm2 0.851 CV 1
OR { 49}
(( segid "UIM " and resid 263 and name HN ))
( segid "UIM " and resid 263 and name HG2%)
ASSI { 52}
(( segid "UIM " and resid 264 and name HN ))
(( segid "UIM " and resid 263 and name HA ))
2.900 1.000 1.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.18922E-02 ppm1 8.001 ppm2 3.700 CV 1
OR { 52}
(( segid "UIM " and resid 266 and name HN ))
(( segid "UIM " and resid 263 and name HA ))
ASSI { 53}
(( segid "UIM " and resid 264 and name HN ))
(( segid "UIM " and resid 263 and name HG12))
4.100 2.200 1.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.51211E-03 ppm1 8.000 ppm2 1.065 CV 1
OR { 53}
(( segid "UIM " and resid 266 and name HN ))
(( segid "UIM " and resid 263 and name HG12))
ASSI { 54}
(( segid "UIM " and resid 264 and name HN ))
( segid "UIM " and resid 263 and name HG2%)
3.100 1.200 1.200 peak 54 spectrum 1 weight 0.10000E+01 volume 0.14148E-02 ppm1 8.001 ppm2 0.855 CV 1
OR { 54}
(( segid "UIM " and resid 266 and name HN ))
( segid "UIM " and resid 269 and name HD1%)
ASSI { 55}
(( segid "UIM " and resid 265 and name HN ))
(( segid "UIM " and resid 264 and name HN ))
2.100 0.500 0.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.14669E-01 ppm1 8.195 ppm2 7.988 CV 1
OR { 55}
(( segid "UIM " and resid 265 and name HN ))
(( segid "UIM " and resid 266 and name HN ))
ASSI { 56}
(( segid "UIM " and resid 265 and name HN ))
(( segid "UIM " and resid 265 and name HA ))
2.300 0.700 0.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.74906E-02 ppm1 8.197 ppm2 4.047 CV 1
OR { 56}
(( segid "UIM " and resid 265 and name HN ))
(( segid "UIM " and resid 262 and name HA ))
ASSI { 59}
(( segid "UIM " and resid 265 and name HN ))
(( segid "UIM " and resid 264 and name HG2 ))
2.600 0.900 0.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.49822E-02 ppm1 8.196 ppm2 1.587 CV 1
OR { 59}
(( segid "UIM " and resid 265 and name HN ))
(( segid "UIM " and resid 265 and name HD2 ))
ASSI { 62}
(( segid "UIM " and resid 266 and name HN ))
(( segid "UIM " and resid 266 and name HA ))
2.300 0.700 0.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.79595E-02 ppm1 7.982 ppm2 4.038 CV 1
OR { 62}
(( segid "UIM " and resid 263 and name HN ))
(( segid "UIM " and resid 260 and name HA ))
OR { 62}
(( segid "UIM " and resid 261 and name HN ))
(( segid "UIM " and resid 260 and name HA ))
OR { 62}
(( segid "UIM " and resid 266 and name HN ))
(( segid "UIM " and resid 265 and name HA ))
OR { 62}
(( segid "UIM " and resid 263 and name HN ))
(( segid "UIM " and resid 262 and name HA ))
OR { 62}
(( segid "UIM " and resid 264 and name HN ))
(( segid "UIM " and resid 260 and name HA ))
ASSI { 72}
(( segid "UIM " and resid 268 and name HN ))
(( segid "UIM " and resid 268 and name HA ))
2.600 0.800 0.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.43138E-02 ppm1 8.094 ppm2 3.979 CV 1
OR { 72}
(( segid "UIM " and resid 270 and name HN ))
(( segid "UIM " and resid 270 and name HB2 ))
ASSI { 73}
(( segid "UIM " and resid 270 and name HN ))
(( segid "UIM " and resid 270 and name HA ))
2.300 0.700 0.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.79334E-02 ppm1 8.087 ppm2 4.258 CV 1
OR { 73}
(( segid "UIM " and resid 273 and name HN ))
(( segid "UIM " and resid 273 and name HA ))
OR { 73}
(( segid "UIM " and resid 274 and name HN ))
(( segid "UIM " and resid 273 and name HA ))
ASSI { 74}
(( segid "UIM " and resid 268 and name HN ))
(( segid "UIM " and resid 268 and name HB2 ))
2.000 0.500 0.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.16492E-01 ppm1 8.091 ppm2 2.073 CV 1
OR { 74}
(( segid "UIM " and resid 273 and name HN ))
(( segid "UIM " and resid 273 and name HB1 ))
ASSI { 77}
(( segid "UIM " and resid 265 and name HN ))
(( segid "UIM " and resid 265 and name HA ))
2.200 0.600 0.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.98949E-02 ppm1 8.163 ppm2 4.076 CV 1
OR { 77}
(( segid "UIM " and resid 269 and name HN ))
(( segid "UIM " and resid 269 and name HA ))
OR { 77}
(( segid "UIM " and resid 265 and name HN ))
(( segid "UIM " and resid 262 and name HA ))
ASSI { 80}
(( segid "UIM " and resid 269 and name HN ))
(( segid "UIM " and resid 269 and name HB2 ))
2.200 0.600 0.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.11197E-01 ppm1 8.162 ppm2 1.617 CV 1
OR { 80}
(( segid "UIM " and resid 269 and name HN ))
(( segid "UIM " and resid 269 and name HB1 ))
OR { 80}
(( segid "UIM " and resid 275 and name HN ))
(( segid "UIM " and resid 275 and name HG1 ))
ASSI { 83}
(( segid "UIM " and resid 270 and name HN ))
(( segid "UIM " and resid 271 and name HN ))
2.800 1.000 1.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.24998E-02 ppm1 8.127 ppm2 7.789 CV 1
OR { 83}
(( segid "UIM " and resid 270 and name HN ))
(( segid "UIM " and resid 272 and name HN ))
OR { 83}
(( segid "UIM " and resid 274 and name HN ))
(( segid "UIM " and resid 272 and name HN ))
ASSI { 84}
(( segid "UIM " and resid 270 and name HN ))
(( segid "UIM " and resid 270 and name HA ))
2.500 0.800 0.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.51471E-02 ppm1 8.129 ppm2 4.227 CV 1
OR { 84}
(( segid "UIM " and resid 274 and name HN ))
(( segid "UIM " and resid 273 and name HA ))
OR { 84}
(( segid "UIM " and resid 274 and name HN ))
(( segid "UIM " and resid 271 and name HA ))
ASSI { 86}
(( segid "UIM " and resid 274 and name HN ))
(( segid "UIM " and resid 274 and name HB2 ))
2.400 0.700 0.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.63102E-02 ppm1 8.127 ppm2 3.848 CV 1
OR { 86}
(( segid "UIM " and resid 270 and name HN ))
(( segid "UIM " and resid 270 and name HB1 ))
OR { 86}
(( segid "UIM " and resid 274 and name HN ))
(( segid "UIM " and resid 274 and name HB1 ))
OR { 86}
(( segid "UIM " and resid 277 and name HN ))
(( segid "UIM " and resid 277 and name HB2 ))
OR { 86}
(( segid "UIM " and resid 277 and name HN ))
(( segid "UIM " and resid 277 and name HB1 ))
ASSI { 87}
(( segid "UIM " and resid 269 and name HN ))
(( segid "UIM " and resid 269 and name HB2 ))
2.400 0.700 0.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.58067E-02 ppm1 8.126 ppm2 1.612 CV 1
OR { 87}
(( segid "UIM " and resid 270 and name HN ))
(( segid "UIM " and resid 269 and name HB2 ))
OR { 87}
(( segid "UIM " and resid 269 and name HN ))
(( segid "UIM " and resid 269 and name HB1 ))
OR { 87}
(( segid "UIM " and resid 275 and name HN ))
(( segid "UIM " and resid 275 and name HG1 ))
OR { 87}
(( segid "UIM " and resid 270 and name HN ))
(( segid "UIM " and resid 269 and name HB1 ))
ASSI { 89}
(( segid "UIM " and resid 269 and name HN ))
( segid "UIM " and resid 269 and name HD2%)
4.000 2.000 2.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.51905E-03 ppm1 8.123 ppm2 0.850 CV 1
OR { 89}
(( segid "UIM " and resid 268 and name HN ))
( segid "UIM " and resid 267 and name HG2%)
OR { 89}
(( segid "UIM " and resid 269 and name HN ))
( segid "UIM " and resid 269 and name HD1%)
OR { 89}
(( segid "UIM " and resid 270 and name HN ))
( segid "UIM " and resid 269 and name HD1%)
ASSI { 90}
(( segid "UIM " and resid 271 and name HN ))
(( segid "UIM " and resid 271 and name HA ))
2.600 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.42357E-02 ppm1 7.783 ppm2 4.204 CV 1
OR { 90}
(( segid "UIM " and resid 272 and name HN ))
(( segid "UIM " and resid 271 and name HA ))
OR { 90}
(( segid "UIM " and resid 271 and name HN ))
(( segid "UIM " and resid 270 and name HA ))
ASSI { 91}
(( segid "UIM " and resid 272 and name HN ))
(( segid "UIM " and resid 272 and name HA ))
2.500 0.800 0.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.43919E-02 ppm1 7.782 ppm2 4.175 CV 1
OR { 91}
(( segid "UIM " and resid 271 and name HN ))
(( segid "UIM " and resid 271 and name HA ))
ASSI { 94}
(( segid "UIM " and resid 262 and name HN ))
(( segid "UIM " and resid 262 and name HB1 ))
3.000 1.100 1.100 peak 94 spectrum 1 weight 0.10000E+01 volume 0.42010E-02 ppm1 7.786 ppm2 1.548 CV 1
OR { 94}
(( segid "UIM " and resid 271 and name HN ))
(( segid "UIM " and resid 271 and name HB1 ))
OR { 94}
(( segid "UIM " and resid 272 and name HN ))
(( segid "UIM " and resid 271 and name HB1 ))
ASSI { 98}
(( segid "UIM " and resid 272 and name HN ))
(( segid "UIM " and resid 273 and name HN ))
2.500 0.800 0.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.53380E-02 ppm1 7.786 ppm2 8.073 CV 1
OR { 98}
(( segid "UIM " and resid 272 and name HN ))
(( segid "UIM " and resid 274 and name HN ))
ASSI { 99}
(( segid "UIM " and resid 273 and name HN ))
(( segid "UIM " and resid 272 and name HA ))
2.800 1.000 1.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.29598E-02 ppm1 8.086 ppm2 4.165 CV 1
OR { 99}
(( segid "UIM " and resid 274 and name HN ))
(( segid "UIM " and resid 272 and name HA ))
ASSI { 100}
(( segid "UIM " and resid 273 and name HN ))
(( segid "UIM " and resid 273 and name HG2 ))
3.000 1.100 1.100 peak 100 spectrum 1 weight 0.10000E+01 volume 0.23782E-02 ppm1 8.080 ppm2 2.377 CV 1
OR { 100}
(( segid "UIM " and resid 268 and name HN ))
(( segid "UIM " and resid 268 and name HG2 ))
OR { 100}
(( segid "UIM " and resid 268 and name HN ))
(( segid "UIM " and resid 268 and name HG1 ))
OR { 100}
(( segid "UIM " and resid 273 and name HN ))
(( segid "UIM " and resid 273 and name HG1 ))
ASSI { 102}
(( segid "UIM " and resid 268 and name HN ))
(( segid "UIM " and resid 265 and name HA ))
2.900 1.000 1.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.24043E-02 ppm1 8.092 ppm2 4.049 CV 1
OR { 102}
(( segid "UIM " and resid 270 and name HN ))
(( segid "UIM " and resid 269 and name HA ))
OR { 102}
(( segid "UIM " and resid 270 and name HN ))
(( segid "UIM " and resid 266 and name HA ))
OR { 102}
(( segid "UIM " and resid 273 and name HN ))
(( segid "UIM " and resid 269 and name HA ))
ASSI { 103}
(( segid "UIM " and resid 274 and name HN ))
(( segid "UIM " and resid 274 and name HB2 ))
2.500 0.800 0.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.53814E-02 ppm1 8.093 ppm2 3.882 CV 1
OR { 103}
(( segid "UIM " and resid 270 and name HN ))
(( segid "UIM " and resid 270 and name HB1 ))
OR { 103}
(( segid "UIM " and resid 274 and name HN ))
(( segid "UIM " and resid 274 and name HB1 ))
ASSI { 104}
(( segid "UIM " and resid 277 and name HN ))
(( segid "UIM " and resid 277 and name HA ))
2.700 0.900 0.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.35066E-02 ppm1 8.152 ppm2 4.456 CV 1
OR { 104}
(( segid "UIM " and resid 275 and name HN ))
(( segid "UIM " and resid 274 and name HA ))
ASSI { 111}
(( segid "UIM " and resid 277 and name HN ))
(( segid "UIM " and resid 277 and name HB2 ))
2.700 0.900 0.900 peak 111 spectrum 1 weight 0.10000E+01 volume 0.40968E-02 ppm1 8.160 ppm2 3.868 CV 1
OR { 111}
(( segid "UIM " and resid 277 and name HN ))
(( segid "UIM " and resid 277 and name HB1 ))
OR { 111}
(( segid "UIM " and resid 275 and name HN ))
(( segid "UIM " and resid 274 and name HB1 ))
ASSI { 117}
(( segid "UIM " and resid 268 and name HN ))
(( segid "UIM " and resid 267 and name HA ))
4.200 2.200 1.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.22741E-03 ppm1 8.089 ppm2 3.581 CV 1
OR { 117}
(( segid "UIM " and resid 270 and name HN ))
(( segid "UIM " and resid 267 and name HA ))
ASSI { 120}
(( segid "UIM " and resid 276 and name HN ))
(( segid "UIM " and resid 275 and name HN ))
2.900 1.100 1.100 peak 120 spectrum 1 weight 0.10000E+01 volume 0.22220E-02 ppm1 8.346 ppm2 8.164 CV 1
OR { 120}
(( segid "UIM " and resid 276 and name HN ))
(( segid "UIM " and resid 277 and name HN ))
ASSI { 122}
(( segid "UIM " and resid 261 and name HN ))
(( segid "UIM " and resid 258 and name HA ))
4.400 2.400 1.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.18228E-03 ppm1 8.032 ppm2 4.541 CV 1
OR { 122}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 258 and name HA ))
ASSI { 123}
(( segid "UIM " and resid 261 and name HN ))
(( segid "UIM " and resid 258 and name HB1 ))
3.700 1.800 1.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.26387E-03 ppm1 8.032 ppm2 2.740 CV 1
OR { 123}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 258 and name HB1 ))
OR { 123}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 258 and name HB2 ))
OR { 123}
(( segid "UIM " and resid 261 and name HN ))
(( segid "UIM " and resid 258 and name HB2 ))
ASSI { 124}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 260 and name HG2 ))
3.300 1.400 1.400 peak 124 spectrum 1 weight 0.10000E+01 volume 0.10415E-02 ppm1 8.069 ppm2 2.289 CV 1
OR { 124}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 259 and name HG2 ))
OR { 124}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 260 and name HG1 ))
OR { 124}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 259 and name HG1 ))
ASSI { 125}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 260 and name HA ))
3.400 1.500 1.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.76123E-03 ppm1 8.063 ppm2 4.035 CV 1
OR { 125}
(( segid "UIM " and resid 260 and name HN ))
(( segid "UIM " and resid 259 and name HA ))
ASSI { 130}
(( segid "UIM " and resid 262 and name HN ))
(( segid "UIM " and resid 262 and name HA ))
3.400 1.500 1.500 peak 130 spectrum 1 weight 0.10000E+01 volume 0.73865E-03 ppm1 7.784 ppm2 4.073 CV 1
OR { 130}
(( segid "UIM " and resid 272 and name HN ))
(( segid "UIM " and resid 269 and name HA ))
ASSI { 131}
(( segid "UIM " and resid 271 and name HN ))
(( segid "UIM " and resid 270 and name HB2 ))
3.600 1.600 1.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.62667E-03 ppm1 7.783 ppm2 3.979 CV 1
OR { 131}
(( segid "UIM " and resid 271 and name HN ))
(( segid "UIM " and resid 268 and name HA ))
ASSI { 134}
(( segid "UIM " and resid 272 and name HN ))
(( segid "UIM " and resid 272 and name HG2 ))
4.000 2.000 2.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.41663E-03 ppm1 7.781 ppm2 1.445 CV 1
OR { 134}
(( segid "UIM " and resid 271 and name HN ))
(( segid "UIM " and resid 272 and name HG2 ))
ASSI { 139}
(( segid "UIM " and resid 268 and name HN ))
( segid "UIM " and resid 267 and name HG2%)
3.400 1.400 1.400 peak 139 spectrum 1 weight 0.10000E+01 volume 0.12586E-02 ppm1 8.091 ppm2 0.848 CV 1
OR { 139}
(( segid "UIM " and resid 270 and name HN ))
( segid "UIM " and resid 269 and name HD1%)
OR { 139}
(( segid "UIM " and resid 270 and name HN ))
( segid "UIM " and resid 267 and name HG2%)
OR { 139}
(( segid "UIM " and resid 274 and name HN ))
( segid "UIM " and resid 271 and name HD2%)
OR { 139}
(( segid "UIM " and resid 270 and name HN ))
( segid "UIM " and resid 271 and name HD2%)
ASSI { 140}
(( segid "UIM " and resid 266 and name HN ))
(( segid "UIM " and resid 266 and name HA ))
2.600 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.44440E-02 ppm1 7.958 ppm2 4.036 CV 1
OR { 140}
(( segid "UIM " and resid 263 and name HN ))
(( segid "UIM " and resid 260 and name HA ))
OR { 140}
(( segid "UIM " and resid 266 and name HN ))
(( segid "UIM " and resid 265 and name HA ))
OR { 140}
(( segid "UIM " and resid 263 and name HN ))
(( segid "UIM " and resid 262 and name HA ))
ASSI { 141}
(( segid "UIM " and resid 264 and name HN ))
(( segid "UIM " and resid 263 and name HB ))
2.100 0.500 0.500 peak 141 spectrum 1 weight 0.10000E+01 volume 0.13714E-01 ppm1 8.000 ppm2 1.940 CV 1
OR { 141}
(( segid "UIM " and resid 264 and name HN ))
(( segid "UIM " and resid 264 and name HB1 ))
OR { 141}
(( segid "UIM " and resid 264 and name HN ))
(( segid "UIM " and resid 264 and name HB2 ))
ASSI { 142}
(( segid "UIM " and resid 263 and name HN ))
(( segid "UIM " and resid 263 and name HG11))
3.100 1.200 1.200 peak 142 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 7.999 ppm2 1.653 CV 1
OR { 142}
(( segid "UIM " and resid 264 and name HN ))
(( segid "UIM " and resid 263 and name HG11))
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