NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
590483 |
2n1d   |
25556 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 9}
(( segid "MRG " and resid 168 and name HB2 ))
(( segid "MRG " and resid 168 and name HA ))
2.600 0.800 0.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.89517E-02 ppm1 3.998 ppm2 1.600 CV 1
OR { 9}
(( segid "MRG " and resid 300 and name HD1 ))
(( segid "MRG " and resid 300 and name HA ))
OR { 9}
(( segid "MRG " and resid 300 and name HD2 ))
(( segid "MRG " and resid 300 and name HA ))
OR { 9}
(( segid "MRG " and resid 187 and name HD1 ))
(( segid "MRG " and resid 187 and name HA ))
ASSI { 11}
(( segid "MRG " and resid 187 and name HB2 ))
(( segid "MRG " and resid 187 and name HA ))
2.100 0.600 0.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.14812E-01 ppm1 3.998 ppm2 1.674 CV 1
OR { 11}
(( segid "MRG " and resid 300 and name HB2 ))
(( segid "MRG " and resid 300 and name HA ))
ASSI { 12}
(( segid "MRG " and resid 184 and name HB2 ))
(( segid "MRG " and resid 184 and name HA ))
3.800 1.800 1.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.27618E-03 ppm1 4.421 ppm2 0.626 CV 1
OR { 12}
( segid "MRG " and resid 245 and name HD1%)
(( segid "MRG " and resid 184 and name HA ))
ASSI { 16}
(( segid "MRG " and resid 289 and name HB1 ))
( segid "MRG " and resid 286 and name HD1%)
3.200 1.300 1.300 peak 16 spectrum 1 weight 0.10000E+01 volume 0.18425E-02 ppm1 0.929 ppm2 2.982 CV 1
OR { 16}
(( segid "MRG " and resid 282 and name HE2 ))
( segid "MRG " and resid 286 and name HD2%)
OR { 16}
(( segid "MRG " and resid 282 and name HE1 ))
( segid "MRG " and resid 286 and name HD2%)
OR { 16}
(( segid "MRG " and resid 280 and name HB1 ))
( segid "MRG " and resid 286 and name HD2%)
ASSI { 44}
(( segid "MRG " and resid 156 and name HB ))
(( segid "MRG " and resid 156 and name HA ))
2.700 0.900 0.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.35927E-02 ppm1 3.914 ppm2 2.008 CV 1
OR { 44}
(( segid "MRG " and resid 296 and name HB1 ))
(( segid "MRG " and resid 297 and name HA ))
ASSI { 47}
(( segid "MRG " and resid 157 and name HG2 ))
(( segid "MRG " and resid 156 and name HA ))
3.800 1.800 1.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.42952E-03 ppm1 3.913 ppm2 1.302 CV 1
OR { 47}
( segid "MRG " and resid 154 and name HB% )
(( segid "MRG " and resid 156 and name HA ))
OR { 47}
(( segid "MRG " and resid 164 and name HG ))
(( segid "MRG " and resid 165 and name HA ))
OR { 47}
(( segid "MRG " and resid 164 and name HG ))
(( segid "MRG " and resid 302 and name HA ))
OR { 47}
(( segid "MRG " and resid 160 and name HG12))
(( segid "MRG " and resid 165 and name HA ))
ASSI { 53}
(( segid "MRG " and resid 156 and name HA ))
( segid "MRG " and resid 156 and name HG1%)
2.200 0.600 0.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.13568E-01 ppm1 0.814 ppm2 3.936 CV 1
OR { 53}
(( segid "MRG " and resid 257 and name HA ))
( segid "MRG " and resid 257 and name HG1%)
ASSI { 54}
(( segid "MRG " and resid 214 and name HB ))
( segid "MRG " and resid 214 and name HG2%)
1.900 0.500 0.500 peak 54 spectrum 1 weight 0.10000E+01 volume 0.22840E-01 ppm1 0.844 ppm2 2.009 CV 1
OR { 54}
(( segid "MRG " and resid 156 and name HB ))
( segid "MRG " and resid 156 and name HG1%)
ASSI { 55}
(( segid "MRG " and resid 271 and name HA1 ))
( segid "MRG " and resid 156 and name HG1%)
3.000 1.100 1.100 peak 55 spectrum 1 weight 0.10000E+01 volume 0.37452E-02 ppm1 0.827 ppm2 4.031 CV 1
OR { 55}
(( segid "MRG " and resid 155 and name HA ))
( segid "MRG " and resid 156 and name HG1%)
ASSI { 57}
(( segid "MRG " and resid 156 and name HB ))
( segid "MRG " and resid 156 and name HG2%)
2.200 0.600 0.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.10517E-01 ppm1 0.813 ppm2 1.990 CV 1
OR { 57}
(( segid "MRG " and resid 291 and name HB1 ))
( segid "MRG " and resid 291 and name HD1%)
ASSI { 71}
(( segid "MRG " and resid 157 and name HE2 ))
(( segid "MRG " and resid 157 and name HG1 ))
2.500 0.800 0.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.67838E-02 ppm1 1.294 ppm2 2.875 CV 1
OR { 71}
(( segid "MRG " and resid 157 and name HE2 ))
(( segid "MRG " and resid 157 and name HG2 ))
OR { 71}
(( segid "MRG " and resid 157 and name HE1 ))
(( segid "MRG " and resid 157 and name HG1 ))
OR { 71}
(( segid "MRG " and resid 157 and name HE1 ))
(( segid "MRG " and resid 157 and name HG2 ))
OR { 71}
(( segid "MRG " and resid 159 and name HE1 ))
(( segid "MRG " and resid 159 and name HG1 ))
ASSI { 79}
( segid "MRG " and resid 158 and name HG1%)
(( segid "MRG " and resid 158 and name HB ))
2.100 0.600 0.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.12404E-01 ppm1 2.054 ppm2 0.866 CV 1
OR { 79}
( segid "MRG " and resid 227 and name HG2%)
(( segid "MRG " and resid 227 and name HB ))
ASSI { 82}
(( segid "MRG " and resid 291 and name HG ))
( segid "MRG " and resid 291 and name HD1%)
2.100 0.600 0.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.11962E-01 ppm1 0.831 ppm2 2.070 CV 1
OR { 82}
(( segid "MRG " and resid 158 and name HB ))
( segid "MRG " and resid 158 and name HG1%)
ASSI { 83}
( segid "MRG " and resid 267 and name HD% )
( segid "MRG " and resid 291 and name HD1%)
2.800 1.000 1.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.22680E-02 ppm1 0.831 ppm2 -0.483 CV 1
OR { 83}
( segid "MRG " and resid 267 and name HD% )
( segid "MRG " and resid 263 and name HD2%)
ASSI { 84}
(( segid "MRG " and resid 267 and name HB1 ))
( segid "MRG " and resid 158 and name HG1%)
3.500 1.500 1.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.13086E-02 ppm1 0.847 ppm2 3.127 CV 1
OR { 84}
(( segid "MRG " and resid 225 and name HB1 ))
( segid "MRG " and resid 263 and name HD2%)
OR { 84}
(( segid "MRG " and resid 267 and name HB2 ))
( segid "MRG " and resid 158 and name HG1%)
OR { 84}
(( segid "MRG " and resid 267 and name HB2 ))
( segid "MRG " and resid 263 and name HD2%)
ASSI { 89}
(( segid "MRG " and resid 159 and name HG1 ))
(( segid "MRG " and resid 159 and name HA ))
2.900 1.000 1.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.34763E-02 ppm1 4.272 ppm2 1.293 CV 1
OR { 89}
(( segid "MRG " and resid 160 and name HG12))
(( segid "MRG " and resid 159 and name HA ))
ASSI { 126}
( segid "MRG " and resid 268 and name HG2%)
( segid "MRG " and resid 160 and name HD1%)
2.700 0.900 0.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.35566E-02 ppm1 0.702 ppm2 1.040 CV 1
OR { 126}
( segid "MRG " and resid 168 and name HD1%)
( segid "MRG " and resid 160 and name HD1%)
OR { 126}
(( segid "MRG " and resid 295 and name HG ))
( segid "MRG " and resid 160 and name HD1%)
ASSI { 148}
(( segid "MRG " and resid 165 and name HB1 ))
( segid "MRG " and resid 160 and name HG2%)
4.900 2.900 1.100 peak 148 spectrum 1 weight 0.10000E+01 volume 0.24567E-03 ppm1 0.835 ppm2 1.976 CV 1
OR { 148}
(( segid "MRG " and resid 162 and name HB2 ))
( segid "MRG " and resid 160 and name HG2%)
OR { 148}
(( segid "MBD " and resid 108 and name HG2 ))
( segid "MRG " and resid 160 and name HG2%)
ASSI { 149}
(( segid "MRG " and resid 164 and name HB1 ))
( segid "MRG " and resid 160 and name HG2%)
3.000 1.100 1.100 peak 149 spectrum 1 weight 0.10000E+01 volume 0.28541E-02 ppm1 0.837 ppm2 1.616 CV 1
OR { 149}
(( segid "MRG " and resid 161 and name HB2 ))
( segid "MRG " and resid 160 and name HG2%)
ASSI { 159}
(( segid "MRG " and resid 162 and name HB2 ))
(( segid "MRG " and resid 162 and name HA ))
2.700 0.900 0.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.43754E-02 ppm1 3.751 ppm2 1.952 CV 1
OR { 159}
(( segid "MRG " and resid 165 and name HB1 ))
(( segid "MRG " and resid 162 and name HA ))
ASSI { 170}
(( segid "MRG " and resid 216 and name HB1 ))
(( segid "MRG " and resid 216 and name HA ))
2.100 0.500 0.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.16097E-01 ppm1 4.056 ppm2 2.031 CV 1
OR { 170}
(( segid "MRG " and resid 163 and name HB1 ))
(( segid "MRG " and resid 163 and name HA ))
OR { 170}
(( segid "MRG " and resid 317 and name HB2 ))
(( segid "MRG " and resid 317 and name HA ))
OR { 170}
(( segid "MRG " and resid 317 and name HB1 ))
(( segid "MRG " and resid 317 and name HA ))
ASSI { 171}
(( segid "MRG " and resid 317 and name HG1 ))
(( segid "MRG " and resid 317 and name HA ))
2.500 0.800 0.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.72256E-02 ppm1 4.055 ppm2 2.339 CV 1
OR { 171}
(( segid "MRG " and resid 163 and name HG2 ))
(( segid "MRG " and resid 163 and name HA ))
OR { 171}
(( segid "MRG " and resid 163 and name HG1 ))
(( segid "MRG " and resid 163 and name HA ))
ASSI { 172}
(( segid "MRG " and resid 216 and name HA ))
(( segid "MRG " and resid 216 and name HB1 ))
2.400 0.700 0.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.60614E-02 ppm1 2.031 ppm2 4.063 CV 1
OR { 172}
(( segid "MRG " and resid 163 and name HA ))
(( segid "MRG " and resid 163 and name HB1 ))
OR { 172}
(( segid "MRG " and resid 216 and name HA ))
(( segid "MRG " and resid 216 and name HB2 ))
ASSI { 173}
(( segid "MRG " and resid 162 and name HG2 ))
(( segid "MRG " and resid 162 and name HB1 ))
2.100 0.500 0.500 peak 173 spectrum 1 weight 0.10000E+01 volume 0.18144E-01 ppm1 2.033 ppm2 2.345 CV 1
OR { 173}
(( segid "MRG " and resid 163 and name HG2 ))
(( segid "MRG " and resid 163 and name HB1 ))
OR { 173}
(( segid "MRG " and resid 163 and name HG1 ))
(( segid "MRG " and resid 163 and name HB1 ))
OR { 173}
(( segid "MRG " and resid 281 and name HG1 ))
(( segid "MRG " and resid 281 and name HB1 ))
OR { 173}
(( segid "MRG " and resid 162 and name HG1 ))
(( segid "MRG " and resid 162 and name HB1 ))
ASSI { 175}
(( segid "MRG " and resid 317 and name HB1 ))
(( segid "MRG " and resid 317 and name HG1 ))
1.700 0.400 0.500 peak 175 spectrum 1 weight 0.10000E+01 volume 0.50579E-01 ppm1 2.338 ppm2 2.036 CV 1
OR { 175}
(( segid "MRG " and resid 163 and name HB1 ))
(( segid "MRG " and resid 163 and name HG2 ))
OR { 175}
(( segid "MRG " and resid 163 and name HB1 ))
(( segid "MRG " and resid 163 and name HG1 ))
OR { 175}
(( segid "MRG " and resid 281 and name HB1 ))
(( segid "MRG " and resid 281 and name HG1 ))
OR { 175}
(( segid "MRG " and resid 317 and name HB2 ))
(( segid "MRG " and resid 317 and name HG1 ))
ASSI { 182}
(( segid "MRG " and resid 164 and name HB2 ))
( segid "MRG " and resid 164 and name HD1%)
2.300 0.700 0.700 peak 182 spectrum 1 weight 0.10000E+01 volume 0.71453E-02 ppm1 0.793 ppm2 1.382 CV 1
OR { 182}
( segid "MRG " and resid 299 and name HB% )
( segid "MRG " and resid 164 and name HD1%)
ASSI { 183}
(( segid "MRG " and resid 164 and name HA ))
( segid "MRG " and resid 164 and name HD2%)
2.500 0.800 0.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.73457E-02 ppm1 0.589 ppm2 4.485 CV 1
OR { 183}
(( segid "MRG " and resid 234 and name HA ))
( segid "MRG " and resid 234 and name HD1%)
ASSI { 184}
(( segid "MRG " and resid 164 and name HB2 ))
( segid "MRG " and resid 164 and name HD2%)
2.600 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.71049E-02 ppm1 0.577 ppm2 1.372 CV 1
OR { 184}
( segid "MRG " and resid 299 and name HB% )
( segid "MRG " and resid 164 and name HD2%)
ASSI { 187}
(( segid "MRG " and resid 299 and name HA ))
( segid "MRG " and resid 164 and name HD2%)
2.800 1.000 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.30508E-02 ppm1 0.573 ppm2 3.755 CV 1
OR { 187}
(( segid "MRG " and resid 299 and name HA ))
( segid "MRG " and resid 298 and name HD2%)
ASSI { 188}
(( segid "MRG " and resid 302 and name HA ))
( segid "MRG " and resid 298 and name HD2%)
3.200 1.300 1.300 peak 188 spectrum 1 weight 0.10000E+01 volume 0.24005E-02 ppm1 0.572 ppm2 3.921 CV 1
OR { 188}
(( segid "MRG " and resid 294 and name HA ))
( segid "MRG " and resid 298 and name HD2%)
OR { 188}
(( segid "MRG " and resid 302 and name HA ))
( segid "MRG " and resid 164 and name HD2%)
OR { 188}
(( segid "MRG " and resid 165 and name HA ))
( segid "MRG " and resid 164 and name HD2%)
OR { 188}
(( segid "MRG " and resid 297 and name HA ))
( segid "MRG " and resid 298 and name HD2%)
ASSI { 190}
( segid "MRG " and resid 306 and name HE% )
( segid "MRG " and resid 298 and name HD2%)
2.800 1.000 1.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.38938E-02 ppm1 0.575 ppm2 -1.186 CV 1
OR { 190}
( segid "MRG " and resid 242 and name HE% )
( segid "MRG " and resid 234 and name HD1%)
OR { 190}
( segid "MRG " and resid 306 and name HE% )
( segid "MRG " and resid 164 and name HD2%)
OR { 190}
(( segid "MRG " and resid 167 and name HD1 ))
( segid "MRG " and resid 164 and name HD2%)
ASSI { 192}
(( segid "MRG " and resid 162 and name HA ))
(( segid "MRG " and resid 165 and name HB1 ))
5.000 3.100 1.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.28942E-03 ppm1 1.967 ppm2 3.755 CV 1
OR { 192}
(( segid "MBD " and resid 115 and name HA ))
(( segid "MRG " and resid 165 and name HB1 ))
ASSI { 193}
(( segid "MRG " and resid 162 and name HA ))
(( segid "MRG " and resid 165 and name HB2 ))
4.100 2.100 1.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.26092E-03 ppm1 1.617 ppm2 3.756 CV 1
OR { 193}
(( segid "MBD " and resid 115 and name HA ))
(( segid "MRG " and resid 165 and name HB2 ))
ASSI { 194}
( segid "MRG " and resid 160 and name HG2%)
(( segid "MRG " and resid 165 and name HE1 ))
3.000 1.100 1.100 peak 194 spectrum 1 weight 0.10000E+01 volume 0.29745E-02 ppm1 2.889 ppm2 0.853 CV 1
OR { 194}
( segid "MBD " and resid 115 and name HG2%)
(( segid "MRG " and resid 165 and name HE1 ))
OR { 194}
( segid "MBD " and resid 111 and name HD1%)
(( segid "MRG " and resid 165 and name HE1 ))
ASSI { 196}
( segid "MRG " and resid 160 and name HG2%)
(( segid "MRG " and resid 165 and name HE2 ))
3.000 1.100 1.100 peak 196 spectrum 1 weight 0.10000E+01 volume 0.30307E-02 ppm1 2.723 ppm2 0.860 CV 1
OR { 196}
( segid "MBD " and resid 111 and name HD1%)
(( segid "MRG " and resid 165 and name HE2 ))
OR { 196}
( segid "MBD " and resid 115 and name HG2%)
(( segid "MRG " and resid 165 and name HE2 ))
ASSI { 197}
( segid "MBD " and resid 111 and name HG2%)
(( segid "MRG " and resid 165 and name HE2 ))
3.600 1.600 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.69848E-03 ppm1 2.723 ppm2 0.725 CV 1
OR { 197}
( segid "MBD " and resid 90 and name HD2%)
(( segid "MRG " and resid 280 and name HB2 ))
ASSI { 198}
( segid "MRG " and resid 160 and name HG2%)
(( segid "MRG " and resid 165 and name HG1 ))
2.700 0.900 0.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.49375E-02 ppm1 1.662 ppm2 0.860 CV 1
OR { 198}
( segid "MRG " and resid 160 and name HG2%)
(( segid "MRG " and resid 165 and name HG2 ))
OR { 198}
( segid "MBD " and resid 115 and name HG2%)
(( segid "MRG " and resid 165 and name HG1 ))
OR { 198}
( segid "MBD " and resid 115 and name HG2%)
(( segid "MRG " and resid 165 and name HG2 ))
ASSI { 200}
(( segid "MRG " and resid 162 and name HA ))
(( segid "MRG " and resid 165 and name HG2 ))
3.200 1.300 1.300 peak 200 spectrum 1 weight 0.10000E+01 volume 0.10718E-02 ppm1 1.662 ppm2 3.763 CV 1
OR { 200}
(( segid "MRG " and resid 162 and name HA ))
(( segid "MRG " and resid 165 and name HG1 ))
OR { 200}
(( segid "MRG " and resid 166 and name HD1 ))
(( segid "MRG " and resid 165 and name HG1 ))
ASSI { 204}
(( segid "MRG " and resid 166 and name HG1 ))
(( segid "MRG " and resid 166 and name HA ))
4.100 2.100 1.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.39460E-03 ppm1 4.026 ppm2 1.972 CV 1
OR { 204}
(( segid "MBD " and resid 115 and name HB ))
(( segid "MRG " and resid 166 and name HA ))
ASSI { 210}
( segid "MBD " and resid 115 and name HG2%)
(( segid "MRG " and resid 165 and name HB2 ))
3.600 1.600 1.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.92728E-03 ppm1 1.592 ppm2 0.850 CV 1
OR { 210}
( segid "MBD " and resid 115 and name HG1%)
(( segid "MRG " and resid 165 and name HB2 ))
OR { 210}
( segid "MBD " and resid 115 and name HG1%)
(( segid "MRG " and resid 166 and name HB2 ))
ASSI { 215}
(( segid "MRG " and resid 166 and name HG1 ))
(( segid "MRG " and resid 166 and name HD1 ))
2.900 1.000 1.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.15495E-02 ppm1 3.784 ppm2 1.968 CV 1
OR { 215}
(( segid "MRG " and resid 165 and name HB1 ))
(( segid "MRG " and resid 166 and name HD1 ))
ASSI { 218}
(( segid "MRG " and resid 166 and name HG1 ))
(( segid "MRG " and resid 166 and name HD2 ))
3.800 1.800 1.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.91926E-03 ppm1 3.456 ppm2 1.968 CV 1
OR { 218}
(( segid "MRG " and resid 165 and name HB1 ))
(( segid "MRG " and resid 166 and name HD2 ))
ASSI { 248}
( segid "MRG " and resid 168 and name HD2%)
( segid "MRG " and resid 168 and name HD1%)
2.100 0.600 0.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.13126E-01 ppm1 1.019 ppm2 0.870 CV 1
OR { 248}
( segid "MRG " and resid 160 and name HG2%)
( segid "MRG " and resid 168 and name HD1%)
ASSI { 265}
( segid "MRG " and resid 169 and name HG2%)
( segid "MRG " and resid 169 and name HG1%)
2.200 0.600 0.600 peak 265 spectrum 1 weight 0.10000E+01 volume 0.11561E-01 ppm1 1.058 ppm2 0.847 CV 1
OR { 265}
( segid "MRG " and resid 168 and name HD2%)
( segid "MRG " and resid 268 and name HG2%)
ASSI { 284}
(( segid "MRG " and resid 176 and name HG1 ))
(( segid "MRG " and resid 173 and name HA ))
3.000 1.200 1.200 peak 284 spectrum 1 weight 0.10000E+01 volume 0.15093E-02 ppm1 3.332 ppm2 2.762 CV 1
OR { 284}
(( segid "MRG " and resid 173 and name HB1 ))
(( segid "MRG " and resid 173 and name HA ))
ASSI { 287}
(( segid "MRG " and resid 177 and name HG2 ))
(( segid "MRG " and resid 173 and name HA ))
4.500 2.500 1.500 peak 287 spectrum 1 weight 0.10000E+01 volume 0.28942E-03 ppm1 3.333 ppm2 1.042 CV 1
OR { 287}
( segid "MRG " and resid 169 and name HG1%)
(( segid "MRG " and resid 173 and name HA ))
ASSI { 303}
(( segid "MRG " and resid 178 and name HB2 ))
( segid "MRG " and resid 174 and name HD1%)
4.100 2.100 1.900 peak 303 spectrum 1 weight 0.10000E+01 volume 0.61821E-03 ppm1 0.448 ppm2 2.277 CV 1
OR { 303}
(( segid "MRG " and resid 180 and name HB1 ))
( segid "MRG " and resid 174 and name HD1%)
OR { 303}
(( segid "MRG " and resid 170 and name HB1 ))
( segid "MRG " and resid 174 and name HD1%)
ASSI { 304}
(( segid "MRG " and resid 178 and name HG1 ))
( segid "MRG " and resid 174 and name HD1%)
4.400 2.500 1.600 peak 304 spectrum 1 weight 0.10000E+01 volume 0.54995E-03 ppm1 0.446 ppm2 2.121 CV 1
OR { 304}
(( segid "MRG " and resid 170 and name HB2 ))
( segid "MRG " and resid 174 and name HD1%)
OR { 304}
(( segid "MRG " and resid 175 and name HG11))
( segid "MRG " and resid 174 and name HD1%)
ASSI { 308}
(( segid "MRG " and resid 311 and name HB2 ))
( segid "MRG " and resid 174 and name HD1%)
5.200 3.400 0.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.10277E-03 ppm1 0.445 ppm2 2.746 CV 1
OR { 308}
(( segid "MRG " and resid 171 and name HB2 ))
( segid "MRG " and resid 174 and name HD1%)
ASSI { 333}
( segid "MRG " and resid 181 and name HD2%)
( segid "MRG " and resid 175 and name HD1%)
5.000 3.100 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.13929E-03 ppm1 1.290 ppm2 -0.082 CV 1
OR { 333}
( segid "MRG " and resid 174 and name HD2%)
( segid "MRG " and resid 175 and name HD1%)
ASSI { 341}
( segid "MRG " and resid 235 and name HD% )
( segid "MRG " and resid 175 and name HD1%)
3.400 1.500 1.500 peak 341 spectrum 1 weight 0.10000E+01 volume 0.14692E-02 ppm1 1.290 ppm2 -0.580 CV 1
OR { 341}
(( segid "MRG " and resid 172 and name HD1 ))
( segid "MRG " and resid 175 and name HD1%)
ASSI { 351}
( segid "MRG " and resid 176 and name HG2%)
( segid "MRG " and resid 175 and name HG2%)
2.900 1.000 1.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.32916E-02 ppm1 1.075 ppm2 0.818 CV 1
OR { 351}
( segid "MRG " and resid 181 and name HD1%)
( segid "MRG " and resid 175 and name HG2%)
ASSI { 363}
( segid "MRG " and resid 235 and name HE% )
( segid "MRG " and resid 176 and name HG2%)
3.100 1.200 1.200 peak 363 spectrum 1 weight 0.10000E+01 volume 0.93930E-03 ppm1 0.811 ppm2 -1.148 CV 1
OR { 363}
(( segid "MRG " and resid 172 and name HZ3 ))
( segid "MRG " and resid 176 and name HG2%)
ASSI { 375}
(( segid "MRG " and resid 179 and name HD1 ))
(( segid "MRG " and resid 179 and name HE1 ))
2.300 0.700 0.700 peak 375 spectrum 1 weight 0.10000E+01 volume 0.77875E-02 ppm1 2.688 ppm2 1.136 CV 1
OR { 375}
(( segid "MRG " and resid 179 and name HD1 ))
(( segid "MRG " and resid 179 and name HE2 ))
OR { 375}
(( segid "MRG " and resid 177 and name HG1 ))
(( segid "MRG " and resid 177 and name HD2 ))
ASSI { 399}
(( segid "MRG " and resid 201 and name HB2 ))
(( segid "MRG " and resid 201 and name HA ))
2.500 0.800 0.800 peak 399 spectrum 1 weight 0.10000E+01 volume 0.46565E-02 ppm1 3.584 ppm2 1.576 CV 1
OR { 399}
(( segid "MRG " and resid 179 and name HB2 ))
(( segid "MRG " and resid 179 and name HA ))
OR { 399}
(( segid "MRG " and resid 201 and name HB1 ))
(( segid "MRG " and resid 201 and name HA ))
ASSI { 400}
(( segid "MRG " and resid 179 and name HD1 ))
(( segid "MRG " and resid 179 and name HA ))
3.400 1.500 1.500 peak 400 spectrum 1 weight 0.10000E+01 volume 0.16297E-02 ppm1 3.578 ppm2 1.118 CV 1
OR { 400}
(( segid "MRG " and resid 201 and name HG1 ))
(( segid "MRG " and resid 201 and name HA ))
ASSI { 449}
( segid "MRG " and resid 175 and name HD1%)
(( segid "MRG " and resid 181 and name HA ))
2.800 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.24286E-02 ppm1 4.959 ppm2 1.290 CV 1
OR { 449}
(( segid "MRG " and resid 181 and name HG ))
(( segid "MRG " and resid 181 and name HA ))
ASSI { 502}
(( segid "MRG " and resid 185 and name HA ))
( segid "MRG " and resid 184 and name HD1%)
2.400 2.400 3.600 peak 502 spectrum 1 weight 0.10000E+01 volume 0.26012E-02 ppm1 0.519 ppm2 4.112 CV 1
OR { 502}
(( segid "MRG " and resid 258 and name HA ))
( segid "MRG " and resid 184 and name HD1%)
ASSI { 512}
(( segid "MRG " and resid 245 and name HG12))
( segid "MRG " and resid 184 and name HD2%)
3.000 3.000 3.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.72655E-03 ppm1 0.314 ppm2 1.412 CV 1
OR { 512}
(( segid "MRG " and resid 187 and name HG2 ))
( segid "MRG " and resid 184 and name HD2%)
ASSI { 516}
(( segid "MRG " and resid 186 and name HA ))
(( segid "MRG " and resid 185 and name HA ))
4.300 2.300 1.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.43353E-03 ppm1 4.097 ppm2 4.436 CV 1
OR { 516}
(( segid "MRG " and resid 184 and name HA ))
(( segid "MRG " and resid 185 and name HA ))
ASSI { 525}
( segid "MRG " and resid 257 and name HG2%)
(( segid "MRG " and resid 185 and name HB1 ))
3.200 1.300 1.300 peak 525 spectrum 1 weight 0.10000E+01 volume 0.21516E-02 ppm1 2.159 ppm2 0.616 CV 1
OR { 525}
(( segid "MRG " and resid 184 and name HB2 ))
(( segid "MRG " and resid 185 and name HB1 ))
ASSI { 545}
(( segid "MRG " and resid 184 and name HB2 ))
(( segid "MRG " and resid 185 and name HD1 ))
3.600 1.600 1.600 peak 545 spectrum 1 weight 0.10000E+01 volume 0.39499E-03 ppm1 3.374 ppm2 0.630 CV 1
OR { 545}
(( segid "MRG " and resid 184 and name HB2 ))
(( segid "MRG " and resid 185 and name HD2 ))
OR { 545}
( segid "MRG " and resid 245 and name HD1%)
(( segid "MRG " and resid 185 and name HD1 ))
ASSI { 555}
(( segid "MRG " and resid 189 and name HB1 ))
( segid "MRG " and resid 186 and name HB% )
4.600 2.700 1.400 peak 555 spectrum 1 weight 0.10000E+01 volume 0.28661E-03 ppm1 1.165 ppm2 3.386 CV 1
OR { 555}
(( segid "MRG " and resid 276 and name HB1 ))
( segid "MRG " and resid 275 and name HB% )
ASSI { 556}
(( segid "MRG " and resid 189 and name HB2 ))
( segid "MRG " and resid 186 and name HB% )
4.600 2.600 1.400 peak 556 spectrum 1 weight 0.10000E+01 volume 0.34281E-03 ppm1 1.165 ppm2 2.572 CV 1
OR { 556}
(( segid "MRG " and resid 273 and name HG1 ))
( segid "MRG " and resid 275 and name HB% )
ASSI { 559}
(( segid "MRG " and resid 259 and name HA2 ))
( segid "MRG " and resid 186 and name HB% )
3.200 1.300 1.300 peak 559 spectrum 1 weight 0.10000E+01 volume 0.67036E-03 ppm1 1.160 ppm2 3.576 CV 1
OR { 559}
(( segid "MRG " and resid 261 and name HD1 ))
( segid "MRG " and resid 186 and name HB% )
OR { 559}
(( segid "MRG " and resid 270 and name HA ))
( segid "MRG " and resid 275 and name HB% )
ASSI { 560}
(( segid "MRG " and resid 187 and name HB1 ))
(( segid "MRG " and resid 187 and name HA ))
2.100 0.500 0.500 peak 560 spectrum 1 weight 0.10000E+01 volume 0.17261E-01 ppm1 3.998 ppm2 1.768 CV 1
OR { 560}
(( segid "MRG " and resid 300 and name HB1 ))
(( segid "MRG " and resid 300 and name HA ))
OR { 560}
(( segid "MRG " and resid 168 and name HG ))
(( segid "MRG " and resid 168 and name HA ))
ASSI { 566}
(( segid "MRG " and resid 187 and name HD2 ))
(( segid "MRG " and resid 187 and name HE1 ))
2.000 0.500 0.500 peak 566 spectrum 1 weight 0.10000E+01 volume 0.17261E-01 ppm1 2.787 ppm2 1.592 CV 1
OR { 566}
(( segid "MRG " and resid 321 and name HD1 ))
(( segid "MRG " and resid 321 and name HE2 ))
OR { 566}
(( segid "MRG " and resid 187 and name HD1 ))
(( segid "MRG " and resid 187 and name HE1 ))
ASSI { 568}
(( segid "MRG " and resid 160 and name HB ))
(( segid "MRG " and resid 165 and name HE2 ))
2.900 1.000 1.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.24807E-02 ppm1 2.692 ppm2 1.775 CV 1
OR { 568}
(( segid "MRG " and resid 187 and name HB1 ))
(( segid "MRG " and resid 187 and name HE2 ))
ASSI { 572}
(( segid "MRG " and resid 187 and name HA ))
(( segid "MRG " and resid 187 and name HG1 ))
2.600 0.800 0.800 peak 572 spectrum 1 weight 0.10000E+01 volume 0.63022E-02 ppm1 1.507 ppm2 3.989 CV 1
OR { 572}
(( segid "MRG " and resid 236 and name HA ))
(( segid "MRG " and resid 236 and name HG1 ))
OR { 572}
(( segid "MRG " and resid 236 and name HA ))
(( segid "MRG " and resid 236 and name HG2 ))
ASSI { 574}
(( segid "MRG " and resid 187 and name HE2 ))
(( segid "MRG " and resid 187 and name HG1 ))
3.900 1.900 1.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.36569E-03 ppm1 1.490 ppm2 2.691 CV 1
OR { 574}
(( segid "MRG " and resid 280 and name HB2 ))
(( segid "MRG " and resid 282 and name HG1 ))
ASSI { 595}
(( segid "MRG " and resid 188 and name HG1 ))
(( segid "MRG " and resid 188 and name HD1 ))
2.800 0.900 0.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.41748E-02 ppm1 1.679 ppm2 1.252 CV 1
OR { 595}
( segid "MRG " and resid 213 and name HB% )
(( segid "MRG " and resid 210 and name HD1 ))
ASSI { 604}
(( segid "MRG " and resid 321 and name HD1 ))
(( segid "MRG " and resid 321 and name HE2 ))
2.300 0.600 0.600 peak 604 spectrum 1 weight 0.10000E+01 volume 0.89113E-02 ppm1 2.791 ppm2 1.547 CV 1
OR { 604}
(( segid "MRG " and resid 188 and name HD2 ))
(( segid "MRG " and resid 188 and name HE1 ))
OR { 604}
(( segid "MRG " and resid 321 and name HD1 ))
(( segid "MRG " and resid 321 and name HE1 ))
ASSI { 610}
(( segid "MRG " and resid 193 and name HG11))
(( segid "MRG " and resid 188 and name HE2 ))
4.600 2.600 1.400 peak 610 spectrum 1 weight 0.10000E+01 volume 0.19027E-03 ppm1 2.521 ppm2 1.872 CV 1
OR { 610}
(( segid "MRG " and resid 188 and name HB1 ))
(( segid "MRG " and resid 188 and name HE2 ))
ASSI { 616}
( segid "MRG " and resid 193 and name HD1%)
(( segid "MRG " and resid 188 and name HE2 ))
3.200 1.300 1.300 peak 616 spectrum 1 weight 0.10000E+01 volume 0.12966E-02 ppm1 2.514 ppm2 0.638 CV 1
OR { 616}
( segid "MRG " and resid 305 and name HD1%)
(( segid "MRG " and resid 188 and name HE2 ))
ASSI { 628}
( segid "MRG " and resid 186 and name HB% )
(( segid "MRG " and resid 189 and name HA ))
3.200 1.300 1.300 peak 628 spectrum 1 weight 0.10000E+01 volume 0.14853E-02 ppm1 4.813 ppm2 1.164 CV 1
OR { 628}
(( segid "MRG " and resid 188 and name HG2 ))
(( segid "MRG " and resid 189 and name HA ))
ASSI { 632}
( segid "MRG " and resid 186 and name HB% )
(( segid "MRG " and resid 189 and name HB1 ))
4.500 2.500 1.500 peak 632 spectrum 1 weight 0.10000E+01 volume 0.22319E-03 ppm1 3.393 ppm2 1.161 CV 1
OR { 632}
(( segid "MRG " and resid 188 and name HG2 ))
(( segid "MRG " and resid 189 and name HB1 ))
ASSI { 635}
( segid "MRG " and resid 186 and name HB% )
(( segid "MRG " and resid 189 and name HB2 ))
4.800 2.900 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.26534E-03 ppm1 2.573 ppm2 1.161 CV 1
OR { 635}
(( segid "MRG " and resid 188 and name HG2 ))
(( segid "MRG " and resid 189 and name HB2 ))
ASSI { 645}
(( segid "MRG " and resid 191 and name HA ))
( segid "MRG " and resid 190 and name HG1%)
3.900 1.900 1.900 peak 645 spectrum 1 weight 0.10000E+01 volume 0.70247E-03 ppm1 0.363 ppm2 4.071 CV 1
OR { 645}
(( segid "MRG " and resid 263 and name HA ))
( segid "MRG " and resid 190 and name HG1%)
OR { 645}
(( segid "MRG " and resid 194 and name HA ))
( segid "MRG " and resid 190 and name HG1%)
ASSI { 649}
(( segid "MRG " and resid 194 and name HG ))
( segid "MRG " and resid 190 and name HG1%)
3.000 1.100 1.100 peak 649 spectrum 1 weight 0.10000E+01 volume 0.14170E-02 ppm1 0.361 ppm2 1.780 CV 1
OR { 649}
(( segid "MRG " and resid 263 and name HG ))
( segid "MRG " and resid 190 and name HG1%)
ASSI { 651}
( segid "MRG " and resid 194 and name HD2%)
( segid "MRG " and resid 190 and name HG1%)
2.700 0.900 0.900 peak 651 spectrum 1 weight 0.10000E+01 volume 0.46966E-02 ppm1 0.363 ppm2 0.535 CV 1
OR { 651}
( segid "MRG " and resid 221 and name HG2%)
( segid "MRG " and resid 190 and name HG1%)
ASSI { 655}
(( segid "MRG " and resid 255 and name HB1 ))
( segid "MRG " and resid 190 and name HG1%)
3.300 1.300 1.300 peak 655 spectrum 1 weight 0.10000E+01 volume 0.98347E-03 ppm1 0.359 ppm2 3.809 CV 1
OR { 655}
(( segid "MRG " and resid 260 and name HA ))
( segid "MRG " and resid 190 and name HG1%)
ASSI { 667}
(( segid "MRG " and resid 255 and name HB2 ))
( segid "MRG " and resid 190 and name HG2%)
3.500 1.600 1.600 peak 667 spectrum 1 weight 0.10000E+01 volume 0.77875E-03 ppm1 0.150 ppm2 3.788 CV 1
OR { 667}
(( segid "MRG " and resid 255 and name HB1 ))
( segid "MRG " and resid 190 and name HG2%)
OR { 667}
(( segid "MRG " and resid 260 and name HA ))
( segid "MRG " and resid 190 and name HG2%)
ASSI { 668}
(( segid "MRG " and resid 263 and name HA ))
( segid "MRG " and resid 190 and name HG2%)
4.800 2.900 1.200 peak 668 spectrum 1 weight 0.10000E+01 volume 0.22680E-03 ppm1 0.150 ppm2 4.065 CV 1
OR { 668}
(( segid "MRG " and resid 191 and name HA ))
( segid "MRG " and resid 190 and name HG2%)
ASSI { 682}
(( segid "MRG " and resid 188 and name HE2 ))
(( segid "MRG " and resid 192 and name HB1 ))
4.000 2.000 2.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.75467E-03 ppm1 4.023 ppm2 2.514 CV 1
OR { 682}
(( segid "MRG " and resid 191 and name HB1 ))
(( segid "MRG " and resid 192 and name HB2 ))
OR { 682}
(( segid "MRG " and resid 188 and name HE2 ))
(( segid "MRG " and resid 192 and name HB2 ))
ASSI { 696}
(( segid "MRG " and resid 221 and name HG12))
(( segid "MRG " and resid 221 and name HG11))
2.500 0.800 0.800 peak 696 spectrum 1 weight 0.10000E+01 volume 0.17261E-02 ppm1 1.894 ppm2 0.635 CV 1
OR { 696}
( segid "MRG " and resid 193 and name HD1%)
(( segid "MRG " and resid 193 and name HG11))
ASSI { 707}
( segid "MRG " and resid 193 and name HG2%)
( segid "MRG " and resid 193 and name HD1%)
2.300 0.700 0.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.77875E-02 ppm1 0.635 ppm2 0.958 CV 1
OR { 707}
( segid "MRG " and resid 260 and name HB% )
( segid "MRG " and resid 193 and name HD1%)
ASSI { 718}
(( segid "MRG " and resid 194 and name HA ))
( segid "MRG " and resid 193 and name HG2%)
4.400 2.400 1.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.22600E-03 ppm1 0.980 ppm2 4.061 CV 1
OR { 718}
(( segid "MRG " and resid 192 and name HB1 ))
( segid "MRG " and resid 193 and name HG2%)
OR { 718}
(( segid "MRG " and resid 192 and name HB2 ))
( segid "MRG " and resid 193 and name HG2%)
ASSI { 725}
( segid "MRG " and resid 298 and name HD2%)
( segid "MRG " and resid 193 and name HG2%)
2.300 0.700 0.700 peak 725 spectrum 1 weight 0.10000E+01 volume 0.77875E-02 ppm1 0.979 ppm2 0.540 CV 1
OR { 725}
( segid "MRG " and resid 194 and name HD2%)
( segid "MRG " and resid 193 and name HG2%)
ASSI { 727}
(( segid "MRG " and resid 194 and name HB1 ))
(( segid "MRG " and resid 194 and name HA ))
2.000 0.500 0.500 peak 727 spectrum 1 weight 0.10000E+01 volume 0.15013E-01 ppm1 4.057 ppm2 1.962 CV 1
OR { 727}
(( segid "MRG " and resid 211 and name HB1 ))
(( segid "MRG " and resid 211 and name HA ))
OR { 727}
(( segid "MRG " and resid 211 and name HB2 ))
(( segid "MRG " and resid 211 and name HA ))
ASSI { 728}
(( segid "MRG " and resid 194 and name HB2 ))
(( segid "MRG " and resid 194 and name HA ))
2.900 1.100 1.100 peak 728 spectrum 1 weight 0.10000E+01 volume 0.26333E-02 ppm1 4.057 ppm2 1.408 CV 1
OR { 728}
(( segid "MRG " and resid 202 and name HG2 ))
(( segid "MRG " and resid 211 and name HA ))
ASSI { 733}
(( segid "MRG " and resid 194 and name HA ))
(( segid "MRG " and resid 194 and name HB1 ))
3.600 1.600 1.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.37010E-03 ppm1 1.958 ppm2 4.077 CV 1
OR { 733}
(( segid "MRG " and resid 191 and name HA ))
(( segid "MRG " and resid 194 and name HB1 ))
ASSI { 734}
(( segid "MRG " and resid 191 and name HA ))
(( segid "MRG " and resid 194 and name HB2 ))
4.400 2.400 1.600 peak 734 spectrum 1 weight 0.10000E+01 volume 0.15495E-03 ppm1 1.415 ppm2 4.078 CV 1
OR { 734}
(( segid "MRG " and resid 194 and name HA ))
(( segid "MRG " and resid 194 and name HB2 ))
ASSI { 740}
(( segid "MRG " and resid 191 and name HA ))
( segid "MRG " and resid 194 and name HD1%)
3.000 1.100 1.100 peak 740 spectrum 1 weight 0.10000E+01 volume 0.20472E-02 ppm1 0.737 ppm2 4.075 CV 1
OR { 740}
(( segid "MRG " and resid 194 and name HA ))
( segid "MRG " and resid 194 and name HD1%)
ASSI { 743}
(( segid "MRG " and resid 194 and name HG ))
( segid "MRG " and resid 194 and name HD1%)
2.400 0.700 0.700 peak 743 spectrum 1 weight 0.10000E+01 volume 0.57403E-02 ppm1 0.739 ppm2 1.773 CV 1
OR { 743}
(( segid "MRG " and resid 295 and name HB2 ))
( segid "MRG " and resid 295 and name HD1%)
OR { 743}
(( segid "MRG " and resid 295 and name HB1 ))
( segid "MRG " and resid 295 and name HD1%)
ASSI { 746}
(( segid "MRG " and resid 222 and name HB1 ))
( segid "MRG " and resid 194 and name HD1%)
3.200 1.300 1.300 peak 746 spectrum 1 weight 0.10000E+01 volume 0.29424E-02 ppm1 0.738 ppm2 1.830 CV 1
OR { 746}
(( segid "MRG " and resid 193 and name HB ))
( segid "MRG " and resid 194 and name HD1%)
ASSI { 756}
(( segid "MRG " and resid 298 and name HG ))
( segid "MRG " and resid 298 and name HD2%)
2.400 0.700 0.700 peak 756 spectrum 1 weight 0.10000E+01 volume 0.65032E-02 ppm1 0.548 ppm2 1.143 CV 1
OR { 756}
( segid "MRG " and resid 218 and name HG1%)
( segid "MRG " and resid 194 and name HD2%)
ASSI { 757}
( segid "MRG " and resid 218 and name HG2%)
( segid "MRG " and resid 194 and name HD2%)
2.300 0.700 0.700 peak 757 spectrum 1 weight 0.10000E+01 volume 0.96338E-02 ppm1 0.549 ppm2 0.995 CV 1
OR { 757}
( segid "MRG " and resid 193 and name HG2%)
( segid "MRG " and resid 298 and name HD2%)
OR { 757}
( segid "MRG " and resid 193 and name HG2%)
( segid "MRG " and resid 194 and name HD2%)
ASSI { 758}
(( segid "MRG " and resid 221 and name HG11))
( segid "MRG " and resid 194 and name HD2%)
3.500 1.600 1.600 peak 758 spectrum 1 weight 0.10000E+01 volume 0.16217E-02 ppm1 0.536 ppm2 1.878 CV 1
OR { 758}
(( segid "MRG " and resid 193 and name HG11))
( segid "MRG " and resid 194 and name HD2%)
ASSI { 760}
( segid "MRG " and resid 294 and name HD% )
( segid "MRG " and resid 298 and name HD2%)
4.900 3.000 1.100 peak 760 spectrum 1 weight 0.10000E+01 volume 0.20272E-03 ppm1 0.531 ppm2 6.069 CV 1
OR { 760}
( segid "MRG " and resid 294 and name HD% )
( segid "MRG " and resid 194 and name HD2%)
ASSI { 761}
( segid "MRG " and resid 294 and name HE% )
( segid "MRG " and resid 194 and name HD2%)
3.000 1.100 1.100 peak 761 spectrum 1 weight 0.10000E+01 volume 0.16498E-02 ppm1 0.529 ppm2 -1.099 CV 1
OR { 761}
( segid "MRG " and resid 294 and name HE% )
( segid "MRG " and resid 298 and name HD2%)
ASSI { 765}
(( segid "MRG " and resid 241 and name HA ))
(( segid "MRG " and resid 244 and name HB1 ))
2.300 0.700 0.700 peak 765 spectrum 1 weight 0.10000E+01 volume 0.58604E-02 ppm1 2.115 ppm2 4.223 CV 1
OR { 765}
(( segid "MRG " and resid 241 and name HA ))
(( segid "MRG " and resid 244 and name HB2 ))
OR { 765}
(( segid "MRG " and resid 192 and name HA ))
(( segid "MRG " and resid 195 and name HB1 ))
ASSI { 772}
( segid "MRG " and resid 198 and name HB% )
(( segid "MRG " and resid 195 and name HG1 ))
3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.26774E-02 ppm1 2.258 ppm2 1.417 CV 1
OR { 772}
( segid "MRG " and resid 198 and name HB% )
(( segid "MRG " and resid 195 and name HG2 ))
OR { 772}
(( segid "MRG " and resid 194 and name HB2 ))
(( segid "MRG " and resid 195 and name HG1 ))
ASSI { 793}
(( segid "MRG " and resid 202 and name HE1 ))
( segid "MRG " and resid 198 and name HB% )
3.400 1.500 1.500 peak 793 spectrum 1 weight 0.10000E+01 volume 0.11842E-02 ppm1 1.414 ppm2 2.844 CV 1
OR { 793}
(( segid "MRG " and resid 202 and name HE2 ))
( segid "MRG " and resid 198 and name HB% )
OR { 793}
(( segid "MRG " and resid 199 and name HB1 ))
( segid "MRG " and resid 198 and name HB% )
ASSI { 805}
(( segid "MRG " and resid 196 and name HA ))
(( segid "MRG " and resid 199 and name HB2 ))
2.600 0.900 0.900 peak 805 spectrum 1 weight 0.10000E+01 volume 0.48973E-02 ppm1 2.772 ppm2 4.377 CV 1
OR { 805}
(( segid "MRG " and resid 199 and name HA ))
(( segid "MRG " and resid 199 and name HB2 ))
ASSI { 816}
(( segid "MRG " and resid 201 and name HD2 ))
(( segid "MRG " and resid 201 and name HA ))
2.400 0.700 0.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.46565E-02 ppm1 3.592 ppm2 1.459 CV 1
OR { 816}
(( segid "MRG " and resid 204 and name HG1 ))
(( segid "MRG " and resid 201 and name HA ))
ASSI { 827}
(( segid "MRG " and resid 188 and name HB2 ))
(( segid "MRG " and resid 188 and name HB1 ))
1.800 0.400 0.400 peak 827 spectrum 1 weight 0.10000E+01 volume 0.13247E-01 ppm1 1.862 ppm2 1.411 CV 1
OR { 827}
(( segid "MRG " and resid 202 and name HG2 ))
(( segid "MRG " and resid 202 and name HB1 ))
ASSI { 833}
(( segid "MRG " and resid 202 and name HG2 ))
(( segid "MRG " and resid 202 and name HE2 ))
2.200 0.600 0.600 peak 833 spectrum 1 weight 0.10000E+01 volume 0.11761E-01 ppm1 2.838 ppm2 1.405 CV 1
OR { 833}
(( segid "MRG " and resid 222 and name HG2 ))
(( segid "MRG " and resid 222 and name HE1 ))
OR { 833}
(( segid "MRG " and resid 202 and name HG2 ))
(( segid "MRG " and resid 202 and name HE1 ))
OR { 833}
(( segid "MRG " and resid 222 and name HG2 ))
(( segid "MRG " and resid 222 and name HE2 ))
OR { 833}
(( segid "MRG " and resid 222 and name HG1 ))
(( segid "MRG " and resid 222 and name HE2 ))
OR { 833}
(( segid "MRG " and resid 222 and name HG1 ))
(( segid "MRG " and resid 222 and name HE1 ))
ASSI { 837}
(( segid "MRG " and resid 214 and name HB ))
(( segid "MRG " and resid 202 and name HE1 ))
3.000 1.100 1.100 peak 837 spectrum 1 weight 0.10000E+01 volume 0.20272E-02 ppm1 2.840 ppm2 1.986 CV 1
OR { 837}
(( segid "MRG " and resid 214 and name HB ))
(( segid "MRG " and resid 202 and name HE2 ))
OR { 837}
(( segid "MRG " and resid 211 and name HB1 ))
(( segid "MRG " and resid 202 and name HE2 ))
OR { 837}
(( segid "MRG " and resid 211 and name HB2 ))
(( segid "MRG " and resid 202 and name HE2 ))
OR { 837}
(( segid "MRG " and resid 211 and name HB2 ))
(( segid "MRG " and resid 202 and name HE1 ))
OR { 837}
(( segid "MRG " and resid 211 and name HB1 ))
(( segid "MRG " and resid 202 and name HE1 ))
ASSI { 839}
( segid "MRG " and resid 214 and name HG2%)
(( segid "MRG " and resid 202 and name HE2 ))
2.600 0.900 0.900 peak 839 spectrum 1 weight 0.10000E+01 volume 0.31270E-02 ppm1 2.843 ppm2 0.858 CV 1
OR { 839}
( segid "MRG " and resid 214 and name HG2%)
(( segid "MRG " and resid 202 and name HE1 ))
OR { 839}
(( segid "MRG " and resid 201 and name HG2 ))
(( segid "MRG " and resid 202 and name HE1 ))
OR { 839}
(( segid "MRG " and resid 201 and name HG2 ))
(( segid "MRG " and resid 202 and name HE2 ))
ASSI { 846}
( segid "MRG " and resid 231 and name HG2%)
(( segid "MRG " and resid 231 and name HA ))
2.200 0.600 0.600 peak 846 spectrum 1 weight 0.10000E+01 volume 0.13889E-01 ppm1 4.258 ppm2 1.127 CV 1
OR { 846}
( segid "MRG " and resid 304 and name HG2%)
(( segid "MRG " and resid 304 and name HA ))
OR { 846}
( segid "MRG " and resid 207 and name HG2%)
(( segid "MRG " and resid 207 and name HA ))
ASSI { 870}
(( segid "MRG " and resid 206 and name HA ))
(( segid "MRG " and resid 206 and name HB2 ))
2.700 0.900 0.900 peak 870 spectrum 1 weight 0.10000E+01 volume 0.34803E-02 ppm1 2.736 ppm2 4.759 CV 1
OR { 870}
(( segid "MRG " and resid 235 and name HA ))
(( segid "MRG " and resid 235 and name HB2 ))
ASSI { 872}
(( segid "MRG " and resid 207 and name HB ))
( segid "MRG " and resid 207 and name HG2%)
2.000 0.500 0.500 peak 872 spectrum 1 weight 0.10000E+01 volume 0.22399E-01 ppm1 1.133 ppm2 4.265 CV 1
OR { 872}
(( segid "MRG " and resid 304 and name HA ))
( segid "MRG " and resid 304 and name HG2%)
OR { 872}
(( segid "MRG " and resid 207 and name HA ))
( segid "MRG " and resid 207 and name HG2%)
ASSI { 874}
(( segid "MRG " and resid 208 and name HA ))
(( segid "MRG " and resid 208 and name HB2 ))
2.200 0.600 0.600 peak 874 spectrum 1 weight 0.10000E+01 volume 0.15013E-01 ppm1 2.654 ppm2 4.572 CV 1
OR { 874}
(( segid "MRG " and resid 251 and name HA ))
(( segid "MRG " and resid 251 and name HB2 ))
OR { 874}
(( segid "MRG " and resid 208 and name HA ))
(( segid "MRG " and resid 208 and name HB1 ))
ASSI { 890}
(( segid "MRG " and resid 222 and name HD1 ))
(( segid "MRG " and resid 222 and name HB2 ))
3.000 1.100 1.100 peak 890 spectrum 1 weight 0.10000E+01 volume 0.27015E-02 ppm1 1.765 ppm2 1.252 CV 1
OR { 890}
(( segid "MRG " and resid 222 and name HD2 ))
(( segid "MRG " and resid 222 and name HB2 ))
OR { 890}
( segid "MRG " and resid 213 and name HB% )
(( segid "MRG " and resid 210 and name HB1 ))
ASSI { 900}
(( segid "MRG " and resid 245 and name HG12))
(( segid "MRG " and resid 244 and name HG2 ))
3.200 1.300 1.300 peak 900 spectrum 1 weight 0.10000E+01 volume 0.19188E-02 ppm1 2.164 ppm2 1.401 CV 1
OR { 900}
(( segid "MRG " and resid 202 and name HG2 ))
(( segid "MRG " and resid 211 and name HG1 ))
OR { 900}
( segid "MRG " and resid 247 and name HB% )
(( segid "MRG " and resid 244 and name HG2 ))
ASSI { 907}
(( segid "MRG " and resid 212 and name HB2 ))
(( segid "MRG " and resid 212 and name HA ))
2.400 0.700 0.700 peak 907 spectrum 1 weight 0.10000E+01 volume 0.80687E-02 ppm1 4.421 ppm2 2.895 CV 1
OR { 907}
(( segid "MRG " and resid 293 and name HB2 ))
(( segid "MRG " and resid 293 and name HA ))
OR { 907}
(( segid "MRG " and resid 276 and name HB2 ))
(( segid "MRG " and resid 276 and name HA ))
ASSI { 917}
( segid "MRG " and resid 214 and name HG1%)
( segid "MRG " and resid 213 and name HB% )
3.800 1.800 1.800 peak 917 spectrum 1 weight 0.10000E+01 volume 0.19027E-02 ppm1 1.247 ppm2 0.915 CV 1
OR { 917}
( segid "MRG " and resid 217 and name HG1%)
( segid "MRG " and resid 213 and name HB% )
ASSI { 918}
(( segid "MRG " and resid 213 and name HA ))
( segid "MRG " and resid 213 and name HB% )
2.100 0.600 0.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.12725E-01 ppm1 1.247 ppm2 4.221 CV 1
OR { 918}
(( segid "MRG " and resid 210 and name HA ))
( segid "MRG " and resid 213 and name HB% )
ASSI { 930}
(( segid "MRG " and resid 211 and name HA ))
(( segid "MRG " and resid 214 and name HB ))
3.100 1.200 1.200 peak 930 spectrum 1 weight 0.10000E+01 volume 0.20151E-02 ppm1 2.009 ppm2 4.050 CV 1
OR { 930}
(( segid "MRG " and resid 275 and name HA ))
(( segid "MRG " and resid 156 and name HB ))
OR { 930}
(( segid "MRG " and resid 155 and name HA ))
(( segid "MRG " and resid 156 and name HB ))
ASSI { 933}
( segid "MRG " and resid 214 and name HG2%)
(( segid "MRG " and resid 214 and name HB ))
1.800 0.400 0.400 peak 933 spectrum 1 weight 0.10000E+01 volume 0.32716E-01 ppm1 2.010 ppm2 0.838 CV 1
OR { 933}
( segid "MRG " and resid 156 and name HG1%)
(( segid "MRG " and resid 156 and name HB ))
OR { 933}
( segid "MRG " and resid 156 and name HG2%)
(( segid "MRG " and resid 156 and name HB ))
ASSI { 939}
(( segid "MRG " and resid 211 and name HA ))
( segid "MRG " and resid 214 and name HG1%)
4.100 2.100 1.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.77072E-03 ppm1 0.914 ppm2 4.066 CV 1
OR { 939}
(( segid "MRG " and resid 194 and name HA ))
( segid "MRG " and resid 214 and name HG1%)
OR { 939}
(( segid "MRG " and resid 195 and name HA ))
( segid "MRG " and resid 214 and name HG1%)
ASSI { 946}
(( segid "MRG " and resid 210 and name HG2 ))
( segid "MRG " and resid 214 and name HG2%)
2.900 1.100 1.100 peak 946 spectrum 1 weight 0.10000E+01 volume 0.46966E-02 ppm1 0.864 ppm2 1.411 CV 1
OR { 946}
( segid "MRG " and resid 198 and name HB% )
( segid "MRG " and resid 214 and name HG2%)
OR { 946}
(( segid "MRG " and resid 210 and name HG1 ))
( segid "MRG " and resid 214 and name HG2%)
ASSI { 963}
( segid "MRG " and resid 219 and name HB% )
(( segid "MRG " and resid 216 and name HA ))
2.200 0.600 0.600 peak 963 spectrum 1 weight 0.10000E+01 volume 0.99953E-02 ppm1 4.054 ppm2 1.402 CV 1
OR { 963}
( segid "MRG " and resid 198 and name HB% )
(( segid "MRG " and resid 195 and name HA ))
ASSI { 997}
( segid "MRG " and resid 194 and name HD2%)
(( segid "MRG " and resid 218 and name HA ))
3.200 1.300 1.300 peak 997 spectrum 1 weight 0.10000E+01 volume 0.13247E-02 ppm1 3.532 ppm2 0.536 CV 1
OR { 997}
( segid "MRG " and resid 221 and name HG2%)
(( segid "MRG " and resid 218 and name HA ))
ASSI { 999}
( segid "MRG " and resid 217 and name HG1%)
(( segid "MRG " and resid 218 and name HA ))
3.300 1.400 1.400 peak 999 spectrum 1 weight 0.10000E+01 volume 0.12163E-02 ppm1 3.532 ppm2 0.899 CV 1
OR { 999}
( segid "MRG " and resid 214 and name HG1%)
(( segid "MRG " and resid 218 and name HA ))
ASSI { 1013}
( segid "MRG " and resid 303 and name HB% )
( segid "MRG " and resid 304 and name HG2%)
2.600 0.900 0.900 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.10236E-01 ppm1 1.120 ppm2 1.434 CV 1
OR { 1013}
(( segid "MRG " and resid 194 and name HB2 ))
( segid "MRG " and resid 218 and name HG1%)
ASSI { 1014}
( segid "MRG " and resid 214 and name HG2%)
( segid "MRG " and resid 218 and name HG1%)
3.000 1.200 1.200 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.21556E-02 ppm1 1.123 ppm2 0.861 CV 1
OR { 1014}
( segid "MRG " and resid 214 and name HG2%)
( segid "MRG " and resid 207 and name HG2%)
OR { 1014}
(( segid "MRG " and resid 201 and name HG2 ))
( segid "MRG " and resid 207 and name HG2%)
ASSI { 1018}
( segid "MRG " and resid 194 and name HD1%)
( segid "MRG " and resid 218 and name HG2%)
2.800 1.000 1.000 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.75866E-02 ppm1 0.998 ppm2 0.755 CV 1
OR { 1018}
( segid "MBD " and resid 96 and name HD2%)
( segid "MRG " and resid 227 and name HG1%)
ASSI { 1021}
(( segid "MRG " and resid 194 and name HB2 ))
( segid "MRG " and resid 218 and name HG2%)
2.500 0.800 0.800 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.56600E-02 ppm1 1.013 ppm2 1.419 CV 1
OR { 1021}
( segid "MRG " and resid 198 and name HB% )
( segid "MRG " and resid 218 and name HG2%)
ASSI { 1025}
(( segid "MRG " and resid 202 and name HE1 ))
( segid "MRG " and resid 218 and name HG2%)
3.600 1.600 1.600 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.90719E-03 ppm1 1.013 ppm2 2.833 CV 1
OR { 1025}
(( segid "MRG " and resid 202 and name HE2 ))
( segid "MRG " and resid 218 and name HG2%)
OR { 1025}
(( segid "MRG " and resid 196 and name HB2 ))
( segid "MRG " and resid 218 and name HG2%)
ASSI { 1031}
(( segid "MRG " and resid 247 and name HA ))
( segid "MRG " and resid 247 and name HB% )
1.800 0.400 0.400 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.35124E-01 ppm1 1.389 ppm2 3.991 CV 1
OR { 1031}
(( segid "MRG " and resid 219 and name HA ))
( segid "MRG " and resid 219 and name HB% )
ASSI { 1054}
(( segid "MRG " and resid 294 and name HB1 ))
( segid "MRG " and resid 221 and name HD1%)
4.400 2.400 1.600 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.23844E-03 ppm1 0.243 ppm2 2.935 CV 1
OR { 1054}
(( segid "MRG " and resid 225 and name HB2 ))
( segid "MRG " and resid 221 and name HD1%)
ASSI { 1058}
(( segid "MRG " and resid 270 and name HG12))
( segid "MRG " and resid 270 and name HD1%)
2.200 0.600 0.600 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.10678E-01 ppm1 0.241 ppm2 0.815 CV 1
OR { 1058}
( segid "MRG " and resid 291 and name HD1%)
( segid "MRG " and resid 270 and name HD1%)
ASSI { 1062}
(( segid "MRG " and resid 263 and name HG ))
( segid "MRG " and resid 221 and name HG2%)
3.800 1.800 1.800 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.76270E-03 ppm1 0.561 ppm2 1.785 CV 1
OR { 1062}
(( segid "MRG " and resid 222 and name HB2 ))
( segid "MRG " and resid 221 and name HG2%)
OR { 1062}
(( segid "MRG " and resid 194 and name HG ))
( segid "MRG " and resid 221 and name HG2%)
ASSI { 1081}
(( segid "MRG " and resid 222 and name HE2 ))
(( segid "MRG " and resid 222 and name HB1 ))
3.600 1.600 1.600 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.10678E-02 ppm1 1.827 ppm2 2.835 CV 1
OR { 1081}
(( segid "MRG " and resid 222 and name HE1 ))
(( segid "MRG " and resid 222 and name HB1 ))
OR { 1081}
(( segid "MRG " and resid 202 and name HE1 ))
(( segid "MRG " and resid 202 and name HB1 ))
OR { 1081}
(( segid "MRG " and resid 202 and name HE1 ))
(( segid "MRG " and resid 202 and name HB2 ))
OR { 1081}
(( segid "MRG " and resid 202 and name HE2 ))
(( segid "MRG " and resid 202 and name HB1 ))
ASSI { 1084}
(( segid "MRG " and resid 211 and name HA ))
(( segid "MRG " and resid 202 and name HE2 ))
2.900 1.000 1.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.23483E-02 ppm1 2.837 ppm2 4.055 CV 1
OR { 1084}
(( segid "MRG " and resid 211 and name HA ))
(( segid "MRG " and resid 202 and name HE1 ))
OR { 1084}
(( segid "MRG " and resid 202 and name HA ))
(( segid "MRG " and resid 202 and name HE2 ))
ASSI { 1086}
( segid "MRG " and resid 218 and name HG2%)
(( segid "MRG " and resid 222 and name HE2 ))
3.300 1.400 1.400 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.13889E-02 ppm1 2.830 ppm2 1.007 CV 1
OR { 1086}
( segid "MRG " and resid 218 and name HG2%)
(( segid "MRG " and resid 222 and name HE1 ))
OR { 1086}
( segid "MRG " and resid 218 and name HG2%)
(( segid "MRG " and resid 202 and name HE1 ))
OR { 1086}
( segid "MRG " and resid 218 and name HG2%)
(( segid "MRG " and resid 202 and name HE2 ))
ASSI { 1091}
(( segid "MRG " and resid 202 and name HE2 ))
(( segid "MRG " and resid 202 and name HG2 ))
2.800 1.000 1.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.33719E-02 ppm1 1.389 ppm2 2.810 CV 1
OR { 1091}
(( segid "MRG " and resid 202 and name HE1 ))
(( segid "MRG " and resid 202 and name HG2 ))
OR { 1091}
(( segid "MRG " and resid 187 and name HE1 ))
(( segid "MRG " and resid 187 and name HG2 ))
OR { 1091}
(( segid "MRG " and resid 222 and name HE2 ))
(( segid "MRG " and resid 222 and name HG2 ))
OR { 1091}
(( segid "MRG " and resid 222 and name HE2 ))
(( segid "MRG " and resid 222 and name HG1 ))
OR { 1091}
(( segid "MRG " and resid 222 and name HE1 ))
(( segid "MRG " and resid 222 and name HG1 ))
ASSI { 1092}
(( segid "MRG " and resid 282 and name HG2 ))
(( segid "MRG " and resid 282 and name HA ))
2.900 1.000 1.000 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.44156E-02 ppm1 4.109 ppm2 1.396 CV 1
OR { 1092}
(( segid "MRG " and resid 222 and name HG2 ))
(( segid "MRG " and resid 223 and name HA ))
ASSI { 1093}
(( segid "MRG " and resid 223 and name HB1 ))
(( segid "MRG " and resid 223 and name HA ))
2.200 0.600 0.600 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.89113E-02 ppm1 4.108 ppm2 1.916 CV 1
OR { 1093}
(( segid "MRG " and resid 282 and name HB1 ))
(( segid "MRG " and resid 282 and name HA ))
ASSI { 1094}
(( segid "MRG " and resid 282 and name HB2 ))
(( segid "MRG " and resid 282 and name HA ))
2.500 0.800 0.800 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.55797E-02 ppm1 4.108 ppm2 1.824 CV 1
OR { 1094}
(( segid "MRG " and resid 223 and name HB2 ))
(( segid "MRG " and resid 223 and name HA ))
ASSI { 1115}
( segid "MRG " and resid 224 and name HD% )
( segid "MRG " and resid 227 and name HG1%)
3.100 1.200 1.200 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.22038E-02 ppm1 0.981 ppm2 -1.055 CV 1
OR { 1115}
( segid "MBD " and resid 98 and name HE% )
( segid "MRG " and resid 227 and name HG1%)
ASSI { 1138}
( segid "MBD " and resid 98 and name HE% )
( segid "MRG " and resid 228 and name HE% )
3.900 1.900 1.900 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.35204E-03 ppm1 1.677 ppm2 -1.068 CV 1
OR { 1138}
( segid "MRG " and resid 224 and name HD% )
( segid "MRG " and resid 228 and name HE% )
ASSI { 1145}
( segid "MRG " and resid 266 and name HD1%)
( segid "MRG " and resid 228 and name HE% )
2.800 1.000 1.000 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.34040E-02 ppm1 1.680 ppm2 0.797 CV 1
OR { 1145}
(( segid "MRG " and resid 270 and name HG12))
( segid "MRG " and resid 228 and name HE% )
ASSI { 1159}
( segid "MRG " and resid 225 and name HE% )
( segid "MRG " and resid 229 and name HD1%)
4.200 2.300 1.800 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.27939E-03 ppm1 0.009 ppm2 -1.198 CV 1
OR { 1159}
( segid "MRG " and resid 242 and name HE% )
( segid "MRG " and resid 229 and name HD1%)
ASSI { 1164}
(( segid "MRG " and resid 233 and name HB2 ))
( segid "MRG " and resid 229 and name HD1%)
4.100 2.100 1.900 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.38656E-03 ppm1 0.007 ppm2 1.383 CV 1
OR { 1164}
(( segid "MRG " and resid 234 and name HB1 ))
( segid "MRG " and resid 229 and name HD1%)
ASSI { 1169}
(( segid "MRG " and resid 230 and name HA2 ))
( segid "MRG " and resid 229 and name HD1%)
3.800 1.800 1.800 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.52184E-03 ppm1 0.011 ppm2 2.923 CV 1
OR { 1169}
(( segid "MRG " and resid 226 and name HB1 ))
( segid "MRG " and resid 229 and name HD1%)
OR { 1169}
(( segid "MRG " and resid 258 and name HB1 ))
( segid "MRG " and resid 229 and name HD1%)
ASSI { 1186}
( segid "MRG " and resid 242 and name HE% )
(( segid "MRG " and resid 230 and name HA1 ))
4.100 2.100 1.900 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.13126E-03 ppm1 3.411 ppm2 -1.199 CV 1
OR { 1186}
( segid "MRG " and resid 225 and name HE% )
(( segid "MRG " and resid 230 and name HA1 ))
ASSI { 1194}
(( segid "MBD " and resid 102 and name HA ))
(( segid "MRG " and resid 231 and name HB ))
2.900 1.000 1.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.20432E-02 ppm1 4.000 ppm2 4.362 CV 1
OR { 1194}
(( segid "MBD " and resid 101 and name HA ))
(( segid "MRG " and resid 231 and name HB ))
ASSI { 1197}
(( segid "MRG " and resid 228 and name HG2 ))
( segid "MRG " and resid 231 and name HG2%)
4.100 2.100 1.900 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.54591E-03 ppm1 1.103 ppm2 2.278 CV 1
OR { 1197}
(( segid "MBD " and resid 102 and name HG1 ))
( segid "MRG " and resid 231 and name HG2%)
ASSI { 1198}
(( segid "MBD " and resid 102 and name HA ))
( segid "MRG " and resid 231 and name HG2%)
3.000 1.100 1.100 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.29303E-02 ppm1 1.102 ppm2 4.360 CV 1
OR { 1198}
(( segid "MBD " and resid 101 and name HA ))
( segid "MRG " and resid 231 and name HG2%)
ASSI { 1208}
(( segid "MBD " and resid 103 and name HB1 ))
(( segid "MRG " and resid 232 and name HG1 ))
4.000 2.000 2.000 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.44156E-03 ppm1 2.321 ppm2 1.750 CV 1
OR { 1208}
(( segid "MBD " and resid 103 and name HB1 ))
(( segid "MRG " and resid 232 and name HG2 ))
OR { 1208}
(( segid "MRG " and resid 228 and name HB1 ))
(( segid "MRG " and resid 232 and name HG2 ))
OR { 1208}
(( segid "MRG " and resid 228 and name HB1 ))
(( segid "MRG " and resid 232 and name HG1 ))
OR { 1208}
(( segid "MRG " and resid 228 and name HB2 ))
(( segid "MRG " and resid 232 and name HG1 ))
ASSI { 1216}
(( segid "MBD " and resid 105 and name HB2 ))
(( segid "MRG " and resid 233 and name HA ))
3.200 1.300 1.300 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.10076E-02 ppm1 4.504 ppm2 1.662 CV 1
OR { 1216}
(( segid "MRG " and resid 232 and name HB2 ))
(( segid "MRG " and resid 233 and name HA ))
OR { 1216}
(( segid "MRG " and resid 232 and name HB1 ))
(( segid "MRG " and resid 233 and name HA ))
ASSI { 1227}
( segid "MRG " and resid 228 and name HE% )
( segid "MRG " and resid 233 and name HD2%)
2.800 1.000 1.000 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.39901E-02 ppm1 0.528 ppm2 1.678 CV 1
OR { 1227}
(( segid "MRG " and resid 232 and name HB2 ))
( segid "MRG " and resid 233 and name HD2%)
OR { 1227}
(( segid "MRG " and resid 232 and name HB1 ))
( segid "MRG " and resid 233 and name HD2%)
OR { 1227}
(( segid "MRG " and resid 265 and name HG2 ))
( segid "MRG " and resid 233 and name HD2%)
OR { 1227}
(( segid "MRG " and resid 265 and name HG1 ))
( segid "MRG " and resid 233 and name HD2%)
ASSI { 1230}
(( segid "MRG " and resid 233 and name HB1 ))
( segid "MRG " and resid 233 and name HD2%)
2.900 1.000 1.000 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.20392E-02 ppm1 0.527 ppm2 1.789 CV 1
OR { 1230}
(( segid "MRG " and resid 265 and name HB1 ))
( segid "MRG " and resid 233 and name HD2%)
ASSI { 1248}
(( segid "MRG " and resid 234 and name HB1 ))
( segid "MRG " and resid 234 and name HD1%)
2.900 1.100 1.100 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.48571E-02 ppm1 0.601 ppm2 1.408 CV 1
OR { 1248}
(( segid "MRG " and resid 245 and name HG12))
( segid "MRG " and resid 257 and name HG2%)
ASSI { 1251}
( segid "MRG " and resid 234 and name HD2%)
( segid "MRG " and resid 234 and name HD1%)
2.200 0.600 0.600 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.10598E-01 ppm1 0.620 ppm2 0.235 CV 1
OR { 1251}
(( segid "MRG " and resid 305 and name HB2 ))
( segid "MRG " and resid 305 and name HD1%)
ASSI { 1252}
(( segid "MRG " and resid 238 and name HB1 ))
( segid "MRG " and resid 234 and name HD1%)
4.000 2.000 2.000 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.52586E-03 ppm1 0.602 ppm2 2.753 CV 1
OR { 1252}
(( segid "MRG " and resid 235 and name HB2 ))
( segid "MRG " and resid 234 and name HD1%)
ASSI { 1253}
(( segid "MRG " and resid 242 and name HB1 ))
( segid "MRG " and resid 234 and name HD1%)
5.000 3.100 1.000 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.19589E-03 ppm1 0.601 ppm2 3.247 CV 1
OR { 1253}
(( segid "MRG " and resid 229 and name HA ))
( segid "MRG " and resid 234 and name HD1%)
ASSI { 1267}
(( segid "MRG " and resid 242 and name HB1 ))
( segid "MRG " and resid 234 and name HD2%)
3.500 1.600 1.600 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.13327E-02 ppm1 0.233 ppm2 3.226 CV 1
OR { 1267}
(( segid "MRG " and resid 239 and name HD2 ))
( segid "MRG " and resid 234 and name HD2%)
ASSI { 1279}
(( segid "MRG " and resid 236 and name HB1 ))
(( segid "MRG " and resid 236 and name HA ))
2.600 0.900 0.900 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.42149E-02 ppm1 3.978 ppm2 2.067 CV 1
OR { 1279}
(( segid "MRG " and resid 239 and name HG1 ))
(( segid "MRG " and resid 236 and name HA ))
ASSI { 1295}
(( segid "MRG " and resid 282 and name HB1 ))
(( segid "MRG " and resid 282 and name HG1 ))
2.200 0.600 0.600 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.11520E-01 ppm1 1.521 ppm2 1.918 CV 1
OR { 1295}
(( segid "MRG " and resid 236 and name HB2 ))
(( segid "MRG " and resid 236 and name HG1 ))
OR { 1295}
(( segid "MRG " and resid 236 and name HB2 ))
(( segid "MRG " and resid 236 and name HG2 ))
ASSI { 1298}
( segid "MRG " and resid 308 and name HB% )
(( segid "MRG " and resid 309 and name HA ))
4.500 2.500 1.500 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.20231E-03 ppm1 4.449 ppm2 1.528 CV 1
OR { 1298}
(( segid "MRG " and resid 245 and name HG11))
(( segid "MRG " and resid 242 and name HA ))
OR { 1298}
(( segid "MRG " and resid 240 and name HG2 ))
(( segid "MRG " and resid 237 and name HA ))
OR { 1298}
(( segid "MRG " and resid 236 and name HG1 ))
(( segid "MRG " and resid 237 and name HA ))
ASSI { 1313}
( segid "MRG " and resid 234 and name HD2%)
(( segid "MRG " and resid 239 and name HA ))
4.100 2.100 1.900 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.38817E-03 ppm1 4.254 ppm2 0.231 CV 1
OR { 1313}
(( segid "MRG " and resid 305 and name HB2 ))
(( segid "MRG " and resid 304 and name HA ))
ASSI { 1341}
(( segid "MRG " and resid 236 and name HA ))
(( segid "MRG " and resid 239 and name HG2 ))
2.400 0.700 0.700 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.63426E-02 ppm1 1.592 ppm2 3.991 CV 1
OR { 1341}
(( segid "MRG " and resid 300 and name HA ))
(( segid "MRG " and resid 300 and name HD1 ))
OR { 1341}
(( segid "MRG " and resid 300 and name HA ))
(( segid "MRG " and resid 300 and name HD2 ))
OR { 1341}
(( segid "MRG " and resid 187 and name HA ))
(( segid "MRG " and resid 187 and name HD1 ))
ASSI { 1349}
(( segid "MRG " and resid 241 and name HB2 ))
(( segid "MRG " and resid 241 and name HA ))
2.500 0.800 0.800 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.35365E-02 ppm1 4.212 ppm2 2.154 CV 1
OR { 1349}
(( segid "MRG " and resid 244 and name HB1 ))
(( segid "MRG " and resid 241 and name HA ))
OR { 1349}
(( segid "MRG " and resid 241 and name HB1 ))
(( segid "MRG " and resid 241 and name HA ))
OR { 1349}
(( segid "MRG " and resid 244 and name HB2 ))
(( segid "MRG " and resid 241 and name HA ))
ASSI { 1351}
(( segid "MRG " and resid 183 and name HB2 ))
(( segid "MRG " and resid 241 and name HA ))
4.100 2.200 1.900 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.66637E-03 ppm1 4.214 ppm2 2.425 CV 1
OR { 1351}
(( segid "MRG " and resid 244 and name HG1 ))
(( segid "MRG " and resid 241 and name HA ))
ASSI { 1360}
(( segid "MRG " and resid 242 and name HA ))
(( segid "MRG " and resid 242 and name HB1 ))
3.800 1.800 1.800 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.43754E-03 ppm1 3.248 ppm2 4.449 CV 1
OR { 1360}
(( segid "MRG " and resid 290 and name HA ))
(( segid "MRG " and resid 290 and name HB1 ))
ASSI { 1392}
(( segid "MRG " and resid 248 and name HB2 ))
(( segid "MRG " and resid 245 and name HA ))
4.200 2.200 1.800 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.18345E-03 ppm1 3.966 ppm2 2.172 CV 1
OR { 1392}
(( segid "MRG " and resid 244 and name HG2 ))
(( segid "MRG " and resid 245 and name HA ))
ASSI { 1397}
( segid "MRG " and resid 245 and name HD1%)
(( segid "MRG " and resid 245 and name HB ))
3.500 1.500 1.500 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.23242E-02 ppm1 2.312 ppm2 0.630 CV 1
OR { 1397}
( segid "MRG " and resid 257 and name HG2%)
(( segid "MRG " and resid 245 and name HB ))
ASSI { 1403}
(( segid "MRG " and resid 183 and name HA ))
(( segid "MRG " and resid 245 and name HG11))
4.900 3.100 1.100 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.15334E-03 ppm1 1.508 ppm2 3.960 CV 1
OR { 1403}
(( segid "MRG " and resid 245 and name HA ))
(( segid "MRG " and resid 245 and name HG11))
ASSI { 1409}
(( segid "MRG " and resid 245 and name HA ))
(( segid "MRG " and resid 245 and name HG12))
4.200 2.200 1.800 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.22680E-03 ppm1 1.412 ppm2 3.961 CV 1
OR { 1409}
(( segid "MRG " and resid 183 and name HA ))
(( segid "MRG " and resid 245 and name HG12))
ASSI { 1415}
(( segid "MRG " and resid 244 and name HG2 ))
( segid "MRG " and resid 245 and name HD1%)
3.100 1.200 1.200 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.24888E-02 ppm1 0.646 ppm2 2.149 CV 1
OR { 1415}
(( segid "MRG " and resid 244 and name HB1 ))
( segid "MRG " and resid 245 and name HD1%)
OR { 1415}
(( segid "MRG " and resid 185 and name HB1 ))
( segid "MRG " and resid 245 and name HD1%)
OR { 1415}
(( segid "MRG " and resid 248 and name HB2 ))
( segid "MRG " and resid 245 and name HD1%)
OR { 1415}
(( segid "MRG " and resid 244 and name HB2 ))
( segid "MRG " and resid 245 and name HD1%)
ASSI { 1431}
(( segid "MRG " and resid 248 and name HB1 ))
( segid "MRG " and resid 245 and name HD1%)
4.200 2.200 1.800 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.70651E-03 ppm1 0.645 ppm2 2.506 CV 1
OR { 1431}
(( segid "MRG " and resid 241 and name HG1 ))
( segid "MRG " and resid 245 and name HD1%)
OR { 1431}
(( segid "MRG " and resid 241 and name HG2 ))
( segid "MRG " and resid 245 and name HD1%)
ASSI { 1436}
(( segid "MRG " and resid 242 and name HA ))
( segid "MRG " and resid 245 and name HG2%)
4.400 2.400 1.600 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.56999E-03 ppm1 0.942 ppm2 4.449 CV 1
OR { 1436}
(( segid "MRG " and resid 184 and name HA ))
( segid "MRG " and resid 245 and name HG2%)
ASSI { 1437}
(( segid "MRG " and resid 245 and name HA ))
( segid "MRG " and resid 245 and name HG2%)
2.800 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.30227E-02 ppm1 0.942 ppm2 3.961 CV 1
OR { 1437}
(( segid "MRG " and resid 257 and name HA ))
( segid "MRG " and resid 245 and name HG2%)
ASSI { 1441}
( segid "MRG " and resid 245 and name HD1%)
( segid "MRG " and resid 245 and name HG2%)
2.100 0.500 0.500 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.12444E-01 ppm1 0.942 ppm2 0.620 CV 1
OR { 1441}
( segid "MRG " and resid 257 and name HG2%)
( segid "MRG " and resid 245 and name HG2%)
ASSI { 1446}
( segid "MRG " and resid 252 and name HB% )
( segid "MRG " and resid 245 and name HG2%)
2.800 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.35204E-02 ppm1 0.943 ppm2 1.235 CV 1
OR { 1446}
(( segid "MRG " and resid 246 and name HB2 ))
( segid "MRG " and resid 245 and name HG2%)
ASSI { 1447}
( segid "MRG " and resid 254 and name HE% )
( segid "MRG " and resid 245 and name HG2%)
2.700 0.900 0.900 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.36368E-02 ppm1 0.943 ppm2 2.188 CV 1
OR { 1447}
(( segid "MRG " and resid 185 and name HB1 ))
( segid "MRG " and resid 245 and name HG2%)
ASSI { 1478}
(( segid "MRG " and resid 250 and name HA ))
( segid "MRG " and resid 246 and name HD1%)
3.400 1.500 1.500 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.61417E-03 ppm1 0.594 ppm2 4.426 CV 1
OR { 1478}
(( segid "MRG " and resid 242 and name HA ))
( segid "MRG " and resid 246 and name HD1%)
ASSI { 1486}
(( segid "MRG " and resid 246 and name HA ))
( segid "MRG " and resid 246 and name HD2%)
2.500 0.800 0.800 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.97943E-02 ppm1 0.691 ppm2 3.765 CV 1
OR { 1486}
(( segid "MRG " and resid 288 and name HA ))
( segid "MRG " and resid 288 and name HD2%)
ASSI { 1495}
(( segid "MRG " and resid 245 and name HA ))
(( segid "MRG " and resid 248 and name HB1 ))
5.100 3.200 0.900 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.29665E-03 ppm1 2.506 ppm2 3.964 CV 1
OR { 1495}
(( segid "MRG " and resid 247 and name HA ))
(( segid "MRG " and resid 248 and name HB1 ))
ASSI { 1547}
(( segid "MRG " and resid 185 and name HB1 ))
( segid "MRG " and resid 252 and name HB% )
3.400 1.400 1.400 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.89916E-03 ppm1 1.228 ppm2 2.183 CV 1
OR { 1547}
( segid "MRG " and resid 254 and name HE% )
( segid "MRG " and resid 252 and name HB% )
ASSI { 1548}
(( segid "MRG " and resid 257 and name HB ))
( segid "MRG " and resid 252 and name HB% )
3.600 1.600 1.600 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.55393E-03 ppm1 1.230 ppm2 2.274 CV 1
OR { 1548}
(( segid "MRG " and resid 256 and name HB1 ))
( segid "MRG " and resid 252 and name HB% )
ASSI { 1549}
(( segid "MRG " and resid 256 and name HB2 ))
( segid "MRG " and resid 252 and name HB% )
4.000 2.000 2.000 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.83096E-03 ppm1 1.230 ppm2 2.127 CV 1
OR { 1549}
(( segid "MRG " and resid 185 and name HB2 ))
( segid "MRG " and resid 252 and name HB% )
ASSI { 1552}
( segid "MRG " and resid 257 and name HG2%)
( segid "MRG " and resid 252 and name HB% )
3.300 1.400 1.400 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.56196E-03 ppm1 1.231 ppm2 0.616 CV 1
OR { 1552}
( segid "MRG " and resid 246 and name HD1%)
( segid "MRG " and resid 252 and name HB% )
ASSI { 1557}
(( segid "MRG " and resid 253 and name HD2 ))
(( segid "MRG " and resid 253 and name HB1 ))
4.400 2.400 1.600 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.37211E-03 ppm1 2.333 ppm2 3.558 CV 1
OR { 1557}
(( segid "MRG " and resid 270 and name HA ))
(( segid "MRG " and resid 273 and name HG2 ))
ASSI { 1571}
(( segid "MRG " and resid 253 and name HA ))
(( segid "MRG " and resid 253 and name HG2 ))
3.200 1.300 1.300 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.40543E-02 ppm1 2.054 ppm2 4.599 CV 1
OR { 1571}
(( segid "MRG " and resid 253 and name HA ))
(( segid "MRG " and resid 253 and name HG1 ))
OR { 1571}
(( segid "MRG " and resid 252 and name HA ))
(( segid "MRG " and resid 253 and name HG2 ))
OR { 1571}
(( segid "MRG " and resid 252 and name HA ))
(( segid "MRG " and resid 253 and name HG1 ))
ASSI { 1573}
(( segid "MRG " and resid 253 and name HD1 ))
(( segid "MRG " and resid 253 and name HG1 ))
2.400 0.700 0.700 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.71049E-02 ppm1 2.059 ppm2 3.916 CV 1
OR { 1573}
(( segid "MRG " and resid 315 and name HD1 ))
(( segid "MRG " and resid 315 and name HG2 ))
OR { 1573}
(( segid "MRG " and resid 316 and name HD1 ))
(( segid "MRG " and resid 316 and name HG2 ))
OR { 1573}
(( segid "MRG " and resid 253 and name HD1 ))
(( segid "MRG " and resid 253 and name HG2 ))
ASSI { 1574}
(( segid "MRG " and resid 253 and name HD2 ))
(( segid "MRG " and resid 253 and name HG2 ))
2.400 0.700 0.700 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.43754E-02 ppm1 2.050 ppm2 3.562 CV 1
OR { 1574}
(( segid "MRG " and resid 179 and name HA ))
(( segid "MRG " and resid 179 and name HB1 ))
OR { 1574}
(( segid "MRG " and resid 253 and name HD2 ))
(( segid "MRG " and resid 253 and name HG1 ))
ASSI { 1576}
(( segid "MRG " and resid 257 and name HB ))
(( segid "MRG " and resid 254 and name HA ))
3.500 1.600 1.600 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.77875E-03 ppm1 4.910 ppm2 2.262 CV 1
OR { 1576}
(( segid "MRG " and resid 256 and name HB1 ))
(( segid "MRG " and resid 254 and name HA ))
ASSI { 1586}
(( segid "MRG " and resid 246 and name HB2 ))
( segid "MRG " and resid 254 and name HE% )
2.900 1.100 1.100 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.28059E-02 ppm1 2.185 ppm2 1.234 CV 1
OR { 1586}
(( segid "MRG " and resid 246 and name HG ))
( segid "MRG " and resid 254 and name HE% )
OR { 1586}
( segid "MRG " and resid 252 and name HB% )
( segid "MRG " and resid 254 and name HE% )
ASSI { 1597}
(( segid "MRG " and resid 252 and name HA ))
(( segid "MRG " and resid 256 and name HB1 ))
4.200 2.200 1.800 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.50980E-03 ppm1 2.275 ppm2 4.613 CV 1
OR { 1597}
(( segid "MRG " and resid 253 and name HA ))
(( segid "MRG " and resid 256 and name HB1 ))
ASSI { 1612}
(( segid "MRG " and resid 257 and name HA ))
(( segid "MRG " and resid 256 and name HG1 ))
4.500 2.500 1.500 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.24005E-03 ppm1 2.408 ppm2 3.927 CV 1
OR { 1612}
(( segid "MRG " and resid 253 and name HD1 ))
(( segid "MRG " and resid 256 and name HG1 ))
OR { 1612}
(( segid "MRG " and resid 253 and name HD1 ))
(( segid "MRG " and resid 256 and name HG2 ))
OR { 1612}
(( segid "MRG " and resid 257 and name HA ))
(( segid "MRG " and resid 256 and name HG2 ))
ASSI { 1619}
( segid "MRG " and resid 257 and name HG2%)
(( segid "MRG " and resid 256 and name HG1 ))
3.800 1.800 1.800 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.19991E-03 ppm1 2.406 ppm2 0.616 CV 1
OR { 1619}
( segid "MRG " and resid 257 and name HG2%)
(( segid "MRG " and resid 256 and name HG2 ))
OR { 1619}
(( segid "MRG " and resid 184 and name HB2 ))
(( segid "MRG " and resid 256 and name HG2 ))
ASSI { 1632}
( segid "MRG " and resid 252 and name HB% )
( segid "MRG " and resid 257 and name HG1%)
2.900 1.000 1.000 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.39540E-02 ppm1 0.804 ppm2 1.231 CV 1
OR { 1632}
(( segid "MBD " and resid 107 and name HB2 ))
( segid "MRG " and resid 176 and name HG2%)
OR { 1632}
(( segid "MRG " and resid 246 and name HB2 ))
( segid "MRG " and resid 257 and name HG1%)
ASSI { 1647}
(( segid "MRG " and resid 185 and name HB1 ))
( segid "MRG " and resid 257 and name HG2%)
3.000 1.100 1.100 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.36208E-02 ppm1 0.610 ppm2 2.165 CV 1
OR { 1647}
( segid "MRG " and resid 254 and name HE% )
( segid "MRG " and resid 257 and name HG2%)
ASSI { 1650}
( segid "MRG " and resid 257 and name HG1%)
( segid "MRG " and resid 257 and name HG2%)
1.900 0.500 0.500 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.26293E-01 ppm1 0.615 ppm2 0.801 CV 1
OR { 1650}
(( segid "MRG " and resid 270 and name HG12))
( segid "MRG " and resid 274 and name HD1%)
ASSI { 1653}
(( segid "MRG " and resid 258 and name HB1 ))
(( segid "MRG " and resid 258 and name HA ))
3.300 1.400 1.400 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.66233E-03 ppm1 4.113 ppm2 2.943 CV 1
OR { 1653}
(( segid "MRG " and resid 262 and name HB2 ))
(( segid "MRG " and resid 258 and name HA ))
ASSI { 1671}
( segid "MRG " and resid 305 and name HD2%)
( segid "MRG " and resid 260 and name HB% )
2.600 0.900 0.900 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.39138E-02 ppm1 0.936 ppm2 0.539 CV 1
OR { 1671}
( segid "MRG " and resid 298 and name HD2%)
( segid "MRG " and resid 260 and name HB% )
ASSI { 1684}
( segid "MRG " and resid 263 and name HD2%)
(( segid "MRG " and resid 263 and name HA ))
3.000 1.200 1.200 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.22640E-02 ppm1 4.067 ppm2 0.844 CV 1
OR { 1684}
( segid "MRG " and resid 214 and name HG2%)
(( segid "MRG " and resid 211 and name HA ))
ASSI { 1694}
( segid "MRG " and resid 295 and name HD2%)
(( segid "MRG " and resid 295 and name HG ))
2.700 0.900 0.900 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.26092E-02 ppm1 1.082 ppm2 0.152 CV 1
OR { 1694}
( segid "MRG " and resid 190 and name HG2%)
( segid "MRG " and resid 263 and name HD1%)
ASSI { 1696}
( segid "MRG " and resid 193 and name HD1%)
( segid "MRG " and resid 263 and name HD1%)
2.700 0.900 0.900 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.28260E-02 ppm1 1.086 ppm2 0.625 CV 1
OR { 1696}
( segid "MRG " and resid 298 and name HD1%)
( segid "MRG " and resid 263 and name HD1%)
ASSI { 1704}
(( segid "MRG " and resid 267 and name HZ ))
( segid "MRG " and resid 263 and name HD1%)
4.200 2.200 1.800 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.35485E-03 ppm1 1.085 ppm2 -0.910 CV 1
OR { 1704}
(( segid "MRG " and resid 267 and name HZ ))
(( segid "MRG " and resid 295 and name HG ))
ASSI { 1707}
( segid "MRG " and resid 221 and name HG2%)
( segid "MRG " and resid 263 and name HD1%)
2.600 0.800 0.800 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.44156E-02 ppm1 1.085 ppm2 0.560 CV 1
OR { 1707}
( segid "MRG " and resid 194 and name HD2%)
( segid "MRG " and resid 263 and name HD1%)
ASSI { 1711}
( segid "MRG " and resid 221 and name HG2%)
( segid "MRG " and resid 263 and name HD2%)
2.100 0.500 0.500 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.16137E-01 ppm1 0.831 ppm2 0.545 CV 1
OR { 1711}
( segid "MRG " and resid 194 and name HD2%)
( segid "MRG " and resid 263 and name HD2%)
OR { 1711}
( segid "MRG " and resid 274 and name HD2%)
( segid "MRG " and resid 156 and name HG2%)
ASSI { 1729}
(( segid "MRG " and resid 265 and name HB2 ))
(( segid "MRG " and resid 265 and name HA ))
3.100 1.200 1.200 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.13970E-02 ppm1 3.705 ppm2 1.039 CV 1
OR { 1729}
( segid "MRG " and resid 268 and name HG2%)
(( segid "MRG " and resid 265 and name HA ))
ASSI { 1742}
(( segid "MRG " and resid 225 and name HB2 ))
( segid "MRG " and resid 266 and name HD1%)
4.300 2.300 1.700 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.21355E-03 ppm1 0.797 ppm2 2.933 CV 1
OR { 1742}
(( segid "MRG " and resid 224 and name HB1 ))
( segid "MRG " and resid 266 and name HD1%)
ASSI { 1746}
(( segid "MRG " and resid 225 and name HB2 ))
( segid "MRG " and resid 266 and name HD2%)
3.900 1.900 1.900 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.33800E-03 ppm1 0.606 ppm2 2.938 CV 1
OR { 1746}
(( segid "MRG " and resid 224 and name HB1 ))
( segid "MRG " and resid 266 and name HD2%)
ASSI { 1759}
( segid "MRG " and resid 217 and name HG2%)
(( segid "MRG " and resid 290 and name HB2 ))
3.100 1.200 1.200 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.15374E-02 ppm1 3.129 ppm2 0.706 CV 1
OR { 1759}
( segid "MRG " and resid 295 and name HD1%)
(( segid "MRG " and resid 267 and name HB1 ))
OR { 1759}
( segid "MRG " and resid 160 and name HD1%)
(( segid "MRG " and resid 267 and name HB1 ))
OR { 1759}
( segid "MRG " and resid 270 and name HG2%)
(( segid "MRG " and resid 267 and name HB1 ))
OR { 1759}
( segid "MRG " and resid 295 and name HD1%)
(( segid "MRG " and resid 267 and name HB2 ))
ASSI { 1761}
( segid "MRG " and resid 160 and name HD1%)
(( segid "MRG " and resid 268 and name HA ))
3.500 1.600 1.600 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.63825E-03 ppm1 3.967 ppm2 0.703 CV 1
OR { 1761}
( segid "MRG " and resid 270 and name HG2%)
(( segid "MRG " and resid 268 and name HA ))
ASSI { 1772}
( segid "MRG " and resid 160 and name HD1%)
( segid "MRG " and resid 268 and name HG1%)
3.300 1.400 1.400 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.16097E-02 ppm1 1.174 ppm2 0.705 CV 1
OR { 1772}
( segid "MBD " and resid 111 and name HG2%)
( segid "MRG " and resid 268 and name HG1%)
ASSI { 1773}
( segid "MRG " and resid 168 and name HD2%)
( segid "MRG " and resid 268 and name HG1%)
2.600 0.900 0.900 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.45762E-02 ppm1 1.173 ppm2 0.854 CV 1
OR { 1773}
( segid "MBD " and resid 111 and name HD1%)
( segid "MRG " and resid 268 and name HG1%)
ASSI { 1774}
(( segid "MRG " and resid 265 and name HB1 ))
( segid "MRG " and resid 268 and name HG1%)
4.500 2.500 1.500 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.37372E-03 ppm1 1.176 ppm2 1.750 CV 1
OR { 1774}
(( segid "MRG " and resid 168 and name HG ))
( segid "MRG " and resid 268 and name HG1%)
OR { 1774}
(( segid "MBD " and resid 111 and name HB ))
( segid "MRG " and resid 268 and name HG1%)
OR { 1774}
(( segid "MBD " and resid 108 and name HB2 ))
( segid "MRG " and resid 268 and name HG1%)
ASSI { 1775}
( segid "MRG " and resid 168 and name HD1%)
( segid "MRG " and resid 268 and name HG1%)
2.400 0.700 0.700 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.77471E-02 ppm1 1.173 ppm2 0.998 CV 1
OR { 1775}
( segid "MBD " and resid 107 and name HD1%)
( segid "MRG " and resid 268 and name HG1%)
ASSI { 1781}
(( segid "MBD " and resid 116 and name HD1 ))
( segid "MRG " and resid 169 and name HG1%)
5.100 3.200 0.900 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.99150E-04 ppm1 1.062 ppm2 3.115 CV 1
OR { 1781}
(( segid "MBD " and resid 116 and name HD2 ))
( segid "MRG " and resid 169 and name HG1%)
OR { 1781}
(( segid "MRG " and resid 267 and name HB2 ))
( segid "MRG " and resid 268 and name HG2%)
ASSI { 1782}
(( segid "MBD " and resid 107 and name HA ))
( segid "MRG " and resid 268 and name HG2%)
3.100 1.200 1.200 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.28621E-02 ppm1 1.057 ppm2 4.251 CV 1
OR { 1782}
(( segid "MBD " and resid 107 and name HA ))
( segid "MRG " and resid 169 and name HG1%)
ASSI { 1789}
(( segid "MRG " and resid 169 and name HA ))
( segid "MRG " and resid 169 and name HG1%)
2.500 0.800 0.800 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.44959E-02 ppm1 1.058 ppm2 3.690 CV 1
OR { 1789}
(( segid "MRG " and resid 265 and name HA ))
( segid "MRG " and resid 268 and name HG2%)
ASSI { 1792}
(( segid "MBD " and resid 108 and name HD2 ))
( segid "MRG " and resid 268 and name HG2%)
3.100 1.200 1.200 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.21717E-02 ppm1 1.057 ppm2 3.348 CV 1
OR { 1792}
(( segid "MRG " and resid 173 and name HA ))
( segid "MRG " and resid 169 and name HG1%)
ASSI { 1798}
( segid "MRG " and resid 268 and name HG2%)
(( segid "MRG " and resid 269 and name HD1 ))
5.400 3.600 0.600 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.12243E-03 ppm1 3.346 ppm2 1.056 CV 1
OR { 1798}
(( segid "MRG " and resid 265 and name HB2 ))
(( segid "MRG " and resid 269 and name HD1 ))
ASSI { 1805}
( segid "MRG " and resid 268 and name HG2%)
(( segid "MRG " and resid 269 and name HD2 ))
6.000 4.700 0.000 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.53389E-04 ppm1 3.293 ppm2 1.056 CV 1
OR { 1805}
(( segid "MRG " and resid 265 and name HB2 ))
(( segid "MRG " and resid 269 and name HD2 ))
ASSI { 1814}
(( segid "MRG " and resid 270 and name HG12))
(( segid "MRG " and resid 270 and name HB ))
3.500 1.500 1.500 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.85902E-03 ppm1 1.590 ppm2 0.806 CV 1
OR { 1814}
( segid "MRG " and resid 266 and name HD1%)
(( segid "MRG " and resid 270 and name HB ))
ASSI { 1820}
( segid "MRG " and resid 224 and name HD% )
( segid "MRG " and resid 270 and name HD1%)
3.600 1.600 1.600 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.73862E-03 ppm1 0.232 ppm2 -1.045 CV 1
OR { 1820}
( segid "MBD " and resid 98 and name HE% )
( segid "MRG " and resid 270 and name HD1%)
ASSI { 1824}
(( segid "MRG " and resid 270 and name HB ))
( segid "MRG " and resid 270 and name HD1%)
2.500 0.800 0.800 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.45360E-02 ppm1 0.241 ppm2 1.590 CV 1
OR { 1824}
(( segid "MRG " and resid 221 and name HB ))
( segid "MRG " and resid 221 and name HD1%)
ASSI { 1827}
(( segid "MRG " and resid 274 and name HG ))
( segid "MRG " and resid 270 and name HD1%)
3.400 1.500 1.500 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.17301E-02 ppm1 0.235 ppm2 1.675 CV 1
OR { 1827}
( segid "MRG " and resid 228 and name HE% )
( segid "MRG " and resid 270 and name HD1%)
ASSI { 1830}
(( segid "MRG " and resid 270 and name HG12))
( segid "MRG " and resid 270 and name HG2%)
2.100 0.600 0.600 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.11039E-01 ppm1 0.726 ppm2 0.829 CV 1
OR { 1830}
( segid "MRG " and resid 291 and name HD1%)
( segid "MRG " and resid 270 and name HG2%)
ASSI { 1841}
( segid "MRG " and resid 274 and name HD2%)
( segid "MRG " and resid 270 and name HG2%)
2.500 0.800 0.800 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.28019E-02 ppm1 0.726 ppm2 0.527 CV 1
OR { 1841}
( segid "MRG " and resid 233 and name HD2%)
( segid "MRG " and resid 270 and name HG2%)
ASSI { 1843}
( segid "MRG " and resid 156 and name HG1%)
(( segid "MRG " and resid 271 and name HA1 ))
3.900 1.900 1.900 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.79082E-03 ppm1 4.039 ppm2 0.813 CV 1
OR { 1843}
(( segid "MRG " and resid 270 and name HG12))
(( segid "MRG " and resid 271 and name HA1 ))
OR { 1843}
( segid "MRG " and resid 156 and name HG2%)
(( segid "MRG " and resid 271 and name HA1 ))
ASSI { 1844}
( segid "MRG " and resid 270 and name HG2%)
(( segid "MRG " and resid 271 and name HA1 ))
3.600 1.600 1.600 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.92728E-03 ppm1 4.034 ppm2 0.729 CV 1
OR { 1844}
( segid "MRG " and resid 158 and name HG2%)
(( segid "MRG " and resid 271 and name HA1 ))
ASSI { 1846}
( segid "MRG " and resid 274 and name HD2%)
(( segid "MRG " and resid 271 and name HA1 ))
3.300 1.300 1.300 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.54591E-03 ppm1 4.035 ppm2 0.531 CV 1
OR { 1846}
( segid "MRG " and resid 233 and name HD2%)
(( segid "MRG " and resid 271 and name HA1 ))
ASSI { 1848}
( segid "MRG " and resid 158 and name HG2%)
(( segid "MRG " and resid 271 and name HA2 ))
3.800 1.800 1.800 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.54192E-03 ppm1 3.430 ppm2 0.727 CV 1
OR { 1848}
( segid "MRG " and resid 270 and name HG2%)
(( segid "MRG " and resid 271 and name HA2 ))
ASSI { 1875}
( segid "MRG " and resid 272 and name HB% )
( segid "MRG " and resid 273 and name HE% )
3.000 1.100 1.100 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.25089E-02 ppm1 1.902 ppm2 1.488 CV 1
OR { 1875}
(( segid "MRG " and resid 269 and name HB1 ))
( segid "MRG " and resid 273 and name HE% )
ASSI { 1881}
( segid "MRG " and resid 276 and name HE% )
( segid "MRG " and resid 273 and name HE% )
3.100 3.100 2.900 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.75063E-03 ppm1 1.900 ppm2 -1.147 CV 1
OR { 1881}
( segid "MBD " and resid 105 and name HD% )
( segid "MRG " and resid 273 and name HE% )
ASSI { 1886}
(( segid "MRG " and resid 302 and name HB2 ))
( segid "MRG " and resid 305 and name HD1%)
3.200 1.300 1.300 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.27015E-02 ppm1 0.641 ppm2 4.185 CV 1
OR { 1886}
(( segid "MRG " and resid 302 and name HB1 ))
( segid "MRG " and resid 305 and name HD1%)
OR { 1886}
(( segid "MRG " and resid 272 and name HA ))
( segid "MRG " and resid 274 and name HD1%)
ASSI { 1888}
( segid "MRG " and resid 270 and name HG2%)
( segid "MRG " and resid 274 and name HD2%)
2.300 0.700 0.700 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.13728E-01 ppm1 0.528 ppm2 0.722 CV 1
OR { 1888}
( segid "MRG " and resid 279 and name HD2%)
( segid "MRG " and resid 274 and name HD2%)
OR { 1888}
( segid "MRG " and resid 158 and name HG2%)
( segid "MRG " and resid 274 and name HD2%)
ASSI { 1894}
(( segid "MRG " and resid 270 and name HG12))
( segid "MRG " and resid 274 and name HD2%)
2.200 0.600 0.600 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.13327E-01 ppm1 0.530 ppm2 0.822 CV 1
OR { 1894}
( segid "MRG " and resid 156 and name HG1%)
( segid "MRG " and resid 274 and name HD2%)
OR { 1894}
( segid "MRG " and resid 284 and name HD1%)
( segid "MRG " and resid 274 and name HD2%)
ASSI { 1952}
(( segid "MRG " and resid 284 and name HG ))
(( segid "MRG " and resid 281 and name HA ))
4.700 2.800 1.300 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.28862E-03 ppm1 3.890 ppm2 1.541 CV 1
OR { 1952}
(( segid "MRG " and resid 282 and name HG1 ))
(( segid "MRG " and resid 281 and name HA ))
ASSI { 1957}
(( segid "MRG " and resid 281 and name HB1 ))
(( segid "MRG " and resid 281 and name HG2 ))
1.900 0.400 0.400 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.34722E-01 ppm1 2.281 ppm2 2.039 CV 1
OR { 1957}
(( segid "MRG " and resid 317 and name HB2 ))
(( segid "MRG " and resid 317 and name HG2 ))
OR { 1957}
(( segid "MRG " and resid 281 and name HB2 ))
(( segid "MRG " and resid 281 and name HG2 ))
OR { 1957}
(( segid "MRG " and resid 317 and name HB1 ))
(( segid "MRG " and resid 317 and name HG2 ))
ASSI { 1960}
(( segid "MRG " and resid 216 and name HG1 ))
(( segid "MRG " and resid 216 and name HB2 ))
1.900 0.500 0.500 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.23924E-01 ppm1 2.040 ppm2 2.280 CV 1
OR { 1960}
(( segid "MRG " and resid 281 and name HG2 ))
(( segid "MRG " and resid 281 and name HB1 ))
OR { 1960}
(( segid "MRG " and resid 216 and name HG1 ))
(( segid "MRG " and resid 216 and name HB1 ))
OR { 1960}
(( segid "MRG " and resid 216 and name HG2 ))
(( segid "MRG " and resid 216 and name HB2 ))
OR { 1960}
(( segid "MRG " and resid 281 and name HG2 ))
(( segid "MRG " and resid 281 and name HB2 ))
ASSI { 1962}
( segid "MRG " and resid 285 and name HB% )
(( segid "MRG " and resid 282 and name HA ))
2.600 0.800 0.800 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.50177E-02 ppm1 4.109 ppm2 1.500 CV 1
OR { 1962}
(( segid "MRG " and resid 282 and name HG1 ))
(( segid "MRG " and resid 282 and name HA ))
ASSI { 1964}
(( segid "MRG " and resid 282 and name HE1 ))
(( segid "MRG " and resid 282 and name HA ))
4.600 2.700 1.400 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.58604E-03 ppm1 4.112 ppm2 2.968 CV 1
OR { 1964}
(( segid "MRG " and resid 224 and name HB1 ))
(( segid "MRG " and resid 223 and name HA ))
OR { 1964}
(( segid "MRG " and resid 282 and name HE2 ))
(( segid "MRG " and resid 282 and name HA ))
ASSI { 1976}
(( segid "MRG " and resid 282 and name HG2 ))
(( segid "MRG " and resid 282 and name HG1 ))
1.400 0.200 0.800 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.40944E-01 ppm1 1.523 ppm2 1.405 CV 1
OR { 1976}
(( segid "MRG " and resid 202 and name HG2 ))
(( segid "MRG " and resid 202 and name HG1 ))
ASSI { 1981}
(( segid "MRG " and resid 282 and name HG1 ))
(( segid "MRG " and resid 282 and name HG2 ))
1.200 0.200 1.000 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.73862E-01 ppm1 1.406 ppm2 1.520 CV 1
OR { 1981}
(( segid "MRG " and resid 187 and name HG1 ))
(( segid "MRG " and resid 187 and name HG2 ))
OR { 1981}
(( segid "MRG " and resid 202 and name HG1 ))
(( segid "MRG " and resid 202 and name HG2 ))
ASSI { 1982}
(( segid "MRG " and resid 210 and name HD2 ))
(( segid "MRG " and resid 210 and name HG2 ))
1.800 0.400 0.400 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.30869E-01 ppm1 1.406 ppm2 1.671 CV 1
OR { 1982}
(( segid "MRG " and resid 210 and name HD1 ))
(( segid "MRG " and resid 210 and name HG1 ))
OR { 1982}
(( segid "MRG " and resid 282 and name HD2 ))
(( segid "MRG " and resid 282 and name HG2 ))
OR { 1982}
(( segid "MRG " and resid 210 and name HD2 ))
(( segid "MRG " and resid 210 and name HG1 ))
OR { 1982}
(( segid "MRG " and resid 210 and name HD1 ))
(( segid "MRG " and resid 210 and name HG2 ))
OR { 1982}
(( segid "MRG " and resid 187 and name HB2 ))
(( segid "MRG " and resid 187 and name HG2 ))
ASSI { 1984}
(( segid "MRG " and resid 282 and name HB1 ))
(( segid "MRG " and resid 282 and name HD1 ))
2.100 0.600 0.600 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.12966E-01 ppm1 1.671 ppm2 1.908 CV 1
OR { 1984}
(( segid "MRG " and resid 282 and name HB1 ))
(( segid "MRG " and resid 282 and name HD2 ))
OR { 1984}
(( segid "MRG " and resid 188 and name HB1 ))
(( segid "MRG " and resid 188 and name HD1 ))
ASSI { 1987}
(( segid "MRG " and resid 210 and name HG1 ))
(( segid "MRG " and resid 210 and name HD1 ))
1.700 0.300 0.500 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.50980E-01 ppm1 1.675 ppm2 1.412 CV 1
OR { 1987}
(( segid "MRG " and resid 282 and name HG2 ))
(( segid "MRG " and resid 282 and name HD1 ))
OR { 1987}
(( segid "MRG " and resid 282 and name HG2 ))
(( segid "MRG " and resid 282 and name HD2 ))
OR { 1987}
(( segid "MRG " and resid 210 and name HG1 ))
(( segid "MRG " and resid 210 and name HD2 ))
ASSI { 2008}
(( segid "MRG " and resid 281 and name HA ))
( segid "MRG " and resid 284 and name HD1%)
3.400 1.400 1.400 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.23282E-02 ppm1 0.845 ppm2 3.895 CV 1
OR { 2008}
(( segid "MRG " and resid 156 and name HA ))
( segid "MRG " and resid 284 and name HD1%)
ASSI { 2016}
(( segid "MRG " and resid 281 and name HA ))
( segid "MRG " and resid 284 and name HD2%)
2.900 2.900 3.100 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.31350E-02 ppm1 0.832 ppm2 3.892 CV 1
OR { 2016}
(( segid "MRG " and resid 156 and name HA ))
( segid "MRG " and resid 284 and name HD2%)
ASSI { 2031}
(( segid "MRG " and resid 286 and name HA ))
(( segid "MRG " and resid 286 and name HG ))
3.100 1.200 1.200 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.20192E-02 ppm1 1.667 ppm2 4.061 CV 1
OR { 2031}
(( segid "MRG " and resid 271 and name HA1 ))
(( segid "MRG " and resid 274 and name HG ))
ASSI { 2033}
( segid "MRG " and resid 290 and name HE% )
(( segid "MRG " and resid 286 and name HG ))
3.700 1.700 1.700 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.48571E-03 ppm1 1.668 ppm2 -1.310 CV 1
OR { 2033}
( segid "MBD " and resid 85 and name HE% )
(( segid "MRG " and resid 286 and name HG ))
ASSI { 2044}
( segid "MRG " and resid 288 and name HD2%)
(( segid "MRG " and resid 288 and name HA ))
2.900 1.000 1.000 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.45360E-02 ppm1 3.738 ppm2 0.688 CV 1
OR { 2044}
( segid "MRG " and resid 291 and name HD2%)
(( segid "MRG " and resid 288 and name HA ))
ASSI { 2061}
(( segid "MRG " and resid 285 and name HA ))
( segid "MRG " and resid 288 and name HD1%)
2.900 1.000 1.000 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.39499E-02 ppm1 0.795 ppm2 3.972 CV 1
OR { 2061}
(( segid "MRG " and resid 284 and name HA ))
( segid "MRG " and resid 288 and name HD1%)
OR { 2061}
(( segid "MRG " and resid 224 and name HA ))
( segid "MRG " and resid 266 and name HD1%)
ASSI { 2086}
(( segid "MRG " and resid 290 and name HB2 ))
(( segid "MRG " and resid 290 and name HA ))
2.900 1.100 1.100 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.27858E-02 ppm1 4.476 ppm2 3.143 CV 1
OR { 2086}
(( segid "MRG " and resid 293 and name HB1 ))
(( segid "MRG " and resid 290 and name HA ))
ASSI { 2096}
( segid "MRG " and resid 291 and name HD2%)
(( segid "MRG " and resid 291 and name HB1 ))
2.800 1.000 1.000 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.26453E-02 ppm1 1.970 ppm2 0.710 CV 1
OR { 2096}
( segid "MRG " and resid 194 and name HD1%)
(( segid "MRG " and resid 194 and name HB1 ))
ASSI { 2115}
( segid "MRG " and resid 267 and name HD% )
( segid "MRG " and resid 295 and name HD1%)
3.900 1.900 1.900 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.37010E-03 ppm1 0.707 ppm2 -0.487 CV 1
OR { 2115}
( segid "MRG " and resid 267 and name HD% )
( segid "MRG " and resid 291 and name HD2%)
ASSI { 2116}
( segid "MRG " and resid 267 and name HE% )
( segid "MRG " and resid 291 and name HD2%)
4.900 3.000 1.100 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.14050E-03 ppm1 0.706 ppm2 -0.751 CV 1
OR { 2116}
( segid "MRG " and resid 267 and name HE% )
( segid "MRG " and resid 295 and name HD1%)
ASSI { 2119}
(( segid "MRG " and resid 291 and name HA ))
( segid "MRG " and resid 291 and name HD2%)
3.000 1.100 1.100 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.28541E-02 ppm1 0.707 ppm2 4.144 CV 1
OR { 2119}
(( segid "MRG " and resid 160 and name HA ))
( segid "MRG " and resid 295 and name HD1%)
ASSI { 2134}
(( segid "MRG " and resid 212 and name HB1 ))
(( segid "MRG " and resid 212 and name HA ))
2.400 0.700 0.700 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.56999E-02 ppm1 4.414 ppm2 2.989 CV 1
OR { 2134}
(( segid "MRG " and resid 296 and name HE2 ))
(( segid "MRG " and resid 293 and name HA ))
ASSI { 2144}
(( segid "MRG " and resid 297 and name HB2 ))
(( segid "MRG " and resid 294 and name HA ))
3.800 1.800 1.800 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.67036E-03 ppm1 3.884 ppm2 3.126 CV 1
OR { 2144}
(( segid "MRG " and resid 293 and name HB1 ))
(( segid "MRG " and resid 294 and name HA ))
ASSI { 2148}
(( segid "MRG " and resid 298 and name HB2 ))
(( segid "MRG " and resid 298 and name HA ))
3.200 1.300 1.300 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.11721E-02 ppm1 3.408 ppm2 1.148 CV 1
OR { 2148}
(( segid "MRG " and resid 298 and name HB2 ))
(( segid "MRG " and resid 295 and name HA ))
OR { 2148}
(( segid "MRG " and resid 298 and name HG ))
(( segid "MRG " and resid 298 and name HA ))
ASSI { 2155}
(( segid "MRG " and resid 292 and name HA ))
( segid "MRG " and resid 295 and name HD1%)
3.200 1.300 1.300 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.15254E-02 ppm1 0.708 ppm2 4.343 CV 1
OR { 2155}
(( segid "MRG " and resid 264 and name HA ))
( segid "MRG " and resid 295 and name HD1%)
ASSI { 2158}
(( segid "MRG " and resid 161 and name HD1 ))
( segid "MRG " and resid 295 and name HD1%)
4.100 2.100 1.900 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.33800E-03 ppm1 0.714 ppm2 3.396 CV 1
OR { 2158}
(( segid "MRG " and resid 161 and name HD2 ))
( segid "MRG " and resid 295 and name HD1%)
OR { 2158}
(( segid "MRG " and resid 295 and name HA ))
( segid "MRG " and resid 295 and name HD1%)
ASSI { 2161}
(( segid "MRG " and resid 160 and name HA ))
( segid "MRG " and resid 295 and name HD2%)
4.200 2.200 1.800 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.50177E-03 ppm1 0.148 ppm2 4.160 CV 1
OR { 2161}
(( segid "MRG " and resid 291 and name HA ))
( segid "MRG " and resid 295 and name HD2%)
ASSI { 2162}
( segid "MRG " and resid 164 and name HD1%)
( segid "MRG " and resid 295 and name HD2%)
2.600 0.900 0.900 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.52184E-02 ppm1 0.147 ppm2 0.815 CV 1
OR { 2162}
( segid "MRG " and resid 160 and name HG2%)
( segid "MRG " and resid 295 and name HD2%)
ASSI { 2164}
( segid "MRG " and resid 298 and name HD1%)
( segid "MRG " and resid 295 and name HD2%)
2.300 0.600 0.600 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.73059E-02 ppm1 0.147 ppm2 0.587 CV 1
OR { 2164}
( segid "MRG " and resid 164 and name HD2%)
( segid "MRG " and resid 295 and name HD2%)
ASSI { 2168}
(( segid "MRG " and resid 295 and name HA ))
( segid "MRG " and resid 295 and name HD2%)
2.700 0.900 0.900 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.31230E-02 ppm1 0.145 ppm2 3.395 CV 1
OR { 2168}
(( segid "MRG " and resid 161 and name HD1 ))
( segid "MRG " and resid 295 and name HD2%)
ASSI { 2177}
( segid "MRG " and resid 299 and name HB% )
(( segid "MRG " and resid 296 and name HA ))
2.500 0.800 0.800 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.51783E-02 ppm1 3.881 ppm2 1.386 CV 1
OR { 2177}
(( segid "MRG " and resid 296 and name HG2 ))
(( segid "MRG " and resid 296 and name HA ))
ASSI { 2183}
(( segid "MRG " and resid 318 and name HA ))
(( segid "MRG " and resid 321 and name HG1 ))
2.600 0.800 0.800 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.34281E-02 ppm1 1.355 ppm2 3.890 CV 1
OR { 2183}
(( segid "MRG " and resid 296 and name HA ))
(( segid "MRG " and resid 296 and name HG2 ))
OR { 2183}
(( segid "MRG " and resid 318 and name HA ))
(( segid "MRG " and resid 321 and name HG2 ))
ASSI { 2184}
(( segid "MRG " and resid 296 and name HG1 ))
(( segid "MRG " and resid 296 and name HG2 ))
1.500 0.300 0.700 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.45762E-01 ppm1 1.371 ppm2 1.575 CV 1
OR { 2184}
(( segid "MRG " and resid 187 and name HD2 ))
(( segid "MRG " and resid 187 and name HG2 ))
OR { 2184}
(( segid "MRG " and resid 187 and name HD1 ))
(( segid "MRG " and resid 187 and name HG2 ))
OR { 2184}
(( segid "MRG " and resid 321 and name HD1 ))
(( segid "MRG " and resid 321 and name HG2 ))
ASSI { 2188}
(( segid "MRG " and resid 296 and name HA ))
(( segid "MRG " and resid 296 and name HB1 ))
2.400 0.700 0.700 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.60614E-02 ppm1 2.009 ppm2 3.900 CV 1
OR { 2188}
(( segid "MRG " and resid 156 and name HA ))
(( segid "MRG " and resid 156 and name HB ))
OR { 2188}
(( segid "MRG " and resid 296 and name HA ))
(( segid "MRG " and resid 296 and name HB2 ))
ASSI { 2208}
(( segid "MRG " and resid 297 and name HA ))
(( segid "MRG " and resid 297 and name HB1 ))
3.900 1.900 1.900 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.42149E-03 ppm1 3.245 ppm2 3.889 CV 1
OR { 2208}
(( segid "MRG " and resid 294 and name HA ))
(( segid "MRG " and resid 297 and name HB1 ))
ASSI { 2227}
(( segid "MRG " and resid 298 and name HA ))
( segid "MRG " and resid 298 and name HD1%)
3.200 1.300 1.300 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.17823E-02 ppm1 0.611 ppm2 3.408 CV 1
OR { 2227}
(( segid "MRG " and resid 295 and name HA ))
( segid "MRG " and resid 298 and name HD1%)
ASSI { 2229}
( segid "MRG " and resid 263 and name HD1%)
( segid "MRG " and resid 298 and name HD1%)
2.800 1.000 1.000 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.40142E-02 ppm1 0.610 ppm2 1.085 CV 1
OR { 2229}
(( segid "MRG " and resid 295 and name HG ))
( segid "MRG " and resid 298 and name HD1%)
ASSI { 2232}
( segid "MRG " and resid 295 and name HD2%)
( segid "MRG " and resid 298 and name HD1%)
2.500 0.800 0.800 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.28741E-02 ppm1 0.614 ppm2 0.149 CV 1
OR { 2232}
( segid "MRG " and resid 190 and name HG2%)
( segid "MRG " and resid 298 and name HD1%)
ASSI { 2237}
( segid "MRG " and resid 263 and name HD1%)
( segid "MRG " and resid 194 and name HD2%)
2.600 0.900 0.900 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.49375E-02 ppm1 0.560 ppm2 1.085 CV 1
OR { 2237}
( segid "MRG " and resid 263 and name HD1%)
( segid "MRG " and resid 298 and name HD2%)
ASSI { 2243}
(( segid "MRG " and resid 298 and name HA ))
( segid "MRG " and resid 298 and name HD2%)
2.800 1.000 1.000 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.40061E-02 ppm1 0.561 ppm2 3.423 CV 1
OR { 2243}
(( segid "MRG " and resid 295 and name HA ))
( segid "MRG " and resid 298 and name HD2%)
ASSI { 2250}
( segid "MRG " and resid 164 and name HD2%)
( segid "MRG " and resid 299 and name HB% )
3.200 1.200 1.200 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.19027E-02 ppm1 1.388 ppm2 0.578 CV 1
OR { 2250}
( segid "MBD " and resid 77 and name HD1%)
( segid "MRG " and resid 219 and name HB% )
ASSI { 2251}
(( segid "MRG " and resid 296 and name HA ))
( segid "MRG " and resid 299 and name HB% )
2.400 0.700 0.700 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.77072E-02 ppm1 1.388 ppm2 3.879 CV 1
OR { 2251}
(( segid "MBD " and resid 77 and name HA ))
( segid "MRG " and resid 219 and name HB% )
ASSI { 2254}
(( segid "MRG " and resid 300 and name HG2 ))
(( segid "MRG " and resid 300 and name HA ))
2.500 0.800 0.800 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.57802E-02 ppm1 3.997 ppm2 1.371 CV 1
OR { 2254}
(( segid "MRG " and resid 187 and name HG2 ))
(( segid "MRG " and resid 187 and name HA ))
ASSI { 2256}
(( segid "MRG " and resid 187 and name HA ))
(( segid "MRG " and resid 187 and name HB1 ))
2.200 0.600 0.600 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.97545E-02 ppm1 1.773 ppm2 3.996 CV 1
OR { 2256}
(( segid "MRG " and resid 300 and name HA ))
(( segid "MRG " and resid 300 and name HB1 ))
ASSI { 2257}
(( segid "MRG " and resid 300 and name HB2 ))
(( segid "MRG " and resid 300 and name HB1 ))
1.400 0.200 0.800 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.53389E-01 ppm1 1.776 ppm2 1.664 CV 1
OR { 2257}
(( segid "MRG " and resid 187 and name HB2 ))
(( segid "MRG " and resid 187 and name HB1 ))
ASSI { 2259}
(( segid "MRG " and resid 222 and name HG2 ))
(( segid "MRG " and resid 222 and name HB2 ))
2.000 0.500 0.500 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.15535E-01 ppm1 1.771 ppm2 1.371 CV 1
OR { 2259}
(( segid "MRG " and resid 187 and name HG2 ))
(( segid "MRG " and resid 187 and name HB1 ))
OR { 2259}
(( segid "MRG " and resid 300 and name HG2 ))
(( segid "MRG " and resid 300 and name HB1 ))
OR { 2259}
(( segid "MRG " and resid 222 and name HG1 ))
(( segid "MRG " and resid 222 and name HB2 ))
ASSI { 2274}
(( segid "MRG " and resid 300 and name HG2 ))
(( segid "MRG " and resid 300 and name HD2 ))
1.700 0.400 0.500 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.48571E-01 ppm1 1.603 ppm2 1.379 CV 1
OR { 2274}
(( segid "MRG " and resid 187 and name HG2 ))
(( segid "MRG " and resid 187 and name HD2 ))
OR { 2274}
(( segid "MRG " and resid 187 and name HG2 ))
(( segid "MRG " and resid 187 and name HD1 ))
OR { 2274}
(( segid "MRG " and resid 300 and name HG2 ))
(( segid "MRG " and resid 300 and name HD1 ))
ASSI { 2277}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 296 and name HE2 ))
4.100 2.100 1.900 peak 2277 spectrum 1 weight 0.10000E+01 volume 0.34642E-03 ppm1 2.946 ppm2 -1.067 CV 1
OR { 2277}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 300 and name HE2 ))
OR { 2277}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 300 and name HE1 ))
OR { 2277}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 296 and name HE1 ))
ASSI { 2278}
(( segid "MRG " and resid 297 and name HA ))
(( segid "MRG " and resid 296 and name HE2 ))
4.300 2.300 1.700 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.41346E-03 ppm1 2.948 ppm2 3.889 CV 1
OR { 2278}
(( segid "MRG " and resid 297 and name HA ))
(( segid "MRG " and resid 296 and name HE1 ))
OR { 2278}
(( segid "MRG " and resid 296 and name HA ))
(( segid "MRG " and resid 296 and name HE1 ))
OR { 2278}
(( segid "MRG " and resid 296 and name HA ))
(( segid "MRG " and resid 296 and name HE2 ))
OR { 2278}
(( segid "MRG " and resid 297 and name HA ))
(( segid "MRG " and resid 300 and name HE2 ))
ASSI { 2317}
(( segid "MRG " and resid 273 and name HB1 ))
( segid "MRG " and resid 274 and name HD1%)
3.200 1.300 1.300 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.26935E-02 ppm1 0.637 ppm2 1.875 CV 1
OR { 2317}
(( segid "MRG " and resid 193 and name HG11))
( segid "MRG " and resid 305 and name HD1%)
ASSI { 2319}
(( segid "MRG " and resid 188 and name HE2 ))
( segid "MRG " and resid 305 and name HD1%)
4.000 2.000 2.000 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.31391E-03 ppm1 0.637 ppm2 2.515 CV 1
OR { 2319}
(( segid "MRG " and resid 241 and name HG1 ))
( segid "MRG " and resid 257 and name HG2%)
ASSI { 2321}
( segid "MRG " and resid 245 and name HG2%)
( segid "MRG " and resid 257 and name HG2%)
2.200 0.600 0.600 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.12524E-01 ppm1 0.626 ppm2 0.950 CV 1
OR { 2321}
(( segid "MRG " and resid 305 and name HB1 ))
( segid "MRG " and resid 305 and name HD1%)
ASSI { 2325}
(( segid "MRG " and resid 185 and name HA ))
( segid "MRG " and resid 257 and name HG2%)
2.100 0.600 0.600 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.16177E-01 ppm1 0.637 ppm2 4.075 CV 1
OR { 2325}
(( segid "MRG " and resid 274 and name HA ))
( segid "MRG " and resid 274 and name HD1%)
OR { 2325}
(( segid "MRG " and resid 305 and name HA ))
( segid "MRG " and resid 305 and name HD1%)
ASSI { 2329}
(( segid "MRG " and resid 305 and name HB1 ))
( segid "MRG " and resid 305 and name HD2%)
2.400 0.700 0.700 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.55393E-02 ppm1 0.517 ppm2 0.957 CV 1
OR { 2329}
( segid "MRG " and resid 260 and name HB% )
( segid "MRG " and resid 305 and name HD2%)
ASSI { 2341}
(( segid "MRG " and resid 210 and name HB2 ))
(( segid "MRG " and resid 210 and name HA ))
2.300 0.700 0.700 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.69444E-02 ppm1 4.244 ppm2 1.752 CV 1
OR { 2341}
(( segid "MRG " and resid 210 and name HB1 ))
(( segid "MRG " and resid 210 and name HA ))
OR { 2341}
(( segid "MRG " and resid 306 and name HB1 ))
(( segid "MRG " and resid 306 and name HA ))
ASSI { 2387}
(( segid "MRG " and resid 180 and name HB1 ))
(( segid "MRG " and resid 313 and name HA ))
3.800 1.800 1.800 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.12484E-02 ppm1 3.803 ppm2 2.256 CV 1
OR { 2387}
(( segid "MRG " and resid 178 and name HB2 ))
(( segid "MRG " and resid 313 and name HA ))
ASSI { 2397}
(( segid "MRG " and resid 170 and name HB1 ))
( segid "MRG " and resid 169 and name HG1%)
3.600 1.600 1.600 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.22279E-02 ppm1 1.059 ppm2 2.252 CV 1
OR { 2397}
(( segid "MRG " and resid 180 and name HB1 ))
( segid "MRG " and resid 313 and name HG1%)
OR { 2397}
(( segid "MRG " and resid 178 and name HB2 ))
( segid "MRG " and resid 313 and name HG1%)
ASSI { 2398}
(( segid "MRG " and resid 180 and name HG1 ))
( segid "MRG " and resid 313 and name HG1%)
3.000 1.100 1.100 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.35566E-02 ppm1 1.059 ppm2 2.199 CV 1
OR { 2398}
(( segid "MRG " and resid 166 and name HB1 ))
( segid "MRG " and resid 169 and name HG1%)
OR { 2398}
(( segid "MRG " and resid 312 and name HG1 ))
( segid "MRG " and resid 313 and name HG1%)
OR { 2398}
(( segid "MRG " and resid 315 and name HG1 ))
( segid "MRG " and resid 313 and name HG1%)
OR { 2398}
(( segid "MRG " and resid 264 and name HB1 ))
( segid "MRG " and resid 268 and name HG2%)
ASSI { 2399}
(( segid "MRG " and resid 180 and name HG2 ))
( segid "MRG " and resid 313 and name HG1%)
3.200 1.300 1.300 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.36730E-02 ppm1 1.063 ppm2 1.857 CV 1
OR { 2399}
(( segid "MBD " and resid 116 and name HB2 ))
( segid "MRG " and resid 169 and name HG1%)
OR { 2399}
(( segid "MBD " and resid 116 and name HB1 ))
( segid "MRG " and resid 169 and name HG1%)
ASSI { 2411}
( segid "MRG " and resid 314 and name HB% )
( segid "MRG " and resid 313 and name HG2%)
2.400 2.400 3.600 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.36127E-02 ppm1 1.025 ppm2 1.293 CV 1
OR { 2411}
( segid "MRG " and resid 175 and name HD1%)
( segid "MRG " and resid 313 and name HG2%)
ASSI { 2419}
(( segid "MRG " and resid 180 and name HB1 ))
( segid "MRG " and resid 314 and name HB% )
5.600 3.900 0.400 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.17943E-03 ppm1 1.293 ppm2 2.225 CV 1
OR { 2419}
(( segid "MRG " and resid 180 and name HG1 ))
( segid "MRG " and resid 314 and name HB% )
OR { 2419}
(( segid "MRG " and resid 315 and name HG1 ))
( segid "MRG " and resid 314 and name HB% )
ASSI { 2421}
(( segid "MRG " and resid 179 and name HB1 ))
( segid "MRG " and resid 314 and name HB% )
3.400 1.500 1.500 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.10637E-02 ppm1 1.294 ppm2 2.023 CV 1
OR { 2421}
(( segid "MRG " and resid 315 and name HG2 ))
( segid "MRG " and resid 314 and name HB% )
ASSI { 2423}
( segid "MRG " and resid 181 and name HD1%)
( segid "MRG " and resid 314 and name HB% )
3.400 1.400 1.400 peak 2423 spectrum 1 weight 0.10000E+01 volume 0.15896E-02 ppm1 1.295 ppm2 0.839 CV 1
OR { 2423}
(( segid "MRG " and resid 179 and name HD2 ))
( segid "MRG " and resid 314 and name HB% )
ASSI { 2438}
(( segid "MRG " and resid 315 and name HG1 ))
(( segid "MRG " and resid 315 and name HA ))
4.200 2.200 1.800 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.63825E-03 ppm1 4.861 ppm2 2.216 CV 1
OR { 2438}
(( segid "MRG " and resid 316 and name HG1 ))
(( segid "MRG " and resid 315 and name HA ))
ASSI { 2447}
(( segid "MRG " and resid 316 and name HD1 ))
(( segid "MRG " and resid 315 and name HB1 ))
3.900 1.900 1.900 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.71453E-03 ppm1 2.482 ppm2 3.929 CV 1
OR { 2447}
(( segid "MRG " and resid 315 and name HD1 ))
(( segid "MRG " and resid 315 and name HB1 ))
ASSI { 2452}
(( segid "MRG " and resid 316 and name HD1 ))
(( segid "MRG " and resid 315 and name HB2 ))
4.200 2.200 1.800 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.76270E-03 ppm1 2.290 ppm2 3.929 CV 1
OR { 2452}
(( segid "MRG " and resid 315 and name HD1 ))
(( segid "MRG " and resid 315 and name HB2 ))
ASSI { 2456}
(( segid "MRG " and resid 315 and name HG1 ))
(( segid "MRG " and resid 315 and name HD1 ))
2.700 0.900 0.900 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.18706E-02 ppm1 3.919 ppm2 2.210 CV 1
OR { 2456}
(( segid "MRG " and resid 316 and name HG1 ))
(( segid "MRG " and resid 316 and name HD1 ))
ASSI { 2460}
(( segid "MRG " and resid 315 and name HG1 ))
(( segid "MRG " and resid 315 and name HD2 ))
3.500 1.500 1.500 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.10838E-02 ppm1 3.443 ppm2 2.223 CV 1
OR { 2460}
(( segid "MRG " and resid 250 and name HB1 ))
(( segid "MRG " and resid 250 and name HD1 ))
ASSI { 2467}
(( segid "MRG " and resid 316 and name HG1 ))
(( segid "MRG " and resid 316 and name HG2 ))
1.600 0.300 0.600 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.18586E-01 ppm1 2.048 ppm2 2.211 CV 1
OR { 2467}
(( segid "MRG " and resid 315 and name HG1 ))
(( segid "MRG " and resid 315 and name HG2 ))
ASSI { 2502}
(( segid "MRG " and resid 195 and name HG1 ))
(( segid "MRG " and resid 195 and name HA ))
2.300 0.600 0.600 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.12524E-01 ppm1 4.042 ppm2 2.270 CV 1
OR { 2502}
(( segid "MRG " and resid 216 and name HG2 ))
(( segid "MRG " and resid 216 and name HA ))
OR { 2502}
(( segid "MRG " and resid 317 and name HG2 ))
(( segid "MRG " and resid 317 and name HA ))
OR { 2502}
(( segid "MRG " and resid 195 and name HG2 ))
(( segid "MRG " and resid 195 and name HA ))
ASSI { 2511}
(( segid "MRG " and resid 317 and name HB2 ))
(( segid "MRG " and resid 318 and name HA ))
3.400 1.500 1.500 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.11601E-02 ppm1 3.898 ppm2 2.036 CV 1
OR { 2511}
(( segid "MRG " and resid 317 and name HB1 ))
(( segid "MRG " and resid 318 and name HA ))
OR { 2511}
(( segid "MRG " and resid 315 and name HG2 ))
(( segid "MRG " and resid 318 and name HA ))
ASSI { 2517}
(( segid "MRG " and resid 318 and name HA ))
(( segid "MRG " and resid 318 and name HB1 ))
3.700 1.800 1.800 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.46163E-03 ppm1 3.038 ppm2 3.902 CV 1
OR { 2517}
(( segid "MRG " and resid 318 and name HA ))
(( segid "MRG " and resid 318 and name HB2 ))
OR { 2517}
(( segid "MRG " and resid 315 and name HD1 ))
(( segid "MRG " and resid 318 and name HB2 ))
ASSI { 2528}
( segid "MRG " and resid 323 and name HG1%)
(( segid "MRG " and resid 320 and name HA ))
3.100 1.200 1.200 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.10277E-02 ppm1 4.169 ppm2 0.901 CV 1
OR { 2528}
( segid "MRG " and resid 323 and name HG2%)
(( segid "MRG " and resid 320 and name HA ))
OR { 2528}
( segid "MBD " and resid 111 and name HD1%)
(( segid "MRG " and resid 160 and name HA ))
OR { 2528}
( segid "MRG " and resid 264 and name HD1%)
(( segid "MRG " and resid 160 and name HA ))
ASSI { 2557}
(( segid "MRG " and resid 188 and name HE1 ))
(( segid "MRG " and resid 188 and name HD2 ))
2.300 0.700 0.700 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.73059E-02 ppm1 1.562 ppm2 2.806 CV 1
OR { 2557}
(( segid "MRG " and resid 321 and name HE1 ))
(( segid "MRG " and resid 321 and name HD1 ))
ASSI { 2589}
( segid "MRG " and resid 322 and name HB% )
(( segid "MRG " and resid 323 and name HA ))
3.600 1.600 1.600 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.11601E-02 ppm1 4.016 ppm2 1.243 CV 1
OR { 2589}
(( segid "MRG " and resid 188 and name HG1 ))
(( segid "MRG " and resid 192 and name HB1 ))
ASSI { 2596}
(( segid "MRG " and resid 320 and name HA ))
( segid "MRG " and resid 323 and name HG2%)
3.400 1.400 1.400 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.14331E-02 ppm1 0.887 ppm2 4.191 CV 1
OR { 2596}
(( segid "MRG " and resid 319 and name HA ))
( segid "MRG " and resid 323 and name HG2%)
OR { 2596}
(( segid "MRG " and resid 321 and name HA ))
( segid "MRG " and resid 323 and name HG2%)
ASSI { 2602}
( segid "MRG " and resid 279 and name HD2%)
(( segid "MRG " and resid 277 and name HB ))
3.700 1.700 1.700 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.47367E-03 ppm1 4.177 ppm2 0.750 CV 1
OR { 2602}
( segid "MBD " and resid 96 and name HD2%)
(( segid "MRG " and resid 277 and name HB ))
OR { 2602}
( segid "MBD " and resid 96 and name HD1%)
(( segid "MRG " and resid 277 and name HB ))
ASSI { 2617}
(( segid "MRG " and resid 187 and name HE2 ))
(( segid "MRG " and resid 187 and name HG2 ))
3.500 1.500 1.500 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.81086E-03 ppm1 1.392 ppm2 2.691 CV 1
OR { 2617}
(( segid "MRG " and resid 280 and name HB2 ))
(( segid "MRG " and resid 282 and name HG2 ))
ASSI { 2619}
(( segid "MRG " and resid 192 and name HB1 ))
(( segid "MRG " and resid 188 and name HG2 ))
3.700 1.700 1.700 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.29866E-03 ppm1 1.161 ppm2 4.020 CV 1
OR { 2619}
(( segid "MRG " and resid 192 and name HB2 ))
(( segid "MRG " and resid 188 and name HG2 ))
OR { 2619}
(( segid "MRG " and resid 187 and name HA ))
(( segid "MRG " and resid 188 and name HG2 ))
ASSI { 2620}
(( segid "MRG " and resid 188 and name HG2 ))
( segid "MRG " and resid 193 and name HD1%)
3.500 1.500 1.500 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.12604E-02 ppm1 0.634 ppm2 1.156 CV 1
OR { 2620}
(( segid "MRG " and resid 298 and name HB2 ))
( segid "MRG " and resid 193 and name HD1%)
ASSI { 37}
(( segid "MRG " and resid 159 and name HB1 ))
(( segid "MRG " and resid 160 and name HN ))
3.000 1.100 1.100 peak 37 spectrum 1 weight 0.10000E+01 volume 0.62322E-02 ppm1 8.510 ppm2 1.508 CV 1
OR { 37}
(( segid "MRG " and resid 160 and name HG11))
(( segid "MRG " and resid 160 and name HN ))
OR { 37}
(( segid "MRG " and resid 159 and name HB2 ))
(( segid "MRG " and resid 160 and name HN ))
ASSI { 55}
(( segid "MRG " and resid 161 and name HB2 ))
(( segid "MRG " and resid 163 and name HN ))
3.000 1.100 1.100 peak 55 spectrum 1 weight 0.10000E+01 volume 0.15091E-02 ppm1 10.123 ppm2 1.598 CV 1
OR { 55}
(( segid "MRG " and resid 164 and name HB1 ))
(( segid "MRG " and resid 163 and name HN ))
ASSI { 59}
(( segid "MRG " and resid 163 and name HB1 ))
(( segid "MRG " and resid 163 and name HN ))
2.800 1.000 1.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.51739E-02 ppm1 10.123 ppm2 2.036 CV 1
OR { 59}
(( segid "MRG " and resid 162 and name HB1 ))
(( segid "MRG " and resid 163 and name HN ))
ASSI { 61}
(( segid "MRG " and resid 163 and name HG2 ))
(( segid "MRG " and resid 163 and name HN ))
2.800 1.000 1.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.43703E-02 ppm1 10.123 ppm2 2.348 CV 1
OR { 61}
(( segid "MRG " and resid 163 and name HG1 ))
(( segid "MRG " and resid 163 and name HN ))
OR { 61}
(( segid "MRG " and resid 162 and name HG1 ))
(( segid "MRG " and resid 163 and name HN ))
ASSI { 65}
( segid "MRG " and resid 164 and name HD1%)
(( segid "MRG " and resid 164 and name HN ))
2.900 1.100 1.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.37824E-02 ppm1 7.725 ppm2 0.817 CV 1
OR { 65}
( segid "MRG " and resid 160 and name HG2%)
(( segid "MRG " and resid 164 and name HN ))
ASSI { 66}
(( segid "MRG " and resid 166 and name HD1 ))
(( segid "MRG " and resid 164 and name HN ))
4.200 2.200 1.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.54090E-03 ppm1 7.726 ppm2 3.759 CV 1
OR { 66}
(( segid "MRG " and resid 162 and name HA ))
(( segid "MRG " and resid 164 and name HN ))
ASSI { 68}
(( segid "MRG " and resid 163 and name HB1 ))
(( segid "MRG " and resid 164 and name HN ))
3.800 1.800 1.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.90934E-03 ppm1 7.723 ppm2 2.032 CV 1
OR { 68}
(( segid "MRG " and resid 162 and name HB1 ))
(( segid "MRG " and resid 164 and name HN ))
ASSI { 73}
(( segid "MRG " and resid 161 and name HB2 ))
(( segid "MRG " and resid 164 and name HN ))
2.500 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.63496E-02 ppm1 7.721 ppm2 1.613 CV 1
OR { 73}
(( segid "MRG " and resid 164 and name HB1 ))
(( segid "MRG " and resid 164 and name HN ))
OR { 73}
(( segid "MRG " and resid 165 and name HB2 ))
(( segid "MRG " and resid 164 and name HN ))
ASSI { 77}
( segid "MRG " and resid 160 and name HG2%)
(( segid "MRG " and resid 165 and name HN ))
3.500 1.500 1.500 peak 77 spectrum 1 weight 0.10000E+01 volume 0.23909E-02 ppm1 7.324 ppm2 0.844 CV 1
OR { 77}
( segid "MBD " and resid 115 and name HG2%)
(( segid "MRG " and resid 165 and name HN ))
ASSI { 80}
(( segid "MRG " and resid 165 and name HB1 ))
(( segid "MRG " and resid 165 and name HN ))
3.500 1.500 1.500 peak 80 spectrum 1 weight 0.10000E+01 volume 0.24693E-02 ppm1 7.322 ppm2 1.973 CV 1
OR { 80}
(( segid "MRG " and resid 166 and name HG1 ))
(( segid "MRG " and resid 165 and name HN ))
ASSI { 96}
( segid "MRG " and resid 168 and name HD2%)
(( segid "MRG " and resid 168 and name HN ))
3.100 1.200 1.200 peak 96 spectrum 1 weight 0.10000E+01 volume 0.54483E-02 ppm1 7.372 ppm2 0.847 CV 1
OR { 96}
( segid "MRG " and resid 169 and name HG2%)
(( segid "MRG " and resid 168 and name HN ))
ASSI { 98}
(( segid "MRG " and resid 168 and name HA ))
(( segid "MRG " and resid 169 and name HN ))
3.600 1.600 1.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.68986E-03 ppm1 7.339 ppm2 4.025 CV 1
OR { 98}
(( segid "MRG " and resid 166 and name HA ))
(( segid "MRG " and resid 169 and name HN ))
ASSI { 102}
(( segid "MRG " and resid 169 and name HB ))
(( segid "MRG " and resid 169 and name HN ))
2.800 1.000 1.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.27633E-02 ppm1 7.346 ppm2 2.103 CV 1
OR { 102}
(( segid "MRG " and resid 168 and name HB1 ))
(( segid "MRG " and resid 169 and name HN ))
ASSI { 106}
(( segid "MRG " and resid 169 and name HN ))
(( segid "MRG " and resid 171 and name HN ))
4.000 2.000 2.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.55857E-03 ppm1 7.955 ppm2 7.354 CV 1
OR { 106}
(( segid "MRG " and resid 168 and name HN ))
(( segid "MRG " and resid 171 and name HN ))
ASSI { 109}
(( segid "MRG " and resid 169 and name HA ))
(( segid "MRG " and resid 171 and name HN ))
4.500 2.500 1.500 peak 109 spectrum 1 weight 0.10000E+01 volume 0.45859E-03 ppm1 7.952 ppm2 3.677 CV 1
OR { 109}
(( segid "MRG " and resid 172 and name HB2 ))
(( segid "MRG " and resid 171 and name HN ))
ASSI { 125}
( segid "MRG " and resid 235 and name HE% )
(( segid "MRG " and resid 172 and name HE1 ))
3.500 1.600 1.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.13013E-02 ppm1 9.823 ppm2 6.849 CV 1
OR { 125}
(( segid "MRG " and resid 172 and name HZ3 ))
(( segid "MRG " and resid 172 and name HE1 ))
ASSI { 129}
(( segid "MRG " and resid 171 and name HN ))
(( segid "MRG " and resid 172 and name HN ))
3.100 1.200 1.200 peak 129 spectrum 1 weight 0.10000E+01 volume 0.14934E-02 ppm1 7.516 ppm2 7.946 CV 1
OR { 129}
(( segid "MRG " and resid 172 and name HE3 ))
(( segid "MRG " and resid 172 and name HN ))
ASSI { 137}
(( segid "MRG " and resid 172 and name HB2 ))
(( segid "MRG " and resid 173 and name HN ))
3.800 1.900 1.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.13248E-02 ppm1 8.911 ppm2 3.680 CV 1
OR { 137}
(( segid "MRG " and resid 169 and name HA ))
(( segid "MRG " and resid 173 and name HN ))
ASSI { 145}
(( segid "MRG " and resid 173 and name HB1 ))
(( segid "MRG " and resid 174 and name HN ))
3.200 1.300 1.300 peak 145 spectrum 1 weight 0.10000E+01 volume 0.13444E-02 ppm1 8.923 ppm2 2.766 CV 1
OR { 145}
(( segid "MRG " and resid 171 and name HB2 ))
(( segid "MRG " and resid 174 and name HN ))
ASSI { 148}
(( segid "MRG " and resid 174 and name HB1 ))
(( segid "MRG " and resid 174 and name HN ))
3.500 1.500 1.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.21558E-02 ppm1 8.925 ppm2 1.691 CV 1
OR { 148}
(( segid "MRG " and resid 175 and name HB ))
(( segid "MRG " and resid 174 and name HN ))
ASSI { 215}
(( segid "MRG " and resid 179 and name HB1 ))
(( segid "MRG " and resid 179 and name HN ))
3.800 1.800 1.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.15815E-02 ppm1 6.701 ppm2 1.999 CV 1
OR { 215}
(( segid "MRG " and resid 178 and name HG2 ))
(( segid "MRG " and resid 179 and name HN ))
ASSI { 230}
(( segid "MRG " and resid 180 and name HB1 ))
(( segid "MRG " and resid 180 and name HE22))
4.100 2.100 1.900 peak 230 spectrum 1 weight 0.10000E+01 volume 0.87799E-03 ppm1 6.053 ppm2 2.257 CV 1
OR { 230}
(( segid "MRG " and resid 178 and name HB2 ))
(( segid "MRG " and resid 180 and name HE22))
ASSI { 233}
( segid "MRG " and resid 313 and name HG1%)
(( segid "MRG " and resid 180 and name HE22))
3.500 1.500 1.500 peak 233 spectrum 1 weight 0.10000E+01 volume 0.48995E-03 ppm1 6.049 ppm2 1.061 CV 1
OR { 233}
( segid "MRG " and resid 175 and name HG2%)
(( segid "MRG " and resid 180 and name HE22))
ASSI { 234}
( segid "MRG " and resid 175 and name HG2%)
(( segid "MRG " and resid 180 and name HN ))
3.700 1.700 1.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.16678E-02 ppm1 8.449 ppm2 1.066 CV 1
OR { 234}
( segid "MRG " and resid 313 and name HG1%)
(( segid "MRG " and resid 180 and name HN ))
ASSI { 244}
(( segid "MRG " and resid 178 and name HB2 ))
(( segid "MRG " and resid 180 and name HN ))
2.800 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.27829E-02 ppm1 8.446 ppm2 2.257 CV 1
OR { 244}
(( segid "MRG " and resid 180 and name HB1 ))
(( segid "MRG " and resid 180 and name HN ))
ASSI { 253}
( segid "MRG " and resid 314 and name HB% )
(( segid "MRG " and resid 181 and name HN ))
3.000 1.100 1.100 peak 253 spectrum 1 weight 0.10000E+01 volume 0.28809E-02 ppm1 8.372 ppm2 1.295 CV 1
OR { 253}
(( segid "MRG " and resid 181 and name HG ))
(( segid "MRG " and resid 181 and name HN ))
OR { 253}
( segid "MRG " and resid 175 and name HD1%)
(( segid "MRG " and resid 181 and name HN ))
ASSI { 256}
(( segid "MRG " and resid 181 and name HB1 ))
(( segid "MRG " and resid 181 and name HN ))
3.000 1.100 1.100 peak 256 spectrum 1 weight 0.10000E+01 volume 0.30965E-02 ppm1 8.372 ppm2 1.458 CV 1
OR { 256}
(( segid "MRG " and resid 181 and name HB2 ))
(( segid "MRG " and resid 181 and name HN ))
OR { 256}
(( segid "MRG " and resid 180 and name HB2 ))
(( segid "MRG " and resid 181 and name HN ))
ASSI { 262}
(( segid "MRG " and resid 181 and name HG ))
(( segid "MRG " and resid 182 and name HN ))
3.600 1.600 1.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.76038E-03 ppm1 9.919 ppm2 1.291 CV 1
OR { 262}
( segid "MRG " and resid 175 and name HD1%)
(( segid "MRG " and resid 182 and name HN ))
ASSI { 269}
(( segid "MRG " and resid 183 and name HB1 ))
(( segid "MRG " and resid 183 and name HN ))
2.800 1.000 1.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.55463E-02 ppm1 7.798 ppm2 2.606 CV 1
OR { 269}
(( segid "MRG " and resid 182 and name HB2 ))
(( segid "MRG " and resid 183 and name HN ))
ASSI { 279}
( segid "MRG " and resid 245 and name HD1%)
(( segid "MRG " and resid 184 and name HN ))
2.900 1.100 1.100 peak 279 spectrum 1 weight 0.10000E+01 volume 0.22342E-02 ppm1 6.919 ppm2 0.626 CV 1
OR { 279}
(( segid "MRG " and resid 184 and name HB2 ))
(( segid "MRG " and resid 184 and name HN ))
ASSI { 303}
(( segid "MRG " and resid 187 and name HG2 ))
(( segid "MRG " and resid 187 and name HN ))
3.300 1.400 1.400 peak 303 spectrum 1 weight 0.10000E+01 volume 0.34101E-02 ppm1 8.555 ppm2 1.390 CV 1
OR { 303}
(( segid "MRG " and resid 188 and name HB2 ))
(( segid "MRG " and resid 187 and name HN ))
ASSI { 306}
( segid "MRG " and resid 186 and name HB% )
(( segid "MRG " and resid 188 and name HN ))
2.500 0.800 0.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.81528E-02 ppm1 8.049 ppm2 1.159 CV 1
OR { 306}
(( segid "MRG " and resid 188 and name HG2 ))
(( segid "MRG " and resid 188 and name HN ))
ASSI { 318}
(( segid "MRG " and resid 191 and name HB2 ))
(( segid "MRG " and resid 189 and name HD21))
4.200 2.200 1.800 peak 318 spectrum 1 weight 0.10000E+01 volume 0.46251E-03 ppm1 7.583 ppm2 2.420 CV 1
OR { 318}
(( segid "MRG " and resid 256 and name HG1 ))
(( segid "MRG " and resid 189 and name HD21))
ASSI { 321}
(( segid "MRG " and resid 191 and name HN ))
(( segid "MRG " and resid 189 and name HD22))
5.200 3.400 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.19990E-03 ppm1 7.003 ppm2 7.842 CV 1
OR { 321}
(( segid "MRG " and resid 190 and name HN ))
(( segid "MRG " and resid 189 and name HD22))
ASSI { 337}
(( segid "MRG " and resid 190 and name HN ))
(( segid "MRG " and resid 189 and name HN ))
4.000 2.000 2.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.74470E-03 ppm1 8.347 ppm2 7.835 CV 1
OR { 337}
(( segid "MRG " and resid 191 and name HN ))
(( segid "MRG " and resid 189 and name HN ))
ASSI { 345}
(( segid "MRG " and resid 216 and name HB2 ))
(( segid "MRG " and resid 216 and name HN ))
2.300 0.600 0.600 peak 345 spectrum 1 weight 0.10000E+01 volume 0.94264E-02 ppm1 7.846 ppm2 2.065 CV 1
OR { 345}
(( segid "MRG " and resid 190 and name HB ))
(( segid "MRG " and resid 190 and name HN ))
OR { 345}
(( segid "MRG " and resid 216 and name HB1 ))
(( segid "MRG " and resid 216 and name HN ))
ASSI { 356}
(( segid "MRG " and resid 191 and name HA ))
(( segid "MRG " and resid 191 and name HN ))
2.300 0.700 0.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.95637E-02 ppm1 7.837 ppm2 4.076 CV 1
OR { 356}
(( segid "MRG " and resid 211 and name HA ))
(( segid "MRG " and resid 212 and name HN ))
ASSI { 370}
(( segid "MRG " and resid 194 and name HN ))
(( segid "MRG " and resid 193 and name HN ))
2.400 0.700 0.700 peak 370 spectrum 1 weight 0.10000E+01 volume 0.45075E-02 ppm1 8.007 ppm2 8.397 CV 1
OR { 370}
(( segid "MRG " and resid 192 and name HN ))
(( segid "MRG " and resid 193 and name HN ))
ASSI { 384}
(( segid "MRG " and resid 194 and name HA ))
(( segid "MRG " and resid 194 and name HN ))
2.900 1.000 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.22538E-02 ppm1 8.403 ppm2 4.061 CV 1
OR { 384}
(( segid "MRG " and resid 191 and name HA ))
(( segid "MRG " and resid 194 and name HN ))
ASSI { 387}
( segid "MRG " and resid 194 and name HD1%)
(( segid "MRG " and resid 194 and name HN ))
3.700 1.700 1.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.23518E-02 ppm1 8.404 ppm2 0.738 CV 1
OR { 387}
(( segid "MRG " and resid 193 and name HG12))
(( segid "MRG " and resid 194 and name HN ))
ASSI { 391}
(( segid "MRG " and resid 195 and name HA ))
(( segid "MRG " and resid 195 and name HN ))
2.500 0.800 0.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.63695E-02 ppm1 7.953 ppm2 4.056 CV 1
OR { 391}
(( segid "MRG " and resid 194 and name HA ))
(( segid "MRG " and resid 195 and name HN ))
ASSI { 397}
(( segid "MRG " and resid 194 and name HN ))
(( segid "MRG " and resid 195 and name HN ))
2.300 0.700 0.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.67418E-02 ppm1 7.953 ppm2 8.404 CV 1
OR { 397}
(( segid "MRG " and resid 196 and name HN ))
(( segid "MRG " and resid 195 and name HN ))
ASSI { 407}
(( segid "MRG " and resid 195 and name HA ))
(( segid "MRG " and resid 196 and name HN ))
3.100 1.200 1.200 peak 407 spectrum 1 weight 0.10000E+01 volume 0.26065E-02 ppm1 8.410 ppm2 4.043 CV 1
OR { 407}
(( segid "MRG " and resid 194 and name HA ))
(( segid "MRG " and resid 196 and name HN ))
ASSI { 417}
(( segid "MRG " and resid 194 and name HA ))
(( segid "MRG " and resid 197 and name HN ))
3.400 1.400 1.400 peak 417 spectrum 1 weight 0.10000E+01 volume 0.12640E-02 ppm1 8.264 ppm2 4.041 CV 1
OR { 417}
(( segid "MRG " and resid 195 and name HA ))
(( segid "MRG " and resid 197 and name HN ))
ASSI { 422}
(( segid "MRG " and resid 198 and name HN ))
(( segid "MRG " and resid 197 and name HN ))
2.200 0.600 0.600 peak 422 spectrum 1 weight 0.10000E+01 volume 0.83489E-02 ppm1 8.257 ppm2 8.414 CV 1
OR { 422}
(( segid "MRG " and resid 196 and name HN ))
(( segid "MRG " and resid 197 and name HN ))
ASSI { 428}
(( segid "MRG " and resid 195 and name HA ))
(( segid "MRG " and resid 198 and name HN ))
3.100 1.200 1.200 peak 428 spectrum 1 weight 0.10000E+01 volume 0.17834E-02 ppm1 8.424 ppm2 4.042 CV 1
OR { 428}
(( segid "MRG " and resid 194 and name HA ))
(( segid "MRG " and resid 198 and name HN ))
ASSI { 430}
(( segid "MRG " and resid 196 and name HA ))
(( segid "MRG " and resid 198 and name HN ))
4.500 2.600 1.500 peak 430 spectrum 1 weight 0.10000E+01 volume 0.35080E-03 ppm1 8.421 ppm2 4.370 CV 1
OR { 430}
(( segid "MRG " and resid 199 and name HA ))
(( segid "MRG " and resid 198 and name HN ))
ASSI { 439}
(( segid "MRG " and resid 201 and name HG2 ))
(( segid "MRG " and resid 198 and name HN ))
3.400 3.400 2.600 peak 439 spectrum 1 weight 0.10000E+01 volume 0.10269E-02 ppm1 8.425 ppm2 0.859 CV 1
OR { 439}
( segid "MRG " and resid 214 and name HG2%)
(( segid "MRG " and resid 198 and name HN ))
ASSI { 441}
(( segid "MRG " and resid 199 and name HA ))
(( segid "MRG " and resid 199 and name HD21))
3.700 1.700 1.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.76237E-03 ppm1 7.732 ppm2 4.375 CV 1
OR { 441}
(( segid "MRG " and resid 196 and name HA ))
(( segid "MRG " and resid 199 and name HD21))
ASSI { 447}
(( segid "MRG " and resid 199 and name HA ))
(( segid "MRG " and resid 199 and name HD22))
4.700 2.800 1.300 peak 447 spectrum 1 weight 0.10000E+01 volume 0.39980E-03 ppm1 7.068 ppm2 4.372 CV 1
OR { 447}
(( segid "MRG " and resid 196 and name HA ))
(( segid "MRG " and resid 199 and name HD22))
ASSI { 456}
(( segid "MRG " and resid 199 and name HA ))
(( segid "MRG " and resid 199 and name HN ))
2.400 0.700 0.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.63496E-02 ppm1 8.477 ppm2 4.384 CV 1
OR { 456}
(( segid "MRG " and resid 196 and name HA ))
(( segid "MRG " and resid 199 and name HN ))
ASSI { 460}
(( segid "MRG " and resid 199 and name HD22))
(( segid "MRG " and resid 199 and name HN ))
5.100 3.300 0.900 peak 460 spectrum 1 weight 0.10000E+01 volume 0.21362E-03 ppm1 8.478 ppm2 7.067 CV 1
OR { 460}
( segid "MRG " and resid 200 and name HD% )
(( segid "MRG " and resid 199 and name HN ))
ASSI { 465}
(( segid "MRG " and resid 199 and name HA ))
(( segid "MRG " and resid 200 and name HN ))
3.200 1.300 1.300 peak 465 spectrum 1 weight 0.10000E+01 volume 0.16011E-02 ppm1 8.314 ppm2 4.381 CV 1
OR { 465}
(( segid "MRG " and resid 196 and name HA ))
(( segid "MRG " and resid 200 and name HN ))
ASSI { 488}
(( segid "MRG " and resid 201 and name HA ))
(( segid "MRG " and resid 202 and name HN ))
3.000 1.100 1.100 peak 488 spectrum 1 weight 0.10000E+01 volume 0.21558E-02 ppm1 7.875 ppm2 3.587 CV 1
OR { 488}
(( segid "MRG " and resid 220 and name HA1 ))
(( segid "MRG " and resid 222 and name HN ))
ASSI { 489}
(( segid "MRG " and resid 201 and name HG1 ))
(( segid "MRG " and resid 202 and name HN ))
4.200 2.200 1.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.72903E-03 ppm1 7.878 ppm2 1.122 CV 1
OR { 489}
( segid "MRG " and resid 218 and name HG1%)
(( segid "MRG " and resid 222 and name HN ))
ASSI { 493}
(( segid "MRG " and resid 202 and name HG2 ))
(( segid "MRG " and resid 202 and name HN ))
2.700 0.900 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.61147E-02 ppm1 7.876 ppm2 1.404 CV 1
OR { 493}
(( segid "MRG " and resid 222 and name HG2 ))
(( segid "MRG " and resid 222 and name HN ))
OR { 493}
(( segid "MRG " and resid 222 and name HG1 ))
(( segid "MRG " and resid 222 and name HN ))
ASSI { 494}
(( segid "MRG " and resid 202 and name HE1 ))
(( segid "MRG " and resid 202 and name HN ))
3.600 1.600 1.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.11994E-02 ppm1 7.876 ppm2 2.844 CV 1
OR { 494}
(( segid "MRG " and resid 202 and name HE2 ))
(( segid "MRG " and resid 202 and name HN ))
OR { 494}
(( segid "MRG " and resid 199 and name HB1 ))
(( segid "MRG " and resid 202 and name HN ))
ASSI { 500}
(( segid "MRG " and resid 201 and name HN ))
(( segid "MRG " and resid 203 and name HN ))
5.500 3.800 0.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.92502E-04 ppm1 7.676 ppm2 8.281 CV 1
OR { 500}
(( segid "MRG " and resid 200 and name HN ))
(( segid "MRG " and resid 203 and name HN ))
ASSI { 511}
(( segid "MRG " and resid 204 and name HA ))
(( segid "MRG " and resid 204 and name HN ))
3.100 1.200 1.200 peak 511 spectrum 1 weight 0.10000E+01 volume 0.18814E-02 ppm1 7.537 ppm2 4.288 CV 1
OR { 511}
(( segid "MRG " and resid 203 and name HA ))
(( segid "MRG " and resid 204 and name HN ))
ASSI { 513}
(( segid "MRG " and resid 203 and name HB2 ))
(( segid "MRG " and resid 204 and name HN ))
4.000 2.000 2.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.88585E-03 ppm1 7.541 ppm2 3.933 CV 1
OR { 513}
(( segid "MRG " and resid 203 and name HB1 ))
(( segid "MRG " and resid 204 and name HN ))
OR { 513}
(( segid "MRG " and resid 205 and name HA2 ))
(( segid "MRG " and resid 204 and name HN ))
ASSI { 534}
(( segid "MRG " and resid 210 and name HA ))
(( segid "MRG " and resid 210 and name HN ))
3.200 1.300 1.300 peak 534 spectrum 1 weight 0.10000E+01 volume 0.13503E-02 ppm1 8.164 ppm2 4.249 CV 1
OR { 534}
(( segid "MRG " and resid 207 and name HA ))
(( segid "MRG " and resid 210 and name HN ))
ASSI { 536}
(( segid "MRG " and resid 210 and name HG1 ))
(( segid "MRG " and resid 210 and name HN ))
3.200 1.300 1.300 peak 536 spectrum 1 weight 0.10000E+01 volume 0.37236E-02 ppm1 8.168 ppm2 1.427 CV 1
OR { 536}
(( segid "MRG " and resid 245 and name HG12))
(( segid "MRG " and resid 246 and name HN ))
ASSI { 547}
(( segid "MRG " and resid 212 and name HN ))
(( segid "MRG " and resid 211 and name HN ))
2.900 1.100 1.100 peak 547 spectrum 1 weight 0.10000E+01 volume 0.17756E-02 ppm1 8.339 ppm2 7.827 CV 1
OR { 547}
(( segid "MRG " and resid 213 and name HN ))
(( segid "MRG " and resid 211 and name HN ))
ASSI { 548}
(( segid "MRG " and resid 210 and name HA ))
(( segid "MRG " and resid 212 and name HN ))
3.900 1.900 1.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.92109E-03 ppm1 7.827 ppm2 4.240 CV 1
OR { 548}
(( segid "MRG " and resid 192 and name HA ))
(( segid "MRG " and resid 191 and name HN ))
ASSI { 562}
(( segid "MRG " and resid 213 and name HA ))
(( segid "MRG " and resid 214 and name HN ))
3.400 1.500 1.500 peak 562 spectrum 1 weight 0.10000E+01 volume 0.17520E-02 ppm1 7.822 ppm2 4.221 CV 1
OR { 562}
(( segid "MRG " and resid 210 and name HA ))
(( segid "MRG " and resid 214 and name HN ))
OR { 562}
(( segid "MRG " and resid 213 and name HA ))
(( segid "MRG " and resid 212 and name HN ))
ASSI { 564}
(( segid "MRG " and resid 214 and name HA ))
(( segid "MRG " and resid 214 and name HN ))
3.200 1.300 1.300 peak 564 spectrum 1 weight 0.10000E+01 volume 0.14561E-02 ppm1 7.831 ppm2 3.393 CV 1
OR { 564}
(( segid "MRG " and resid 189 and name HB1 ))
(( segid "MRG " and resid 191 and name HN ))
ASSI { 574}
(( segid "MRG " and resid 214 and name HN ))
(( segid "MRG " and resid 215 and name HN ))
2.400 0.700 0.700 peak 574 spectrum 1 weight 0.10000E+01 volume 0.61147E-02 ppm1 8.214 ppm2 7.835 CV 1
OR { 574}
(( segid "MRG " and resid 216 and name HN ))
(( segid "MRG " and resid 215 and name HN ))
ASSI { 589}
( segid "MRG " and resid 214 and name HG1%)
(( segid "MRG " and resid 216 and name HN ))
4.400 2.400 1.600 peak 589 spectrum 1 weight 0.10000E+01 volume 0.76631E-03 ppm1 7.854 ppm2 0.898 CV 1
OR { 589}
( segid "MRG " and resid 217 and name HG1%)
(( segid "MRG " and resid 216 and name HN ))
ASSI { 596}
( segid "MRG " and resid 217 and name HG1%)
(( segid "MRG " and resid 218 and name HN ))
3.400 1.500 1.500 peak 596 spectrum 1 weight 0.10000E+01 volume 0.16854E-02 ppm1 8.284 ppm2 0.902 CV 1
OR { 596}
( segid "MRG " and resid 214 and name HG1%)
(( segid "MRG " and resid 218 and name HN ))
ASSI { 605}
(( segid "MRG " and resid 218 and name HA ))
(( segid "MRG " and resid 219 and name HN ))
4.200 2.200 1.800 peak 605 spectrum 1 weight 0.10000E+01 volume 0.45467E-03 ppm1 7.603 ppm2 3.532 CV 1
OR { 605}
(( segid "MRG " and resid 220 and name HA1 ))
(( segid "MRG " and resid 219 and name HN ))
ASSI { 631}
(( segid "MRG " and resid 221 and name HB ))
(( segid "MRG " and resid 222 and name HN ))
2.300 0.700 0.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.72709E-02 ppm1 7.875 ppm2 1.594 CV 1
OR { 631}
(( segid "MRG " and resid 201 and name HB1 ))
(( segid "MRG " and resid 202 and name HN ))
OR { 631}
(( segid "MRG " and resid 201 and name HB2 ))
(( segid "MRG " and resid 202 and name HN ))
OR { 631}
(( segid "MRG " and resid 202 and name HD2 ))
(( segid "MRG " and resid 202 and name HN ))
ASSI { 639}
(( segid "MRG " and resid 219 and name HA ))
(( segid "MRG " and resid 223 and name HN ))
3.700 1.700 1.700 peak 639 spectrum 1 weight 0.10000E+01 volume 0.97205E-03 ppm1 7.914 ppm2 3.993 CV 1
OR { 639}
(( segid "MRG " and resid 224 and name HA ))
(( segid "MRG " and resid 223 and name HN ))
ASSI { 643}
(( segid "MRG " and resid 223 and name HB2 ))
(( segid "MRG " and resid 223 and name HN ))
2.300 0.700 0.700 peak 643 spectrum 1 weight 0.10000E+01 volume 0.52522E-02 ppm1 7.914 ppm2 1.804 CV 1
OR { 643}
(( segid "MRG " and resid 222 and name HB1 ))
(( segid "MRG " and resid 223 and name HN ))
OR { 643}
(( segid "MRG " and resid 222 and name HB2 ))
(( segid "MRG " and resid 223 and name HN ))
ASSI { 661}
( segid "MRG " and resid 221 and name HG2%)
(( segid "MRG " and resid 225 and name HN ))
3.200 1.300 1.300 peak 661 spectrum 1 weight 0.10000E+01 volume 0.15698E-02 ppm1 8.810 ppm2 0.584 CV 1
OR { 661}
( segid "MRG " and resid 266 and name HD2%)
(( segid "MRG " and resid 225 and name HN ))
OR { 661}
( segid "MBD " and resid 77 and name HD1%)
(( segid "MRG " and resid 225 and name HN ))
ASSI { 663}
(( segid "MRG " and resid 223 and name HN ))
(( segid "MRG " and resid 225 and name HN ))
3.900 1.900 1.900 peak 663 spectrum 1 weight 0.10000E+01 volume 0.46055E-03 ppm1 8.805 ppm2 7.911 CV 1
OR { 663}
(( segid "MRG " and resid 222 and name HN ))
(( segid "MRG " and resid 225 and name HN ))
ASSI { 665}
(( segid "MRG " and resid 224 and name HB2 ))
(( segid "MRG " and resid 225 and name HN ))
3.300 1.300 1.300 peak 665 spectrum 1 weight 0.10000E+01 volume 0.19324E-02 ppm1 8.812 ppm2 2.799 CV 1
OR { 665}
(( segid "MRG " and resid 226 and name HB2 ))
(( segid "MRG " and resid 225 and name HN ))
ASSI { 669}
(( segid "MRG " and resid 225 and name HB2 ))
(( segid "MRG " and resid 225 and name HN ))
2.600 0.900 0.900 peak 669 spectrum 1 weight 0.10000E+01 volume 0.39392E-02 ppm1 8.813 ppm2 2.926 CV 1
OR { 669}
(( segid "MRG " and resid 224 and name HB1 ))
(( segid "MRG " and resid 225 and name HN ))
ASSI { 670}
( segid "MRG " and resid 225 and name HD% )
(( segid "MRG " and resid 225 and name HN ))
5.100 3.300 0.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.38608E-03 ppm1 8.811 ppm2 6.933 CV 1
OR { 670}
( segid "MRG " and resid 224 and name HD% )
(( segid "MRG " and resid 225 and name HN ))
ASSI { 684}
(( segid "MRG " and resid 226 and name HB1 ))
(( segid "MRG " and resid 226 and name HN ))
3.200 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.48799E-02 ppm1 8.579 ppm2 2.931 CV 1
OR { 684}
(( segid "MRG " and resid 225 and name HB2 ))
(( segid "MRG " and resid 226 and name HN ))
ASSI { 690}
(( segid "MRG " and resid 226 and name HB1 ))
(( segid "MRG " and resid 227 and name HN ))
4.100 2.100 1.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.64083E-03 ppm1 7.860 ppm2 2.928 CV 1
OR { 690}
(( segid "MRG " and resid 225 and name HB2 ))
(( segid "MRG " and resid 227 and name HN ))
ASSI { 719}
(( segid "MRG " and resid 233 and name HG ))
(( segid "MRG " and resid 229 and name HN ))
3.300 3.300 2.700 peak 719 spectrum 1 weight 0.10000E+01 volume 0.57225E-03 ppm1 7.951 ppm2 1.402 CV 1
OR { 719}
(( segid "MRG " and resid 222 and name HG1 ))
(( segid "MRG " and resid 229 and name HN ))
OR { 719}
(( segid "MRG " and resid 222 and name HG2 ))
(( segid "MRG " and resid 229 and name HN ))
ASSI { 722}
(( segid "MRG " and resid 229 and name HB1 ))
(( segid "MRG " and resid 230 and name HN ))
3.000 1.100 1.100 peak 722 spectrum 1 weight 0.10000E+01 volume 0.12347E-02 ppm1 8.240 ppm2 1.106 CV 1
OR { 722}
( segid "MRG " and resid 231 and name HG2%)
(( segid "MRG " and resid 230 and name HN ))
ASSI { 725}
( segid "MRG " and resid 229 and name HD2%)
(( segid "MRG " and resid 230 and name HN ))
3.600 3.600 2.400 peak 725 spectrum 1 weight 0.10000E+01 volume 0.14816E-02 ppm1 8.237 ppm2 -0.006 CV 1
OR { 725}
( segid "MRG " and resid 229 and name HD1%)
(( segid "MRG " and resid 230 and name HN ))
OR { 725}
(( segid "MRG " and resid 231 and name HG1 ))
(( segid "MRG " and resid 230 and name HN ))
ASSI { 743}
(( segid "MRG " and resid 233 and name HB1 ))
(( segid "MRG " and resid 232 and name HN ))
3.700 1.700 1.700 peak 743 spectrum 1 weight 0.10000E+01 volume 0.13738E-02 ppm1 8.307 ppm2 1.791 CV 1
OR { 743}
(( segid "MRG " and resid 228 and name HB1 ))
(( segid "MRG " and resid 232 and name HN ))
ASSI { 760}
(( segid "MRG " and resid 234 and name HA ))
(( segid "MRG " and resid 234 and name HN ))
3.300 1.400 1.400 peak 760 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 7.508 ppm2 4.488 CV 1
OR { 760}
(( segid "MRG " and resid 233 and name HA ))
(( segid "MRG " and resid 234 and name HN ))
ASSI { 761}
(( segid "MRG " and resid 231 and name HG1 ))
(( segid "MRG " and resid 234 and name HN ))
4.200 4.200 1.800 peak 761 spectrum 1 weight 0.10000E+01 volume 0.32337E-03 ppm1 7.512 ppm2 -0.007 CV 1
OR { 761}
( segid "MRG " and resid 229 and name HD2%)
(( segid "MRG " and resid 234 and name HN ))
OR { 761}
(( segid "MRG " and resid 265 and name HH11))
(( segid "MRG " and resid 234 and name HN ))
OR { 761}
(( segid "MRG " and resid 239 and name HH11))
(( segid "MRG " and resid 234 and name HN ))
OR { 761}
(( segid "MRG " and resid 239 and name HH12))
(( segid "MRG " and resid 234 and name HN ))
OR { 761}
( segid "MRG " and resid 229 and name HD1%)
(( segid "MRG " and resid 234 and name HN ))
OR { 761}
(( segid "MBD " and resid 104 and name HN ))
(( segid "MRG " and resid 234 and name HN ))
OR { 761}
(( segid "MRG " and resid 225 and name HZ ))
(( segid "MRG " and resid 234 and name HN ))
ASSI { 763}
(( segid "MRG " and resid 234 and name HB1 ))
(( segid "MRG " and resid 234 and name HN ))
3.100 1.200 1.200 peak 763 spectrum 1 weight 0.10000E+01 volume 0.25869E-02 ppm1 7.507 ppm2 1.390 CV 1
OR { 763}
(( segid "MRG " and resid 233 and name HB2 ))
(( segid "MRG " and resid 234 and name HN ))
ASSI { 785}
(( segid "MRG " and resid 236 and name HB1 ))
(( segid "MRG " and resid 237 and name HN ))
3.700 1.700 1.700 peak 785 spectrum 1 weight 0.10000E+01 volume 0.79960E-03 ppm1 8.950 ppm2 2.056 CV 1
OR { 785}
(( segid "MRG " and resid 239 and name HG1 ))
(( segid "MRG " and resid 237 and name HN ))
ASSI { 802}
(( segid "MRG " and resid 238 and name HB1 ))
(( segid "MRG " and resid 238 and name HN ))
2.700 0.900 0.900 peak 802 spectrum 1 weight 0.10000E+01 volume 0.30965E-02 ppm1 7.974 ppm2 2.726 CV 1
OR { 802}
(( segid "MRG " and resid 235 and name HB2 ))
(( segid "MRG " and resid 238 and name HN ))
OR { 802}
(( segid "MRG " and resid 238 and name HB2 ))
(( segid "MRG " and resid 238 and name HN ))
ASSI { 805}
(( segid "MRG " and resid 239 and name HG1 ))
(( segid "MRG " and resid 238 and name HN ))
4.900 3.000 1.100 peak 805 spectrum 1 weight 0.10000E+01 volume 0.57031E-03 ppm1 7.972 ppm2 2.075 CV 1
OR { 805}
(( segid "MRG " and resid 236 and name HB1 ))
(( segid "MRG " and resid 238 and name HN ))
ASSI { 823}
(( segid "MRG " and resid 240 and name HA ))
(( segid "MRG " and resid 241 and name HN ))
3.400 1.500 1.500 peak 823 spectrum 1 weight 0.10000E+01 volume 0.12347E-02 ppm1 7.782 ppm2 4.353 CV 1
OR { 823}
(( segid "MRG " and resid 264 and name HA ))
(( segid "MRG " and resid 263 and name HN ))
ASSI { 825}
(( segid "MRG " and resid 240 and name HD2 ))
(( segid "MRG " and resid 241 and name HN ))
3.000 1.200 1.200 peak 825 spectrum 1 weight 0.10000E+01 volume 0.12406E-02 ppm1 7.788 ppm2 3.639 CV 1
OR { 825}
(( segid "MRG " and resid 262 and name HA ))
(( segid "MRG " and resid 263 and name HN ))
ASSI { 831}
( segid "MRG " and resid 234 and name HD1%)
(( segid "MRG " and resid 242 and name HN ))
4.800 2.800 1.200 peak 831 spectrum 1 weight 0.10000E+01 volume 0.35080E-03 ppm1 7.925 ppm2 0.600 CV 1
OR { 831}
(( segid "MRG " and resid 174 and name HB2 ))
(( segid "MRG " and resid 176 and name HN ))
ASSI { 833}
(( segid "MRG " and resid 241 and name HA ))
(( segid "MRG " and resid 242 and name HN ))
3.200 1.300 1.300 peak 833 spectrum 1 weight 0.10000E+01 volume 0.13288E-02 ppm1 7.925 ppm2 4.237 CV 1
OR { 833}
(( segid "MRG " and resid 239 and name HA ))
(( segid "MRG " and resid 242 and name HN ))
ASSI { 836}
(( segid "MRG " and resid 241 and name HB1 ))
(( segid "MRG " and resid 242 and name HN ))
3.300 1.400 1.400 peak 836 spectrum 1 weight 0.10000E+01 volume 0.15933E-02 ppm1 7.923 ppm2 2.171 CV 1
OR { 836}
(( segid "MRG " and resid 241 and name HB2 ))
(( segid "MRG " and resid 242 and name HN ))
OR { 836}
(( segid "MRG " and resid 175 and name HG11))
(( segid "MRG " and resid 176 and name HN ))
ASSI { 845}
(( segid "MRG " and resid 290 and name HA ))
(( segid "MRG " and resid 290 and name HN ))
2.900 1.000 1.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.25085E-02 ppm1 8.176 ppm2 4.465 CV 1
OR { 845}
(( segid "MRG " and resid 242 and name HA ))
(( segid "MRG " and resid 243 and name HN ))
ASSI { 846}
(( segid "MRG " and resid 242 and name HB1 ))
(( segid "MRG " and resid 243 and name HN ))
2.500 0.800 0.800 peak 846 spectrum 1 weight 0.10000E+01 volume 0.40568E-02 ppm1 8.176 ppm2 3.250 CV 1
OR { 846}
(( segid "MRG " and resid 290 and name HB1 ))
(( segid "MRG " and resid 290 and name HN ))
ASSI { 847}
(( segid "MRG " and resid 290 and name HB2 ))
(( segid "MRG " and resid 290 and name HN ))
2.500 0.800 0.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.47623E-02 ppm1 8.176 ppm2 3.134 CV 1
OR { 847}
(( segid "MRG " and resid 242 and name HB2 ))
(( segid "MRG " and resid 243 and name HN ))
ASSI { 849}
(( segid "MRG " and resid 242 and name HN ))
(( segid "MRG " and resid 243 and name HN ))
2.300 0.700 0.700 peak 849 spectrum 1 weight 0.10000E+01 volume 0.76825E-02 ppm1 8.176 ppm2 7.941 CV 1
OR { 849}
(( segid "MRG " and resid 289 and name HN ))
(( segid "MRG " and resid 290 and name HN ))
ASSI { 865}
(( segid "MRG " and resid 245 and name HA ))
(( segid "MRG " and resid 245 and name HN ))
2.600 0.900 0.900 peak 865 spectrum 1 weight 0.10000E+01 volume 0.35864E-02 ppm1 8.077 ppm2 3.968 CV 1
OR { 865}
(( segid "MRG " and resid 244 and name HA ))
(( segid "MRG " and resid 245 and name HN ))
ASSI { 882}
(( segid "MRG " and resid 245 and name HA ))
(( segid "MRG " and resid 246 and name HN ))
3.200 1.300 1.300 peak 882 spectrum 1 weight 0.10000E+01 volume 0.16560E-02 ppm1 8.170 ppm2 3.966 CV 1
OR { 882}
(( segid "MRG " and resid 244 and name HA ))
(( segid "MRG " and resid 246 and name HN ))
OR { 882}
(( segid "MRG " and resid 247 and name HA ))
(( segid "MRG " and resid 246 and name HN ))
ASSI { 892}
( segid "MRG " and resid 254 and name HE% )
(( segid "MRG " and resid 246 and name HN ))
3.400 1.500 1.500 peak 892 spectrum 1 weight 0.10000E+01 volume 0.11641E-02 ppm1 8.173 ppm2 2.180 CV 1
OR { 892}
(( segid "MRG " and resid 248 and name HB2 ))
(( segid "MRG " and resid 246 and name HN ))
OR { 892}
(( segid "MRG " and resid 244 and name HG2 ))
(( segid "MRG " and resid 246 and name HN ))
ASSI { 893}
(( segid "MRG " and resid 247 and name HA ))
(( segid "MRG " and resid 247 and name HN ))
2.400 0.700 0.700 peak 893 spectrum 1 weight 0.10000E+01 volume 0.77019E-02 ppm1 7.248 ppm2 3.980 CV 1
OR { 893}
(( segid "MRG " and resid 244 and name HA ))
(( segid "MRG " and resid 247 and name HN ))
ASSI { 904}
(( segid "MRG " and resid 247 and name HA ))
(( segid "MRG " and resid 248 and name HN ))
2.800 1.000 1.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.44488E-02 ppm1 7.670 ppm2 3.976 CV 1
OR { 904}
(( segid "MRG " and resid 245 and name HA ))
(( segid "MRG " and resid 248 and name HN ))
ASSI { 906}
(( segid "MRG " and resid 246 and name HA ))
(( segid "MRG " and resid 248 and name HN ))
4.500 2.500 1.500 peak 906 spectrum 1 weight 0.10000E+01 volume 0.41548E-03 ppm1 7.669 ppm2 3.792 CV 1
OR { 906}
(( segid "MRG " and resid 316 and name HD2 ))
(( segid "MRG " and resid 319 and name HN ))
OR { 906}
(( segid "MRG " and resid 260 and name HA ))
(( segid "MRG " and resid 265 and name HN ))
ASSI { 912}
(( segid "MRG " and resid 248 and name HB2 ))
(( segid "MRG " and resid 248 and name HN ))
2.300 0.600 0.600 peak 912 spectrum 1 weight 0.10000E+01 volume 0.69379E-02 ppm1 7.670 ppm2 2.176 CV 1
OR { 912}
(( segid "MRG " and resid 264 and name HB1 ))
(( segid "MRG " and resid 265 and name HN ))
ASSI { 914}
(( segid "MRG " and resid 245 and name HA ))
(( segid "MRG " and resid 249 and name HN ))
3.300 1.400 1.400 peak 914 spectrum 1 weight 0.10000E+01 volume 0.13366E-02 ppm1 7.961 ppm2 3.972 CV 1
OR { 914}
(( segid "MRG " and resid 247 and name HA ))
(( segid "MRG " and resid 249 and name HN ))
ASSI { 948}
(( segid "MRG " and resid 252 and name HA ))
(( segid "MRG " and resid 252 and name HN ))
2.400 0.700 0.700 peak 948 spectrum 1 weight 0.10000E+01 volume 0.70554E-02 ppm1 7.316 ppm2 4.611 CV 1
OR { 948}
(( segid "MRG " and resid 251 and name HA ))
(( segid "MRG " and resid 252 and name HN ))
ASSI { 956}
( segid "MRG " and resid 254 and name HE% )
(( segid "MRG " and resid 252 and name HN ))
4.100 2.200 1.900 peak 956 spectrum 1 weight 0.10000E+01 volume 0.34492E-03 ppm1 7.314 ppm2 2.187 CV 1
OR { 956}
(( segid "MRG " and resid 185 and name HB1 ))
(( segid "MRG " and resid 252 and name HN ))
OR { 956}
(( segid "MRG " and resid 248 and name HB2 ))
(( segid "MRG " and resid 252 and name HN ))
ASSI { 970}
( segid "MRG " and resid 225 and name HE% )
(( segid "MRG " and resid 255 and name HN ))
3.900 1.900 1.900 peak 970 spectrum 1 weight 0.10000E+01 volume 0.81334E-03 ppm1 10.165 ppm2 6.781 CV 1
OR { 970}
(( segid "MRG " and resid 226 and name HD22))
(( segid "MRG " and resid 255 and name HN ))
ASSI { 998}
(( segid "MRG " and resid 257 and name HB ))
(( segid "MRG " and resid 257 and name HN ))
2.400 0.700 0.700 peak 998 spectrum 1 weight 0.10000E+01 volume 0.43116E-02 ppm1 7.768 ppm2 2.257 CV 1
OR { 998}
(( segid "MRG " and resid 256 and name HB1 ))
(( segid "MRG " and resid 257 and name HN ))
ASSI { 1002}
( segid "MRG " and resid 190 and name HG2%)
(( segid "MRG " and resid 258 and name HN ))
5.400 3.700 0.600 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.16384E-03 ppm1 8.384 ppm2 0.149 CV 1
OR { 1002}
( segid "MRG " and resid 190 and name HG2%)
(( segid "MRG " and resid 194 and name HN ))
ASSI { 1003}
(( segid "MRG " and resid 257 and name HA ))
(( segid "MRG " and resid 258 and name HN ))
3.300 1.400 1.400 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.12837E-02 ppm1 8.384 ppm2 3.957 CV 1
OR { 1003}
(( segid "MRG " and resid 255 and name HA ))
(( segid "MRG " and resid 258 and name HN ))
ASSI { 1004}
(( segid "MRG " and resid 257 and name HB ))
(( segid "MRG " and resid 258 and name HN ))
3.300 1.400 1.400 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.19990E-02 ppm1 8.385 ppm2 2.258 CV 1
OR { 1004}
(( segid "MRG " and resid 256 and name HB1 ))
(( segid "MRG " and resid 258 and name HN ))
ASSI { 1016}
( segid "MRG " and resid 186 and name HB% )
(( segid "MRG " and resid 260 and name HN ))
3.900 1.900 1.900 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.73296E-03 ppm1 9.105 ppm2 1.156 CV 1
OR { 1016}
(( segid "MRG " and resid 188 and name HG2 ))
(( segid "MRG " and resid 260 and name HN ))
ASSI { 1020}
(( segid "MRG " and resid 261 and name HD1 ))
(( segid "MRG " and resid 260 and name HN ))
2.800 1.000 1.000 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.36844E-02 ppm1 9.099 ppm2 3.578 CV 1
OR { 1020}
(( segid "MRG " and resid 259 and name HA2 ))
(( segid "MRG " and resid 260 and name HN ))
ASSI { 1024}
(( segid "MRG " and resid 261 and name HD1 ))
(( segid "MRG " and resid 262 and name HN ))
4.000 2.000 2.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.94463E-03 ppm1 6.962 ppm2 3.579 CV 1
OR { 1024}
(( segid "MRG " and resid 259 and name HA2 ))
(( segid "MRG " and resid 262 and name HN ))
ASSI { 1036}
(( segid "MRG " and resid 262 and name HB1 ))
(( segid "MRG " and resid 263 and name HN ))
3.500 1.500 1.500 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.97405E-03 ppm1 7.796 ppm2 2.922 CV 1
OR { 1036}
(( segid "MRG " and resid 262 and name HB2 ))
(( segid "MRG " and resid 263 and name HN ))
OR { 1036}
(( segid "MRG " and resid 258 and name HB1 ))
(( segid "MRG " and resid 263 and name HN ))
ASSI { 1041}
( segid "MRG " and resid 263 and name HD2%)
(( segid "MRG " and resid 263 and name HN ))
3.300 1.400 1.400 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.34296E-02 ppm1 7.796 ppm2 0.852 CV 1
OR { 1041}
( segid "MRG " and resid 181 and name HD1%)
(( segid "MRG " and resid 241 and name HN ))
ASSI { 1045}
(( segid "MRG " and resid 263 and name HG ))
(( segid "MRG " and resid 264 and name HN ))
3.900 1.900 1.900 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.11602E-02 ppm1 8.297 ppm2 1.793 CV 1
OR { 1045}
(( segid "MRG " and resid 265 and name HB1 ))
(( segid "MRG " and resid 264 and name HN ))
ASSI { 1048}
( segid "MRG " and resid 264 and name HD1%)
(( segid "MRG " and resid 264 and name HN ))
3.500 1.500 1.500 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.26262E-02 ppm1 8.296 ppm2 0.872 CV 1
OR { 1048}
( segid "MRG " and resid 263 and name HD2%)
(( segid "MRG " and resid 264 and name HN ))
ASSI { 1053}
( segid "MRG " and resid 298 and name HD1%)
(( segid "MRG " and resid 264 and name HN ))
3.700 1.700 1.700 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.74082E-03 ppm1 8.295 ppm2 0.613 CV 1
OR { 1053}
( segid "MRG " and resid 193 and name HD1%)
(( segid "MRG " and resid 264 and name HN ))
ASSI { 1064}
(( segid "MRG " and resid 265 and name HB2 ))
(( segid "MRG " and resid 266 and name HN ))
3.300 1.400 1.400 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.97792E-03 ppm1 7.429 ppm2 1.052 CV 1
OR { 1064}
( segid "MRG " and resid 268 and name HG2%)
(( segid "MRG " and resid 266 and name HN ))
ASSI { 1072}
( segid "MRG " and resid 270 and name HG2%)
(( segid "MRG " and resid 268 and name HN ))
3.800 1.800 1.800 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.10818E-02 ppm1 7.925 ppm2 0.707 CV 1
OR { 1072}
( segid "MRG " and resid 160 and name HD1%)
(( segid "MRG " and resid 268 and name HN ))
ASSI { 1079}
(( segid "MRG " and resid 268 and name HA ))
(( segid "MRG " and resid 269 and name HN ))
4.400 2.400 1.600 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.27829E-03 ppm1 6.969 ppm2 3.947 CV 1
OR { 1079}
(( segid "MRG " and resid 267 and name HA ))
(( segid "MRG " and resid 269 and name HN ))
ASSI { 1087}
(( segid "MRG " and resid 267 and name HA ))
(( segid "MRG " and resid 270 and name HN ))
3.700 1.700 1.700 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.80353E-03 ppm1 8.271 ppm2 3.957 CV 1
OR { 1087}
(( segid "MRG " and resid 268 and name HA ))
(( segid "MRG " and resid 270 and name HN ))
ASSI { 1091}
(( segid "MRG " and resid 270 and name HG11))
(( segid "MRG " and resid 270 and name HN ))
5.200 3.400 0.800 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.31749E-03 ppm1 8.269 ppm2 1.030 CV 1
OR { 1091}
( segid "MRG " and resid 268 and name HG2%)
(( segid "MRG " and resid 270 and name HN ))
ASSI { 1092}
(( segid "MRG " and resid 270 and name HG12))
(( segid "MRG " and resid 270 and name HN ))
3.700 1.700 1.700 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.16168E-02 ppm1 8.268 ppm2 0.815 CV 1
OR { 1092}
( segid "MRG " and resid 266 and name HD1%)
(( segid "MRG " and resid 270 and name HN ))
ASSI { 1095}
(( segid "MRG " and resid 268 and name HA ))
(( segid "MRG " and resid 271 and name HN ))
4.600 2.600 1.400 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.40176E-03 ppm1 8.924 ppm2 3.957 CV 1
OR { 1095}
(( segid "MRG " and resid 267 and name HA ))
(( segid "MRG " and resid 271 and name HN ))
ASSI { 1109}
(( segid "MRG " and resid 270 and name HG12))
(( segid "MRG " and resid 273 and name HN ))
5.000 3.200 1.000 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.18696E-03 ppm1 7.181 ppm2 0.811 CV 1
OR { 1109}
( segid "MRG " and resid 156 and name HG1%)
(( segid "MRG " and resid 273 and name HN ))
OR { 1109}
( segid "MRG " and resid 156 and name HG2%)
(( segid "MRG " and resid 273 and name HN ))
ASSI { 1128}
(( segid "MRG " and resid 276 and name HA ))
(( segid "MRG " and resid 276 and name HN ))
2.800 1.000 1.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.31552E-02 ppm1 7.365 ppm2 4.455 CV 1
OR { 1128}
(( segid "MRG " and resid 273 and name HA ))
(( segid "MRG " and resid 276 and name HN ))
ASSI { 1129}
(( segid "MRG " and resid 274 and name HA ))
(( segid "MRG " and resid 276 and name HN ))
3.500 1.600 1.600 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.12621E-02 ppm1 7.365 ppm2 4.102 CV 1
OR { 1129}
(( segid "MRG " and resid 277 and name HA ))
(( segid "MRG " and resid 276 and name HN ))
ASSI { 1141}
(( segid "MRG " and resid 277 and name HA ))
(( segid "MRG " and resid 277 and name HN ))
3.100 1.200 1.200 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.14973E-02 ppm1 7.538 ppm2 4.091 CV 1
OR { 1141}
(( segid "MRG " and resid 274 and name HA ))
(( segid "MRG " and resid 277 and name HN ))
ASSI { 1157}
(( segid "MRG " and resid 279 and name HB1 ))
(( segid "MRG " and resid 280 and name HN ))
2.200 0.600 0.600 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.75257E-02 ppm1 8.084 ppm2 1.569 CV 1
OR { 1157}
(( segid "MRG " and resid 296 and name HG1 ))
(( segid "MRG " and resid 296 and name HN ))
ASSI { 1158}
(( segid "MRG " and resid 279 and name HB2 ))
(( segid "MRG " and resid 280 and name HN ))
3.000 1.100 1.100 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.81722E-02 ppm1 8.084 ppm2 1.388 CV 1
OR { 1158}
(( segid "MRG " and resid 296 and name HG2 ))
(( segid "MRG " and resid 296 and name HN ))
ASSI { 1160}
( segid "MBD " and resid 90 and name HD1%)
(( segid "MRG " and resid 280 and name HN ))
2.900 1.100 1.100 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.67025E-02 ppm1 8.082 ppm2 0.790 CV 1
OR { 1160}
( segid "MRG " and resid 279 and name HD1%)
(( segid "MRG " and resid 280 and name HN ))
ASSI { 1176}
(( segid "MRG " and resid 281 and name HA ))
(( segid "MRG " and resid 282 and name HN ))
3.000 1.100 1.100 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.26262E-02 ppm1 8.215 ppm2 3.899 CV 1
OR { 1176}
(( segid "MRG " and resid 283 and name HB1 ))
(( segid "MRG " and resid 282 and name HN ))
ASSI { 1178}
(( segid "MRG " and resid 281 and name HG2 ))
(( segid "MRG " and resid 282 and name HN ))
4.000 2.000 2.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.70748E-03 ppm1 8.215 ppm2 2.278 CV 1
OR { 1178}
(( segid "MRG " and resid 239 and name HB1 ))
(( segid "MRG " and resid 243 and name HN ))
ASSI { 1202}
(( segid "MRG " and resid 280 and name HN ))
(( segid "MRG " and resid 284 and name HN ))
3.800 1.800 1.800 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.59380E-03 ppm1 8.611 ppm2 8.053 CV 1
OR { 1202}
(( segid "MRG " and resid 287 and name HN ))
(( segid "MRG " and resid 284 and name HN ))
ASSI { 1203}
(( segid "MRG " and resid 284 and name HA ))
(( segid "MRG " and resid 284 and name HN ))
2.600 0.900 0.900 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.37432E-02 ppm1 8.612 ppm2 3.939 CV 1
OR { 1203}
(( segid "MRG " and resid 283 and name HB1 ))
(( segid "MRG " and resid 284 and name HN ))
ASSI { 1210}
(( segid "MRG " and resid 284 and name HG ))
(( segid "MRG " and resid 284 and name HN ))
3.500 1.500 1.500 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.26457E-02 ppm1 8.612 ppm2 1.536 CV 1
OR { 1210}
(( segid "MRG " and resid 282 and name HG1 ))
(( segid "MRG " and resid 284 and name HN ))
ASSI { 1213}
(( segid "MRG " and resid 281 and name HA ))
(( segid "MRG " and resid 285 and name HN ))
3.000 1.100 1.100 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.28613E-02 ppm1 7.739 ppm2 3.890 CV 1
OR { 1213}
(( segid "MRG " and resid 283 and name HB1 ))
(( segid "MRG " and resid 285 and name HN ))
ASSI { 1216}
(( segid "MRG " and resid 285 and name HA ))
(( segid "MRG " and resid 285 and name HN ))
2.600 0.800 0.800 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.56832E-02 ppm1 7.739 ppm2 3.972 CV 1
OR { 1216}
(( segid "MRG " and resid 284 and name HA ))
(( segid "MRG " and resid 285 and name HN ))
ASSI { 1217}
(( segid "MRG " and resid 284 and name HB1 ))
(( segid "MRG " and resid 285 and name HN ))
2.500 0.800 0.800 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.52915E-02 ppm1 7.741 ppm2 1.712 CV 1
OR { 1217}
(( segid "MRG " and resid 286 and name HB1 ))
(( segid "MRG " and resid 285 and name HN ))
ASSI { 1223}
(( segid "MRG " and resid 285 and name HA ))
(( segid "MRG " and resid 286 and name HN ))
3.100 1.200 1.200 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.32925E-02 ppm1 7.549 ppm2 3.972 CV 1
OR { 1223}
(( segid "MRG " and resid 287 and name HA ))
(( segid "MRG " and resid 286 and name HN ))
ASSI { 1232}
(( segid "MRG " and resid 287 and name HA ))
(( segid "MRG " and resid 287 and name HN ))
2.800 1.000 1.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.28613E-02 ppm1 8.046 ppm2 3.971 CV 1
OR { 1232}
(( segid "MRG " and resid 284 and name HA ))
(( segid "MRG " and resid 287 and name HN ))
ASSI { 1238}
(( segid "MRG " and resid 287 and name HA ))
(( segid "MRG " and resid 288 and name HN ))
3.200 1.300 1.300 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.14052E-02 ppm1 8.776 ppm2 3.972 CV 1
OR { 1238}
(( segid "MRG " and resid 284 and name HA ))
(( segid "MRG " and resid 288 and name HN ))
OR { 1238}
(( segid "MRG " and resid 285 and name HA ))
(( segid "MRG " and resid 288 and name HN ))
ASSI { 1243}
(( segid "MRG " and resid 288 and name HG ))
(( segid "MRG " and resid 288 and name HN ))
3.100 1.200 1.200 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.33512E-02 ppm1 8.779 ppm2 1.690 CV 1
OR { 1243}
(( segid "MRG " and resid 286 and name HG ))
(( segid "MRG " and resid 288 and name HN ))
ASSI { 1254}
(( segid "MRG " and resid 287 and name HA ))
(( segid "MRG " and resid 289 and name HN ))
3.100 1.200 1.200 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.19794E-02 ppm1 7.954 ppm2 3.992 CV 1
OR { 1254}
(( segid "MRG " and resid 285 and name HA ))
(( segid "MRG " and resid 289 and name HN ))
ASSI { 1279}
(( segid "MRG " and resid 290 and name HB1 ))
(( segid "MRG " and resid 291 and name HN ))
4.400 2.400 1.600 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.59380E-03 ppm1 9.006 ppm2 3.254 CV 1
OR { 1279}
(( segid "MRG " and resid 292 and name HB2 ))
(( segid "MRG " and resid 291 and name HN ))
ASSI { 1289}
( segid "MRG " and resid 291 and name HD2%)
(( segid "MRG " and resid 292 and name HN ))
3.400 1.400 1.400 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.80154E-03 ppm1 8.598 ppm2 0.696 CV 1
OR { 1289}
( segid "MRG " and resid 295 and name HD1%)
(( segid "MRG " and resid 292 and name HN ))
OR { 1289}
( segid "MRG " and resid 288 and name HD2%)
(( segid "MRG " and resid 292 and name HN ))
ASSI { 1290}
(( segid "MRG " and resid 289 and name HA ))
(( segid "MRG " and resid 292 and name HN ))
3.800 1.800 1.800 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.62128E-03 ppm1 8.598 ppm2 4.507 CV 1
OR { 1290}
(( segid "MRG " and resid 290 and name HA ))
(( segid "MRG " and resid 292 and name HN ))
ASSI { 1295}
( segid "MRG " and resid 291 and name HD1%)
(( segid "MRG " and resid 292 and name HN ))
4.000 2.000 2.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.36060E-03 ppm1 8.600 ppm2 0.819 CV 1
OR { 1295}
( segid "MRG " and resid 288 and name HD1%)
(( segid "MRG " and resid 292 and name HN ))
OR { 1295}
( segid "MRG " and resid 158 and name HG1%)
(( segid "MRG " and resid 292 and name HN ))
ASSI { 1299}
(( segid "MRG " and resid 290 and name HA ))
(( segid "MRG " and resid 293 and name HN ))
3.000 1.100 1.100 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.22538E-02 ppm1 8.234 ppm2 4.507 CV 1
OR { 1299}
(( segid "MRG " and resid 289 and name HA ))
(( segid "MRG " and resid 293 and name HN ))
ASSI { 1300}
(( segid "MRG " and resid 292 and name HA ))
(( segid "MRG " and resid 293 and name HN ))
3.000 1.100 1.100 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.26849E-02 ppm1 8.247 ppm2 4.361 CV 1
OR { 1300}
(( segid "MRG " and resid 196 and name HA ))
(( segid "MRG " and resid 197 and name HN ))
ASSI { 1304}
(( segid "MRG " and resid 293 and name HB1 ))
(( segid "MRG " and resid 293 and name HN ))
2.600 0.800 0.800 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.60560E-02 ppm1 8.247 ppm2 3.164 CV 1
OR { 1304}
(( segid "MRG " and resid 196 and name HB1 ))
(( segid "MRG " and resid 197 and name HN ))
ASSI { 1305}
(( segid "MRG " and resid 293 and name HB2 ))
(( segid "MRG " and resid 293 and name HN ))
2.400 0.700 0.700 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.64676E-02 ppm1 8.247 ppm2 2.864 CV 1
OR { 1305}
(( segid "MRG " and resid 196 and name HB2 ))
(( segid "MRG " and resid 197 and name HN ))
ASSI { 1317}
(( segid "MRG " and resid 294 and name HA ))
(( segid "MRG " and resid 295 and name HN ))
3.700 1.700 1.700 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.90934E-03 ppm1 8.088 ppm2 3.892 CV 1
OR { 1317}
(( segid "MRG " and resid 296 and name HA ))
(( segid "MRG " and resid 295 and name HN ))
ASSI { 1328}
(( segid "MRG " and resid 296 and name HA ))
(( segid "MRG " and resid 296 and name HN ))
2.500 0.800 0.800 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.60167E-02 ppm1 8.086 ppm2 3.880 CV 1
OR { 1328}
(( segid "MRG " and resid 294 and name HA ))
(( segid "MRG " and resid 296 and name HN ))
ASSI { 1333}
(( segid "MRG " and resid 295 and name HA ))
(( segid "MRG " and resid 297 and name HN ))
3.700 1.700 1.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.13091E-02 ppm1 7.687 ppm2 3.396 CV 1
OR { 1333}
(( segid "MRG " and resid 298 and name HA ))
(( segid "MRG " and resid 297 and name HN ))
ASSI { 1336}
(( segid "MRG " and resid 297 and name HA ))
(( segid "MRG " and resid 297 and name HN ))
2.600 0.900 0.900 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.40176E-02 ppm1 7.686 ppm2 3.890 CV 1
OR { 1336}
(( segid "MRG " and resid 296 and name HA ))
(( segid "MRG " and resid 297 and name HN ))
ASSI { 1341}
(( segid "MRG " and resid 298 and name HA ))
(( segid "MRG " and resid 298 and name HN ))
2.900 1.000 1.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.24693E-02 ppm1 7.946 ppm2 3.407 CV 1
OR { 1341}
(( segid "MRG " and resid 295 and name HA ))
(( segid "MRG " and resid 298 and name HN ))
ASSI { 1342}
(( segid "MRG " and resid 297 and name HA ))
(( segid "MRG " and resid 298 and name HN ))
3.700 1.700 1.700 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.69379E-03 ppm1 7.944 ppm2 3.898 CV 1
OR { 1342}
(( segid "MRG " and resid 294 and name HA ))
(( segid "MRG " and resid 298 and name HN ))
ASSI { 1354}
(( segid "MRG " and resid 296 and name HA ))
(( segid "MRG " and resid 299 and name HN ))
3.000 1.100 1.100 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.24889E-02 ppm1 8.163 ppm2 3.882 CV 1
OR { 1354}
(( segid "MRG " and resid 297 and name HA ))
(( segid "MRG " and resid 299 and name HN ))
ASSI { 1355}
(( segid "MRG " and resid 298 and name HA ))
(( segid "MRG " and resid 299 and name HN ))
3.500 1.500 1.500 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.10211E-02 ppm1 8.161 ppm2 3.415 CV 1
OR { 1355}
(( segid "MRG " and resid 295 and name HA ))
(( segid "MRG " and resid 299 and name HN ))
ASSI { 1356}
(( segid "MRG " and resid 298 and name HB1 ))
(( segid "MRG " and resid 299 and name HN ))
2.800 1.000 1.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.35668E-02 ppm1 8.163 ppm2 1.789 CV 1
OR { 1356}
(( segid "MRG " and resid 300 and name HB1 ))
(( segid "MRG " and resid 299 and name HN ))
ASSI { 1359}
( segid "MRG " and resid 164 and name HD2%)
(( segid "MRG " and resid 299 and name HN ))
2.800 1.000 1.000 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.24889E-02 ppm1 8.164 ppm2 0.588 CV 1
OR { 1359}
( segid "MRG " and resid 298 and name HD2%)
(( segid "MRG " and resid 299 and name HN ))
ASSI { 1363}
(( segid "MRG " and resid 297 and name HA ))
(( segid "MRG " and resid 300 and name HN ))
3.000 1.100 1.100 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.22538E-02 ppm1 8.162 ppm2 3.886 CV 1
OR { 1363}
(( segid "MRG " and resid 296 and name HA ))
(( segid "MRG " and resid 300 and name HN ))
ASSI { 1366}
( segid "MRG " and resid 299 and name HB% )
(( segid "MRG " and resid 300 and name HN ))
2.600 0.900 0.900 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.63695E-02 ppm1 8.164 ppm2 1.378 CV 1
OR { 1366}
(( segid "MRG " and resid 300 and name HG2 ))
(( segid "MRG " and resid 300 and name HN ))
ASSI { 1385}
(( segid "MRG " and resid 300 and name HG2 ))
(( segid "MRG " and resid 301 and name HN ))
3.500 1.600 1.600 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.18207E-02 ppm1 7.110 ppm2 1.373 CV 1
OR { 1385}
( segid "MRG " and resid 299 and name HB% )
(( segid "MRG " and resid 301 and name HN ))
ASSI { 1389}
(( segid "MRG " and resid 301 and name HB2 ))
(( segid "MRG " and resid 301 and name HN ))
2.300 0.700 0.700 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.61147E-02 ppm1 7.110 ppm2 1.776 CV 1
OR { 1389}
(( segid "MRG " and resid 300 and name HB1 ))
(( segid "MRG " and resid 301 and name HN ))
ASSI { 1397}
(( segid "MRG " and resid 300 and name HN ))
(( segid "MRG " and resid 302 and name HN ))
5.400 3.600 0.600 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.13973E-03 ppm1 7.376 ppm2 8.161 CV 1
OR { 1397}
(( segid "MRG " and resid 299 and name HN ))
(( segid "MRG " and resid 302 and name HN ))
ASSI { 1400}
(( segid "MRG " and resid 301 and name HB2 ))
(( segid "MRG " and resid 302 and name HN ))
3.600 1.600 1.600 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.15815E-02 ppm1 7.373 ppm2 1.781 CV 1
OR { 1400}
(( segid "MRG " and resid 300 and name HB1 ))
(( segid "MRG " and resid 302 and name HN ))
ASSI { 1403}
(( segid "MRG " and resid 302 and name HB1 ))
(( segid "MRG " and resid 302 and name HN ))
2.300 0.600 0.600 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.92502E-02 ppm1 7.359 ppm2 4.190 CV 1
OR { 1403}
(( segid "MRG " and resid 321 and name HA ))
(( segid "MRG " and resid 321 and name HN ))
OR { 1403}
(( segid "MRG " and resid 302 and name HB2 ))
(( segid "MRG " and resid 302 and name HN ))
ASSI { 1407}
(( segid "MRG " and resid 302 and name HN ))
(( segid "MRG " and resid 303 and name HN ))
2.400 0.700 0.700 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.57031E-02 ppm1 8.418 ppm2 7.363 CV 1
OR { 1407}
(( segid "MRG " and resid 304 and name HN ))
(( segid "MRG " and resid 303 and name HN ))
ASSI { 1420}
(( segid "MRG " and resid 304 and name HA ))
(( segid "MRG " and resid 304 and name HN ))
2.700 0.900 0.900 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.42136E-02 ppm1 7.355 ppm2 4.301 CV 1
OR { 1420}
(( segid "MRG " and resid 303 and name HA ))
(( segid "MRG " and resid 304 and name HN ))
ASSI { 1434}
(( segid "MRG " and resid 305 and name HG ))
(( segid "MRG " and resid 305 and name HN ))
3.200 1.300 1.300 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.34296E-02 ppm1 7.220 ppm2 1.465 CV 1
OR { 1434}
( segid "MRG " and resid 303 and name HB% )
(( segid "MRG " and resid 305 and name HN ))
ASSI { 1444}
(( segid "MRG " and resid 305 and name HG ))
(( segid "MRG " and resid 306 and name HN ))
3.700 1.700 1.700 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.12033E-02 ppm1 7.467 ppm2 1.464 CV 1
OR { 1444}
( segid "MRG " and resid 303 and name HB% )
(( segid "MRG " and resid 306 and name HN ))
ASSI { 1446}
( segid "MRG " and resid 305 and name HD1%)
(( segid "MRG " and resid 306 and name HN ))
3.100 3.100 2.900 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.83289E-03 ppm1 7.469 ppm2 0.637 CV 1
OR { 1446}
( segid "MRG " and resid 193 and name HD1%)
(( segid "MRG " and resid 306 and name HN ))
ASSI { 1475}
(( segid "MRG " and resid 309 and name HA ))
(( segid "MRG " and resid 309 and name HN ))
2.700 0.900 0.900 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.40568E-02 ppm1 8.447 ppm2 4.445 CV 1
OR { 1475}
(( segid "MRG " and resid 308 and name HA ))
(( segid "MRG " and resid 309 and name HN ))
ASSI { 1480}
(( segid "MRG " and resid 308 and name HA ))
(( segid "MRG " and resid 310 and name HN ))
3.000 1.100 1.100 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.21558E-02 ppm1 7.512 ppm2 4.445 CV 1
OR { 1480}
(( segid "MRG " and resid 309 and name HA ))
(( segid "MRG " and resid 310 and name HN ))
ASSI { 1503}
(( segid "MRG " and resid 311 and name HB2 ))
(( segid "MRG " and resid 311 and name HN ))
2.600 0.900 0.900 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.25282E-02 ppm1 7.601 ppm2 2.724 CV 1
OR { 1503}
(( segid "MRG " and resid 310 and name HB1 ))
(( segid "MRG " and resid 311 and name HN ))
ASSI { 1507}
(( segid "MRG " and resid 180 and name HB2 ))
(( segid "MRG " and resid 312 and name HN ))
4.700 2.700 1.300 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.42724E-03 ppm1 8.982 ppm2 1.468 CV 1
OR { 1507}
(( segid "MRG " and resid 181 and name HB1 ))
(( segid "MRG " and resid 312 and name HN ))
ASSI { 1524}
(( segid "MRG " and resid 312 and name HB2 ))
(( segid "MRG " and resid 313 and name HN ))
2.900 1.100 1.100 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.45272E-02 ppm1 8.438 ppm2 1.869 CV 1
OR { 1524}
(( segid "MRG " and resid 180 and name HG2 ))
(( segid "MRG " and resid 313 and name HN ))
ASSI { 1525}
(( segid "MRG " and resid 312 and name HG1 ))
(( segid "MRG " and resid 313 and name HN ))
3.400 1.500 1.500 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.27437E-02 ppm1 8.438 ppm2 2.220 CV 1
OR { 1525}
(( segid "MRG " and resid 312 and name HG2 ))
(( segid "MRG " and resid 313 and name HN ))
OR { 1525}
(( segid "MRG " and resid 180 and name HG1 ))
(( segid "MRG " and resid 313 and name HN ))
ASSI { 1537}
(( segid "MRG " and resid 313 and name HB ))
(( segid "MRG " and resid 314 and name HN ))
3.600 1.600 1.600 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.16090E-02 ppm1 8.372 ppm2 2.032 CV 1
OR { 1537}
(( segid "MRG " and resid 179 and name HB1 ))
(( segid "MRG " and resid 314 and name HN ))
ASSI { 1547}
(( segid "MRG " and resid 316 and name HG1 ))
(( segid "MRG " and resid 317 and name HN ))
3.800 1.800 1.800 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.23125E-02 ppm1 9.357 ppm2 2.200 CV 1
OR { 1547}
(( segid "MRG " and resid 315 and name HG1 ))
(( segid "MRG " and resid 317 and name HN ))
ASSI { 1550}
(( segid "MRG " and resid 317 and name HG2 ))
(( segid "MRG " and resid 317 and name HN ))
2.600 0.900 0.900 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.24693E-02 ppm1 9.357 ppm2 2.269 CV 1
OR { 1550}
(( segid "MRG " and resid 315 and name HB2 ))
(( segid "MRG " and resid 317 and name HN ))
ASSI { 1557}
(( segid "MRG " and resid 317 and name HG2 ))
(( segid "MRG " and resid 318 and name HN ))
2.700 0.900 0.900 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.34885E-02 ppm1 8.036 ppm2 2.289 CV 1
OR { 1557}
(( segid "MRG " and resid 315 and name HB2 ))
(( segid "MRG " and resid 318 and name HN ))
ASSI { 1558}
(( segid "MRG " and resid 316 and name HA ))
(( segid "MRG " and resid 318 and name HN ))
3.900 1.900 1.900 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.71141E-03 ppm1 8.038 ppm2 4.233 CV 1
OR { 1558}
(( segid "MRG " and resid 319 and name HA ))
(( segid "MRG " and resid 318 and name HN ))
ASSI { 1561}
(( segid "MRG " and resid 317 and name HB1 ))
(( segid "MRG " and resid 318 and name HN ))
2.600 0.900 0.900 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.51543E-02 ppm1 8.038 ppm2 2.030 CV 1
OR { 1561}
(( segid "MRG " and resid 317 and name HB2 ))
(( segid "MRG " and resid 318 and name HN ))
OR { 1561}
(( segid "MRG " and resid 315 and name HG2 ))
(( segid "MRG " and resid 318 and name HN ))
ASSI { 1569}
( segid "MRG " and resid 314 and name HB% )
(( segid "MRG " and resid 319 and name HN ))
4.300 2.300 1.700 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.82508E-03 ppm1 7.646 ppm2 1.290 CV 1
OR { 1569}
(( segid "MRG " and resid 246 and name HB2 ))
(( segid "MRG " and resid 248 and name HN ))
ASSI { 1570}
(( segid "MRG " and resid 317 and name HB1 ))
(( segid "MRG " and resid 319 and name HN ))
4.500 2.500 1.500 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.53111E-03 ppm1 7.645 ppm2 2.029 CV 1
OR { 1570}
(( segid "MRG " and resid 317 and name HB2 ))
(( segid "MRG " and resid 319 and name HN ))
OR { 1570}
(( segid "MRG " and resid 315 and name HG2 ))
(( segid "MRG " and resid 319 and name HN ))
ASSI { 1575}
(( segid "MRG " and resid 319 and name HA ))
(( segid "MRG " and resid 319 and name HN ))
2.700 0.900 0.900 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.30377E-02 ppm1 7.645 ppm2 4.212 CV 1
OR { 1575}
(( segid "MRG " and resid 316 and name HA ))
(( segid "MRG " and resid 319 and name HN ))
ASSI { 1576}
(( segid "MRG " and resid 319 and name HD2 ))
(( segid "MRG " and resid 319 and name HN ))
2.700 0.900 0.900 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.20382E-02 ppm1 7.643 ppm2 7.231 CV 1
OR { 1576}
(( segid "MRG " and resid 247 and name HN ))
(( segid "MRG " and resid 248 and name HN ))
ASSI { 1584}
(( segid "MRG " and resid 320 and name HA ))
(( segid "MRG " and resid 320 and name HN ))
2.500 0.800 0.800 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.62322E-02 ppm1 7.478 ppm2 4.192 CV 1
OR { 1584}
(( segid "MRG " and resid 319 and name HA ))
(( segid "MRG " and resid 320 and name HN ))
ASSI { 1598}
(( segid "MRG " and resid 322 and name HN ))
(( segid "MRG " and resid 321 and name HN ))
2.100 0.500 0.500 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.11288E-01 ppm1 7.344 ppm2 7.488 CV 1
OR { 1598}
(( segid "MRG " and resid 320 and name HN ))
(( segid "MRG " and resid 321 and name HN ))
ASSI { 1600}
(( segid "MRG " and resid 320 and name HB2 ))
(( segid "MRG " and resid 321 and name HN ))
2.900 1.100 1.100 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.16600E-02 ppm1 7.342 ppm2 1.808 CV 1
OR { 1600}
(( segid "MRG " and resid 301 and name HB2 ))
(( segid "MRG " and resid 302 and name HN ))
ASSI { 1604}
(( segid "MRG " and resid 321 and name HA ))
(( segid "MRG " and resid 322 and name HN ))
2.600 0.800 0.800 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.49779E-02 ppm1 7.499 ppm2 4.192 CV 1
OR { 1604}
(( segid "MRG " and resid 319 and name HA ))
(( segid "MRG " and resid 322 and name HN ))
ASSI { 1606}
(( segid "MRG " and resid 321 and name HB2 ))
(( segid "MRG " and resid 322 and name HN ))
3.400 1.500 1.500 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.23518E-02 ppm1 7.497 ppm2 1.540 CV 1
OR { 1606}
(( segid "MRG " and resid 240 and name HG2 ))
(( segid "MRG " and resid 322 and name HN ))
ASSI { 1607}
(( segid "MRG " and resid 323 and name HN ))
(( segid "MRG " and resid 322 and name HN ))
2.200 0.600 0.600 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.99360E-02 ppm1 7.498 ppm2 7.319 CV 1
OR { 1607}
(( segid "MRG " and resid 321 and name HN ))
(( segid "MRG " and resid 322 and name HN ))
ASSI { 1613}
(( segid "MRG " and resid 321 and name HA ))
(( segid "MRG " and resid 323 and name HN ))
3.100 1.200 1.200 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.28809E-02 ppm1 7.294 ppm2 4.192 CV 1
OR { 1613}
(( segid "MRG " and resid 320 and name HA ))
(( segid "MRG " and resid 323 and name HN ))
OR { 1613}
(( segid "MRG " and resid 319 and name HA ))
(( segid "MRG " and resid 323 and name HN ))
ASSI { 1619}
(( segid "MRG " and resid 191 and name HN ))
(( segid "MRG " and resid 189 and name HD21))
3.900 1.900 1.900 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.43899E-03 ppm1 7.585 ppm2 7.844 CV 1
OR { 1619}
(( segid "MRG " and resid 190 and name HN ))
(( segid "MRG " and resid 189 and name HD21))
ASSI { 1622}
(( segid "MRG " and resid 166 and name HB2 ))
(( segid "MRG " and resid 167 and name HN ))
3.900 1.900 1.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.32532E-03 ppm1 6.865 ppm2 1.581 CV 1
OR { 1622}
(( segid "MRG " and resid 168 and name HB2 ))
(( segid "MRG " and resid 167 and name HN ))
ASSI { 1623}
(( segid "MRG " and resid 177 and name HB1 ))
(( segid "MRG " and resid 179 and name HN ))
4.100 2.100 1.900 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.80547E-03 ppm1 6.698 ppm2 1.695 CV 1
OR { 1623}
(( segid "MRG " and resid 177 and name HB2 ))
(( segid "MRG " and resid 179 and name HN ))
OR { 1623}
(( segid "MRG " and resid 174 and name HB1 ))
(( segid "MRG " and resid 179 and name HN ))
ASSI { 1626}
( segid "MRG " and resid 218 and name HG1%)
(( segid "MRG " and resid 198 and name HN ))
2.900 1.100 1.100 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.19500E-02 ppm1 8.423 ppm2 1.131 CV 1
OR { 1626}
(( segid "MRG " and resid 201 and name HG1 ))
(( segid "MRG " and resid 198 and name HN ))
ASSI { 1633}
( segid "MRG " and resid 279 and name HD2%)
(( segid "MRG " and resid 284 and name HN ))
4.200 2.200 1.800 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.70554E-03 ppm1 8.609 ppm2 0.770 CV 1
OR { 1633}
( segid "MRG " and resid 257 and name HG1%)
(( segid "MRG " and resid 259 and name HN ))
OR { 1633}
( segid "MRG " and resid 279 and name HD1%)
(( segid "MRG " and resid 284 and name HN ))
ASSI { 1640}
(( segid "MRG " and resid 255 and name HA ))
(( segid "MRG " and resid 256 and name HN ))
3.000 1.100 1.100 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.23714E-02 ppm1 7.865 ppm2 3.940 CV 1
OR { 1640}
(( segid "MRG " and resid 257 and name HA ))
(( segid "MRG " and resid 256 and name HN ))
ASSI { 24}
(( segid "MBD " and resid 103 and name HG1 ))
(( segid "MBD " and resid 103 and name HD1 ))
2.000 0.500 0.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.17124E-01 ppm1 3.124 ppm2 1.570 CV 1
OR { 24}
(( segid "MBD " and resid 70 and name HG2 ))
(( segid "MBD " and resid 70 and name HD2 ))
OR { 24}
(( segid "MBD " and resid 70 and name HG1 ))
(( segid "MBD " and resid 70 and name HD1 ))
OR { 24}
(( segid "MBD " and resid 70 and name HG1 ))
(( segid "MBD " and resid 70 and name HD2 ))
OR { 24}
(( segid "MBD " and resid 70 and name HG2 ))
(( segid "MBD " and resid 70 and name HD1 ))
OR { 24}
(( segid "MBD " and resid 103 and name HG1 ))
(( segid "MBD " and resid 103 and name HD2 ))
OR { 24}
(( segid "MBD " and resid 116 and name HG2 ))
(( segid "MBD " and resid 116 and name HD2 ))
ASSI { 27}
(( segid "MBD " and resid 70 and name HB2 ))
(( segid "MBD " and resid 70 and name HG1 ))
2.000 0.500 0.500 peak 27 spectrum 1 weight 0.10000E+01 volume 0.22664E-01 ppm1 1.560 ppm2 1.707 CV 1
OR { 27}
(( segid "MBD " and resid 103 and name HB1 ))
(( segid "MBD " and resid 103 and name HG1 ))
OR { 27}
(( segid "MBD " and resid 70 and name HB2 ))
(( segid "MBD " and resid 70 and name HG2 ))
ASSI { 28}
(( segid "MBD " and resid 70 and name HD2 ))
(( segid "MBD " and resid 70 and name HG2 ))
2.200 0.600 0.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.92841E-02 ppm1 1.548 ppm2 3.117 CV 1
OR { 28}
(( segid "MBD " and resid 70 and name HD1 ))
(( segid "MBD " and resid 70 and name HG1 ))
OR { 28}
(( segid "MBD " and resid 70 and name HD2 ))
(( segid "MBD " and resid 70 and name HG1 ))
OR { 28}
(( segid "MBD " and resid 70 and name HD1 ))
(( segid "MBD " and resid 70 and name HG2 ))
OR { 28}
(( segid "MBD " and resid 103 and name HD2 ))
(( segid "MBD " and resid 103 and name HG1 ))
ASSI { 42}
( segid "MBD " and resid 115 and name HG2%)
(( segid "MBD " and resid 114 and name HB2 ))
2.600 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.18131E-02 ppm1 1.931 ppm2 0.856 CV 1
OR { 42}
( segid "MBD " and resid 72 and name HG2%)
(( segid "MBD " and resid 71 and name HB2 ))
ASSI { 45}
(( segid "MBD " and resid 71 and name HB2 ))
(( segid "MBD " and resid 71 and name HG2 ))
2.000 0.500 0.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.20986E-01 ppm1 2.298 ppm2 1.940 CV 1
OR { 45}
(( segid "MBD " and resid 113 and name HB2 ))
(( segid "MBD " and resid 113 and name HG1 ))
OR { 45}
(( segid "MBD " and resid 113 and name HB2 ))
(( segid "MBD " and resid 113 and name HG2 ))
OR { 45}
(( segid "MBD " and resid 113 and name HB1 ))
(( segid "MBD " and resid 113 and name HG1 ))
OR { 45}
(( segid "MBD " and resid 71 and name HB2 ))
(( segid "MBD " and resid 71 and name HG1 ))
ASSI { 54}
(( segid "MBD " and resid 73 and name HD1 ))
(( segid "MBD " and resid 72 and name HB ))
3.000 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.29380E-02 ppm1 2.009 ppm2 3.760 CV 1
OR { 54}
(( segid "MBD " and resid 115 and name HA ))
(( segid "MBD " and resid 115 and name HB ))
OR { 54}
(( segid "MBD " and resid 82 and name HB2 ))
(( segid "MBD " and resid 87 and name HB1 ))
ASSI { 63}
(( segid "MBD " and resid 72 and name HA ))
( segid "MBD " and resid 72 and name HG2%)
3.200 1.300 1.300 peak 63 spectrum 1 weight 0.10000E+01 volume 0.30890E-02 ppm1 0.866 ppm2 4.365 CV 1
OR { 63}
(( segid "MBD " and resid 71 and name HA ))
( segid "MBD " and resid 72 and name HG2%)
ASSI { 65}
(( segid "MBD " and resid 73 and name HD1 ))
( segid "MBD " and resid 72 and name HG2%)
5.600 3.900 0.400 peak 65 spectrum 1 weight 0.10000E+01 volume 0.12373E-03 ppm1 0.870 ppm2 3.767 CV 1
OR { 65}
(( segid "MBD " and resid 74 and name HB2 ))
( segid "MBD " and resid 72 and name HG2%)
ASSI { 67}
(( segid "MBD " and resid 73 and name HB2 ))
(( segid "MBD " and resid 73 and name HA ))
2.400 0.700 0.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.11198E-01 ppm1 4.351 ppm2 1.840 CV 1
OR { 67}
(( segid "MBD " and resid 97 and name HB2 ))
(( segid "MBD " and resid 97 and name HA ))
OR { 67}
(( segid "MBD " and resid 73 and name HG2 ))
(( segid "MBD " and resid 73 and name HA ))
ASSI { 69}
(( segid "MBD " and resid 73 and name HG1 ))
(( segid "MBD " and resid 73 and name HA ))
3.200 1.300 1.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.42978E-02 ppm1 4.367 ppm2 1.934 CV 1
OR { 69}
(( segid "MBD " and resid 97 and name HG1 ))
(( segid "MBD " and resid 97 and name HA ))
ASSI { 70}
( segid "MBD " and resid 76 and name HG1%)
(( segid "MBD " and resid 73 and name HA ))
3.700 1.700 1.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.60269E-03 ppm1 4.362 ppm2 0.831 CV 1
OR { 70}
( segid "MBD " and resid 72 and name HG2%)
(( segid "MBD " and resid 73 and name HA ))
ASSI { 71}
( segid "MBD " and resid 95 and name HG2%)
(( segid "MBD " and resid 97 and name HA ))
3.600 1.600 1.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.69837E-03 ppm1 4.366 ppm2 0.740 CV 1
OR { 71}
( segid "MBD " and resid 96 and name HD2%)
(( segid "MBD " and resid 97 and name HA ))
ASSI { 96}
(( segid "MBD " and resid 73 and name HA ))
(( segid "MBD " and resid 73 and name HG1 ))
3.500 1.600 1.600 peak 96 spectrum 1 weight 0.10000E+01 volume 0.30051E-02 ppm1 1.916 ppm2 4.351 CV 1
OR { 96}
(( segid "MBD " and resid 97 and name HA ))
(( segid "MBD " and resid 97 and name HG1 ))
OR { 96}
(( segid "MBD " and resid 72 and name HA ))
(( segid "MBD " and resid 73 and name HG1 ))
ASSI { 97}
(( segid "MBD " and resid 73 and name HA ))
(( segid "MBD " and resid 73 and name HG2 ))
3.700 1.700 1.700 peak 97 spectrum 1 weight 0.10000E+01 volume 0.21321E-02 ppm1 1.840 ppm2 4.351 CV 1
OR { 97}
(( segid "MBD " and resid 97 and name HA ))
(( segid "MBD " and resid 97 and name HG2 ))
OR { 97}
(( segid "MBD " and resid 72 and name HA ))
(( segid "MBD " and resid 73 and name HG2 ))
ASSI { 106}
(( segid "MBD " and resid 77 and name HB ))
(( segid "MBD " and resid 74 and name HA ))
4.300 2.300 1.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.33745E-03 ppm1 4.294 ppm2 1.613 CV 1
OR { 106}
(( segid "MBD " and resid 75 and name HD1 ))
(( segid "MBD " and resid 74 and name HA ))
OR { 106}
(( segid "MBD " and resid 75 and name HD2 ))
(( segid "MBD " and resid 74 and name HA ))
ASSI { 109}
(( segid "MBD " and resid 74 and name HA ))
(( segid "MBD " and resid 74 and name HB1 ))
2.400 0.700 0.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.75047E-02 ppm1 3.775 ppm2 4.283 CV 1
OR { 109}
(( segid "MBD " and resid 82 and name HA ))
(( segid "MBD " and resid 82 and name HB2 ))
OR { 109}
(( segid "MBD " and resid 74 and name HA ))
(( segid "MBD " and resid 74 and name HB2 ))
ASSI { 111}
(( segid "MBD " and resid 78 and name HB2 ))
(( segid "MBD " and resid 75 and name HA ))
3.400 1.400 1.400 peak 111 spectrum 1 weight 0.10000E+01 volume 0.71685E-03 ppm1 4.277 ppm2 3.124 CV 1
OR { 111}
(( segid "MBD " and resid 91 and name HB1 ))
(( segid "MBD " and resid 94 and name HA ))
ASSI { 115}
(( segid "MBD " and resid 75 and name HG1 ))
(( segid "MBD " and resid 75 and name HA ))
3.000 1.100 1.100 peak 115 spectrum 1 weight 0.10000E+01 volume 0.33913E-02 ppm1 4.282 ppm2 1.318 CV 1
OR { 115}
(( segid "MBD " and resid 75 and name HG2 ))
(( segid "MBD " and resid 75 and name HA ))
OR { 115}
(( segid "MBD " and resid 95 and name HG11))
(( segid "MBD " and resid 94 and name HA ))
ASSI { 131}
(( segid "MBD " and resid 119 and name HB1 ))
(( segid "MBD " and resid 119 and name HE2 ))
3.700 1.700 1.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.14992E-02 ppm1 2.898 ppm2 1.768 CV 1
OR { 131}
(( segid "MBD " and resid 119 and name HB1 ))
(( segid "MBD " and resid 119 and name HE1 ))
OR { 131}
(( segid "MBD " and resid 75 and name HB1 ))
(( segid "MBD " and resid 75 and name HE1 ))
OR { 131}
(( segid "MBD " and resid 75 and name HB1 ))
(( segid "MBD " and resid 75 and name HE2 ))
ASSI { 132}
(( segid "MBD " and resid 75 and name HD2 ))
(( segid "MBD " and resid 75 and name HE2 ))
2.300 0.600 0.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.82934E-02 ppm1 2.894 ppm2 1.585 CV 1
OR { 132}
(( segid "MBD " and resid 119 and name HD2 ))
(( segid "MBD " and resid 119 and name HE1 ))
OR { 132}
(( segid "MBD " and resid 119 and name HD1 ))
(( segid "MBD " and resid 119 and name HE1 ))
OR { 132}
(( segid "MBD " and resid 119 and name HD2 ))
(( segid "MBD " and resid 119 and name HE2 ))
OR { 132}
(( segid "MBD " and resid 119 and name HD1 ))
(( segid "MBD " and resid 119 and name HE2 ))
OR { 132}
(( segid "MBD " and resid 75 and name HD2 ))
(( segid "MBD " and resid 75 and name HE1 ))
OR { 132}
(( segid "MBD " and resid 75 and name HD1 ))
(( segid "MBD " and resid 75 and name HE1 ))
ASSI { 133}
(( segid "MBD " and resid 75 and name HG2 ))
(( segid "MBD " and resid 75 and name HE1 ))
2.500 0.800 0.800 peak 133 spectrum 1 weight 0.10000E+01 volume 0.70344E-02 ppm1 2.911 ppm2 1.335 CV 1
OR { 133}
(( segid "MBD " and resid 75 and name HG1 ))
(( segid "MBD " and resid 75 and name HE1 ))
OR { 133}
(( segid "MBD " and resid 75 and name HG1 ))
(( segid "MBD " and resid 75 and name HE2 ))
OR { 133}
(( segid "MBD " and resid 75 and name HG2 ))
(( segid "MBD " and resid 75 and name HE2 ))
OR { 133}
(( segid "MBD " and resid 119 and name HG2 ))
(( segid "MBD " and resid 119 and name HE1 ))
OR { 133}
(( segid "MBD " and resid 119 and name HG1 ))
(( segid "MBD " and resid 119 and name HE1 ))
OR { 133}
(( segid "MBD " and resid 119 and name HG2 ))
(( segid "MBD " and resid 119 and name HE2 ))
ASSI { 134}
(( segid "MBD " and resid 75 and name HB1 ))
(( segid "MBD " and resid 75 and name HG2 ))
2.500 0.800 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.53555E-02 ppm1 1.336 ppm2 1.785 CV 1
OR { 134}
(( segid "MBD " and resid 119 and name HB1 ))
(( segid "MBD " and resid 119 and name HG2 ))
OR { 134}
(( segid "MBD " and resid 75 and name HB1 ))
(( segid "MBD " and resid 75 and name HG1 ))
OR { 134}
(( segid "MBD " and resid 119 and name HB1 ))
(( segid "MBD " and resid 119 and name HG1 ))
ASSI { 144}
( segid "MBD " and resid 115 and name HG2%)
(( segid "MBD " and resid 115 and name HB ))
2.000 0.500 0.500 peak 144 spectrum 1 weight 0.10000E+01 volume 0.15546E-01 ppm1 1.970 ppm2 0.839 CV 1
OR { 144}
( segid "MBD " and resid 115 and name HG1%)
(( segid "MBD " and resid 115 and name HB ))
OR { 144}
( segid "MBD " and resid 76 and name HG1%)
(( segid "MBD " and resid 76 and name HB ))
ASSI { 147}
(( segid "MBD " and resid 76 and name HA ))
( segid "MBD " and resid 76 and name HG1%)
2.500 0.800 0.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.89986E-02 ppm1 0.839 ppm2 4.009 CV 1
OR { 147}
(( segid "MRG " and resid 166 and name HA ))
( segid "MBD " and resid 115 and name HG2%)
ASSI { 148}
(( segid "MRG " and resid 165 and name HB1 ))
( segid "MBD " and resid 115 and name HG2%)
2.000 0.500 0.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.11886E-01 ppm1 0.840 ppm2 1.970 CV 1
OR { 148}
(( segid "MBD " and resid 115 and name HB ))
( segid "MBD " and resid 115 and name HG2%)
OR { 148}
(( segid "MBD " and resid 76 and name HB ))
( segid "MBD " and resid 76 and name HG1%)
ASSI { 167}
(( segid "MBD " and resid 74 and name HA ))
(( segid "MBD " and resid 77 and name HB ))
4.700 2.800 1.300 peak 167 spectrum 1 weight 0.10000E+01 volume 0.22329E-03 ppm1 1.618 ppm2 4.288 CV 1
OR { 167}
(( segid "MBD " and resid 75 and name HA ))
(( segid "MBD " and resid 77 and name HB ))
ASSI { 175}
(( segid "MRG " and resid 224 and name HA ))
( segid "MBD " and resid 77 and name HD1%)
4.000 2.000 2.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.75548E-03 ppm1 0.602 ppm2 3.985 CV 1
OR { 175}
(( segid "MRG " and resid 219 and name HA ))
( segid "MBD " and resid 77 and name HD1%)
OR { 175}
(( segid "MBD " and resid 76 and name HA ))
( segid "MBD " and resid 77 and name HD1%)
ASSI { 194}
(( segid "MRG " and resid 219 and name HA ))
( segid "MBD " and resid 77 and name HG2%)
4.400 2.400 1.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.52548E-03 ppm1 0.501 ppm2 3.985 CV 1
OR { 194}
(( segid "MBD " and resid 76 and name HA ))
( segid "MBD " and resid 77 and name HG2%)
ASSI { 216}
( segid "MBD " and resid 76 and name HG2%)
(( segid "MBD " and resid 78 and name HB2 ))
4.200 2.200 1.800 peak 216 spectrum 1 weight 0.10000E+01 volume 0.15210E-03 ppm1 3.144 ppm2 0.720 CV 1
OR { 216}
( segid "MBD " and resid 81 and name HD2%)
(( segid "MBD " and resid 78 and name HB2 ))
ASSI { 218}
( segid "MBD " and resid 81 and name HD1%)
(( segid "MBD " and resid 79 and name HA ))
4.100 2.100 1.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.66648E-03 ppm1 4.430 ppm2 0.756 CV 1
OR { 218}
( segid "MBD " and resid 76 and name HG2%)
(( segid "MBD " and resid 79 and name HA ))
ASSI { 229}
(( segid "MBD " and resid 77 and name HA ))
(( segid "MBD " and resid 80 and name HB1 ))
4.500 2.600 1.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.19139E-03 ppm1 3.057 ppm2 3.895 CV 1
OR { 229}
(( segid "MBD " and resid 82 and name HB1 ))
(( segid "MBD " and resid 91 and name HB2 ))
OR { 229}
(( segid "MBD " and resid 77 and name HA ))
(( segid "MBD " and resid 80 and name HB2 ))
ASSI { 236}
( segid "MRG " and resid 212 and name HD% )
(( segid "MBD " and resid 81 and name HA ))
3.900 1.900 1.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.16453E-03 ppm1 4.150 ppm2 -0.974 CV 1
OR { 236}
( segid "MBD " and resid 85 and name HD% )
(( segid "MBD " and resid 81 and name HA ))
ASSI { 238}
( segid "MBD " and resid 81 and name HD2%)
(( segid "MBD " and resid 81 and name HB2 ))
2.400 0.700 0.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.57414E-02 ppm1 1.476 ppm2 0.714 CV 1
OR { 238}
( segid "MBD " and resid 90 and name HD2%)
(( segid "MBD " and resid 90 and name HB2 ))
OR { 238}
( segid "MBD " and resid 96 and name HD2%)
(( segid "MBD " and resid 96 and name HB1 ))
OR { 238}
( segid "MBD " and resid 81 and name HD1%)
(( segid "MBD " and resid 81 and name HB2 ))
ASSI { 239}
(( segid "MBD " and resid 81 and name HA ))
(( segid "MBD " and resid 81 and name HB1 ))
3.600 1.600 1.600 peak 239 spectrum 1 weight 0.10000E+01 volume 0.81926E-03 ppm1 1.666 ppm2 4.160 CV 1
OR { 239}
(( segid "MBD " and resid 106 and name HA ))
(( segid "MBD " and resid 107 and name HB1 ))
ASSI { 241}
(( segid "MRG " and resid 287 and name HA ))
( segid "MBD " and resid 81 and name HD1%)
3.300 1.300 1.300 peak 241 spectrum 1 weight 0.10000E+01 volume 0.57414E-03 ppm1 0.724 ppm2 3.984 CV 1
OR { 241}
(( segid "MRG " and resid 284 and name HA ))
( segid "MBD " and resid 81 and name HD1%)
ASSI { 253}
( segid "MRG " and resid 224 and name HE% )
( segid "MBD " and resid 81 and name HD1%)
4.200 2.200 1.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.13682E-03 ppm1 0.730 ppm2 6.461 CV 1
OR { 253}
( segid "MRG " and resid 197 and name HD% )
( segid "MBD " and resid 81 and name HD1%)
ASSI { 256}
(( segid "MBD " and resid 78 and name HZ3 ))
( segid "MBD " and resid 81 and name HD2%)
3.100 1.200 1.200 peak 256 spectrum 1 weight 0.10000E+01 volume 0.16167E-02 ppm1 0.719 ppm2 -1.088 CV 1
OR { 256}
( segid "MBD " and resid 98 and name HE% )
( segid "MBD " and resid 96 and name HD2%)
ASSI { 259}
(( segid "MBD " and resid 81 and name HB2 ))
( segid "MBD " and resid 81 and name HD2%)
2.100 0.600 0.600 peak 259 spectrum 1 weight 0.10000E+01 volume 0.16738E-01 ppm1 0.726 ppm2 1.459 CV 1
OR { 259}
(( segid "MBD " and resid 90 and name HB2 ))
( segid "MBD " and resid 90 and name HD2%)
OR { 259}
(( segid "MBD " and resid 96 and name HB1 ))
( segid "MBD " and resid 96 and name HD2%)
ASSI { 260}
( segid "MBD " and resid 84 and name HE% )
( segid "MBD " and resid 81 and name HD2%)
3.400 1.500 1.500 peak 260 spectrum 1 weight 0.10000E+01 volume 0.23504E-02 ppm1 0.722 ppm2 1.893 CV 1
OR { 260}
(( segid "MBD " and resid 97 and name HG1 ))
( segid "MBD " and resid 96 and name HD2%)
ASSI { 261}
(( segid "MBD " and resid 84 and name HG1 ))
( segid "MBD " and resid 81 and name HD2%)
4.300 2.300 1.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.39453E-03 ppm1 0.717 ppm2 2.289 CV 1
OR { 261}
(( segid "MBD " and resid 84 and name HG2 ))
( segid "MBD " and resid 81 and name HD2%)
OR { 261}
(( segid "MBD " and resid 88 and name HG2 ))
( segid "MBD " and resid 90 and name HD2%)
OR { 261}
(( segid "MBD " and resid 88 and name HG1 ))
( segid "MBD " and resid 90 and name HD2%)
ASSI { 263}
( segid "MRG " and resid 290 and name HE% )
( segid "MBD " and resid 81 and name HD2%)
3.300 1.400 1.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.96198E-03 ppm1 0.717 ppm2 -1.278 CV 1
OR { 263}
( segid "MBD " and resid 85 and name HE% )
( segid "MBD " and resid 90 and name HD2%)
ASSI { 274}
(( segid "MBD " and resid 86 and name HB2 ))
(( segid "MBD " and resid 83 and name HA ))
4.600 2.600 1.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.44825E-03 ppm1 4.275 ppm2 2.575 CV 1
OR { 274}
(( segid "MBD " and resid 87 and name HG1 ))
(( segid "MBD " and resid 83 and name HA ))
OR { 274}
(( segid "MBD " and resid 79 and name HB1 ))
(( segid "MBD " and resid 83 and name HA ))
ASSI { 286}
(( segid "MBD " and resid 88 and name HB2 ))
( segid "MBD " and resid 83 and name HG2%)
3.800 1.800 1.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.22832E-03 ppm1 1.159 ppm2 1.970 CV 1
OR { 286}
( segid "MBD " and resid 87 and name HE% )
( segid "MBD " and resid 83 and name HG2%)
OR { 286}
(( segid "MBD " and resid 76 and name HB ))
( segid "MBD " and resid 83 and name HG2%)
ASSI { 300}
(( segid "MBD " and resid 84 and name HA ))
( segid "MBD " and resid 84 and name HE% )
3.900 1.900 1.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.12222E-02 ppm1 1.884 ppm2 4.242 CV 1
OR { 300}
(( segid "MBD " and resid 82 and name HA ))
( segid "MBD " and resid 84 and name HE% )
ASSI { 302}
( segid "MBD " and resid 85 and name HD% )
( segid "MBD " and resid 84 and name HE% )
4.100 2.100 1.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.36766E-03 ppm1 1.882 ppm2 -0.974 CV 1
OR { 302}
( segid "MRG " and resid 212 and name HD% )
( segid "MBD " and resid 84 and name HE% )
ASSI { 303}
( segid "MRG " and resid 212 and name HE% )
( segid "MBD " and resid 84 and name HE% )
3.700 1.700 1.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.65640E-03 ppm1 1.884 ppm2 -1.280 CV 1
OR { 303}
( segid "MRG " and resid 290 and name HE% )
( segid "MBD " and resid 84 and name HE% )
ASSI { 304}
(( segid "MBD " and resid 78 and name HZ3 ))
( segid "MBD " and resid 84 and name HE% )
5.100 3.200 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.23839E-03 ppm1 1.885 ppm2 -1.133 CV 1
OR { 304}
(( segid "MBD " and resid 80 and name HD2 ))
( segid "MBD " and resid 84 and name HE% )
ASSI { 309}
(( segid "MBD " and resid 81 and name HG ))
( segid "MBD " and resid 84 and name HE% )
3.300 1.400 1.400 peak 309 spectrum 1 weight 0.10000E+01 volume 0.12726E-02 ppm1 1.882 ppm2 1.254 CV 1
OR { 309}
( segid "MRG " and resid 213 and name HB% )
( segid "MBD " and resid 84 and name HE% )
ASSI { 321}
(( segid "MBD " and resid 82 and name HA ))
(( segid "MBD " and resid 85 and name HB1 ))
4.100 2.200 1.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.24847E-03 ppm1 3.022 ppm2 4.287 CV 1
OR { 321}
(( segid "MBD " and resid 87 and name HA ))
(( segid "MBD " and resid 85 and name HB1 ))
ASSI { 332}
(( segid "MBD " and resid 88 and name HB1 ))
(( segid "MBD " and resid 86 and name HA ))
4.600 2.600 1.400 peak 332 spectrum 1 weight 0.10000E+01 volume 0.42307E-03 ppm1 4.522 ppm2 2.056 CV 1
OR { 332}
(( segid "MBD " and resid 87 and name HB1 ))
(( segid "MBD " and resid 86 and name HA ))
OR { 332}
(( segid "MBD " and resid 87 and name HB2 ))
(( segid "MBD " and resid 86 and name HA ))
ASSI { 333}
(( segid "MBD " and resid 88 and name HB2 ))
(( segid "MBD " and resid 86 and name HA ))
4.400 2.400 1.600 peak 333 spectrum 1 weight 0.10000E+01 volume 0.43986E-03 ppm1 4.520 ppm2 1.985 CV 1
OR { 333}
(( segid "MBD " and resid 87 and name HB1 ))
(( segid "MBD " and resid 86 and name HA ))
OR { 333}
(( segid "MBD " and resid 87 and name HB2 ))
(( segid "MBD " and resid 86 and name HA ))
ASSI { 337}
( segid "MBD " and resid 89 and name HB% )
(( segid "MBD " and resid 86 and name HA ))
2.900 2.900 3.100 peak 337 spectrum 1 weight 0.10000E+01 volume 0.10090E-02 ppm1 4.521 ppm2 1.297 CV 1
OR { 337}
(( segid "MBD " and resid 81 and name HG ))
(( segid "MBD " and resid 86 and name HA ))
ASSI { 340}
(( segid "MBD " and resid 87 and name HA ))
(( segid "MBD " and resid 86 and name HB1 ))
4.300 2.300 1.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.48350E-03 ppm1 2.700 ppm2 4.277 CV 1
OR { 340}
(( segid "MBD " and resid 83 and name HA ))
(( segid "MBD " and resid 86 and name HB1 ))
OR { 340}
(( segid "MBD " and resid 82 and name HA ))
(( segid "MBD " and resid 86 and name HB1 ))
ASSI { 352}
(( segid "MBD " and resid 87 and name HG1 ))
(( segid "MBD " and resid 87 and name HA ))
3.000 1.100 1.100 peak 352 spectrum 1 weight 0.10000E+01 volume 0.17628E-02 ppm1 4.297 ppm2 2.573 CV 1
OR { 352}
(( segid "MBD " and resid 79 and name HB2 ))
(( segid "MBD " and resid 75 and name HA ))
ASSI { 361}
(( segid "MBD " and resid 82 and name HA ))
(( segid "MBD " and resid 87 and name HB1 ))
2.400 0.700 0.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.44321E-02 ppm1 2.028 ppm2 4.296 CV 1
OR { 361}
(( segid "MBD " and resid 82 and name HA ))
(( segid "MBD " and resid 87 and name HB2 ))
OR { 361}
(( segid "MBD " and resid 87 and name HA ))
(( segid "MBD " and resid 87 and name HB1 ))
OR { 361}
(( segid "MBD " and resid 87 and name HA ))
(( segid "MBD " and resid 87 and name HB2 ))
ASSI { 364}
(( segid "MBD " and resid 81 and name HA ))
( segid "MBD " and resid 87 and name HE% )
3.800 1.800 1.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.67995E-03 ppm1 1.971 ppm2 4.180 CV 1
OR { 364}
(( segid "MRG " and resid 283 and name HA ))
( segid "MBD " and resid 87 and name HE% )
ASSI { 374}
( segid "MBD " and resid 90 and name HD1%)
( segid "MBD " and resid 87 and name HE% )
2.700 0.900 0.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.30051E-02 ppm1 1.970 ppm2 0.771 CV 1
OR { 374}
( segid "MBD " and resid 90 and name HD2%)
( segid "MBD " and resid 87 and name HE% )
OR { 374}
( segid "MRG " and resid 279 and name HD1%)
( segid "MBD " and resid 87 and name HE% )
ASSI { 385}
(( segid "MBD " and resid 87 and name HA ))
(( segid "MBD " and resid 87 and name HG1 ))
3.000 1.100 1.100 peak 385 spectrum 1 weight 0.10000E+01 volume 0.19474E-02 ppm1 2.572 ppm2 4.294 CV 1
OR { 385}
(( segid "MBD " and resid 82 and name HA ))
(( segid "MBD " and resid 87 and name HG1 ))
ASSI { 386}
(( segid "MBD " and resid 87 and name HA ))
(( segid "MBD " and resid 87 and name HG2 ))
2.900 1.100 1.100 peak 386 spectrum 1 weight 0.10000E+01 volume 0.24176E-02 ppm1 2.478 ppm2 4.294 CV 1
OR { 386}
(( segid "MBD " and resid 82 and name HA ))
(( segid "MBD " and resid 87 and name HG2 ))
ASSI { 396}
( segid "MBD " and resid 90 and name HD2%)
(( segid "MBD " and resid 87 and name HG2 ))
4.300 2.300 1.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.39453E-03 ppm1 2.475 ppm2 0.740 CV 1
OR { 396}
( segid "MBD " and resid 111 and name HG2%)
(( segid "MBD " and resid 108 and name HB1 ))
ASSI { 400}
(( segid "MBD " and resid 88 and name HB2 ))
(( segid "MBD " and resid 88 and name HA ))
2.400 0.700 0.700 peak 400 spectrum 1 weight 0.10000E+01 volume 0.63124E-02 ppm1 4.161 ppm2 2.002 CV 1
OR { 400}
(( segid "MBD " and resid 92 and name HB1 ))
(( segid "MBD " and resid 92 and name HA ))
ASSI { 402}
(( segid "MBD " and resid 91 and name HB1 ))
(( segid "MBD " and resid 88 and name HA ))
3.500 1.500 1.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.80418E-03 ppm1 4.150 ppm2 3.126 CV 1
OR { 402}
(( segid "MBD " and resid 91 and name HB1 ))
(( segid "MBD " and resid 92 and name HA ))
ASSI { 403}
(( segid "MBD " and resid 91 and name HB2 ))
(( segid "MBD " and resid 88 and name HA ))
3.400 1.500 1.500 peak 403 spectrum 1 weight 0.10000E+01 volume 0.97539E-03 ppm1 4.150 ppm2 3.057 CV 1
OR { 403}
(( segid "MBD " and resid 91 and name HB2 ))
(( segid "MBD " and resid 92 and name HA ))
ASSI { 416}
(( segid "MBD " and resid 88 and name HB1 ))
(( segid "MBD " and resid 88 and name HG2 ))
1.800 0.400 0.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.35423E-01 ppm1 2.297 ppm2 2.035 CV 1
OR { 416}
(( segid "MBD " and resid 71 and name HB1 ))
(( segid "MBD " and resid 71 and name HG1 ))
OR { 416}
(( segid "MBD " and resid 71 and name HB1 ))
(( segid "MBD " and resid 71 and name HG2 ))
OR { 416}
(( segid "MBD " and resid 88 and name HB1 ))
(( segid "MBD " and resid 88 and name HG1 ))
ASSI { 428}
(( segid "MBD " and resid 86 and name HB2 ))
( segid "MBD " and resid 89 and name HB% )
4.300 2.300 1.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.42642E-03 ppm1 1.293 ppm2 2.574 CV 1
OR { 428}
(( segid "MBD " and resid 87 and name HG1 ))
( segid "MBD " and resid 89 and name HB% )
ASSI { 433}
(( segid "MBD " and resid 88 and name HB2 ))
( segid "MBD " and resid 89 and name HB% )
4.000 2.000 2.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.65980E-03 ppm1 1.294 ppm2 2.013 CV 1
OR { 433}
(( segid "MBD " and resid 87 and name HB1 ))
( segid "MBD " and resid 89 and name HB% )
ASSI { 444}
(( segid "MBD " and resid 87 and name HA ))
(( segid "MBD " and resid 90 and name HB2 ))
3.300 1.400 1.400 peak 444 spectrum 1 weight 0.10000E+01 volume 0.76049E-03 ppm1 1.446 ppm2 4.292 CV 1
OR { 444}
(( segid "MBD " and resid 82 and name HA ))
(( segid "MBD " and resid 81 and name HB2 ))
ASSI { 446}
(( segid "MBD " and resid 81 and name HA ))
(( segid "MBD " and resid 81 and name HB2 ))
2.500 0.800 0.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.43817E-02 ppm1 1.446 ppm2 4.167 CV 1
OR { 446}
(( segid "MBD " and resid 90 and name HA ))
(( segid "MBD " and resid 90 and name HB2 ))
ASSI { 450}
( segid "MBD " and resid 96 and name HD1%)
(( segid "MBD " and resid 96 and name HB1 ))
2.500 0.800 0.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.57414E-02 ppm1 1.448 ppm2 0.802 CV 1
OR { 450}
( segid "MBD " and resid 90 and name HD1%)
(( segid "MBD " and resid 90 and name HB2 ))
ASSI { 452}
( segid "MBD " and resid 90 and name HD2%)
(( segid "MBD " and resid 90 and name HB2 ))
2.400 0.700 0.700 peak 452 spectrum 1 weight 0.10000E+01 volume 0.65473E-02 ppm1 1.462 ppm2 0.755 CV 1
OR { 452}
( segid "MBD " and resid 96 and name HD2%)
(( segid "MBD " and resid 96 and name HB1 ))
OR { 452}
( segid "MBD " and resid 96 and name HD1%)
(( segid "MBD " and resid 96 and name HB1 ))
OR { 452}
( segid "MBD " and resid 81 and name HD1%)
(( segid "MBD " and resid 81 and name HB2 ))
ASSI { 455}
(( segid "MBD " and resid 91 and name HD2 ))
(( segid "MBD " and resid 90 and name HB1 ))
4.600 2.600 1.400 peak 455 spectrum 1 weight 0.10000E+01 volume 0.11886E-03 ppm1 1.568 ppm2 -0.968 CV 1
OR { 455}
( segid "MBD " and resid 85 and name HD% )
(( segid "MBD " and resid 90 and name HB1 ))
ASSI { 456}
(( segid "MBD " and resid 91 and name HD2 ))
(( segid "MBD " and resid 90 and name HB2 ))
4.100 2.100 1.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.26694E-03 ppm1 1.449 ppm2 -0.967 CV 1
OR { 456}
( segid "MBD " and resid 85 and name HD% )
(( segid "MBD " and resid 90 and name HB2 ))
ASSI { 457}
(( segid "MBD " and resid 94 and name HG2 ))
( segid "MBD " and resid 90 and name HD1%)
3.900 1.900 1.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.33913E-03 ppm1 0.796 ppm2 2.170 CV 1
OR { 457}
(( segid "MBD " and resid 94 and name HG1 ))
( segid "MBD " and resid 90 and name HD1%)
OR { 457}
(( segid "MBD " and resid 73 and name HB1 ))
( segid "MBD " and resid 96 and name HD1%)
OR { 457}
(( segid "MBD " and resid 94 and name HG1 ))
( segid "MBD " and resid 96 and name HD1%)
OR { 457}
(( segid "MRG " and resid 223 and name HG1 ))
( segid "MBD " and resid 96 and name HD1%)
ASSI { 461}
( segid "MBD " and resid 87 and name HE% )
( segid "MBD " and resid 90 and name HD1%)
3.100 1.200 1.200 peak 461 spectrum 1 weight 0.10000E+01 volume 0.13414E-02 ppm1 0.799 ppm2 1.966 CV 1
OR { 461}
(( segid "MBD " and resid 88 and name HB2 ))
( segid "MBD " and resid 90 and name HD1%)
OR { 461}
(( segid "MBD " and resid 73 and name HG1 ))
( segid "MBD " and resid 96 and name HD1%)
ASSI { 470}
(( segid "MBD " and resid 74 and name HB1 ))
( segid "MBD " and resid 96 and name HD2%)
3.500 1.500 1.500 peak 470 spectrum 1 weight 0.10000E+01 volume 0.83268E-03 ppm1 0.743 ppm2 3.801 CV 1
OR { 470}
(( segid "MBD " and resid 74 and name HB2 ))
( segid "MBD " and resid 96 and name HD2%)
OR { 470}
(( segid "MRG " and resid 283 and name HB2 ))
( segid "MBD " and resid 90 and name HD2%)
ASSI { 473}
(( segid "MBD " and resid 87 and name HA ))
( segid "MBD " and resid 90 and name HD2%)
3.100 1.200 1.200 peak 473 spectrum 1 weight 0.10000E+01 volume 0.22496E-02 ppm1 0.738 ppm2 4.289 CV 1
OR { 473}
(( segid "MBD " and resid 82 and name HA ))
( segid "MBD " and resid 81 and name HD2%)
ASSI { 474}
( segid "MBD " and resid 87 and name HE% )
( segid "MBD " and resid 90 and name HD2%)
3.400 1.400 1.400 peak 474 spectrum 1 weight 0.10000E+01 volume 0.17124E-02 ppm1 0.745 ppm2 1.969 CV 1
OR { 474}
(( segid "MBD " and resid 88 and name HB2 ))
( segid "MBD " and resid 90 and name HD2%)
ASSI { 483}
(( segid "MBD " and resid 87 and name HB2 ))
( segid "MBD " and resid 90 and name HD2%)
3.500 1.500 1.500 peak 483 spectrum 1 weight 0.10000E+01 volume 0.13682E-02 ppm1 0.744 ppm2 2.044 CV 1
OR { 483}
(( segid "MBD " and resid 87 and name HB1 ))
( segid "MBD " and resid 90 and name HD2%)
OR { 483}
(( segid "MBD " and resid 97 and name HB1 ))
( segid "MBD " and resid 96 and name HD2%)
ASSI { 490}
( segid "MRG " and resid 279 and name HD1%)
(( segid "MBD " and resid 91 and name HA ))
3.200 1.300 1.300 peak 490 spectrum 1 weight 0.10000E+01 volume 0.47679E-03 ppm1 4.546 ppm2 0.771 CV 1
OR { 490}
( segid "MBD " and resid 95 and name HG2%)
(( segid "MBD " and resid 91 and name HA ))
OR { 490}
( segid "MRG " and resid 279 and name HD2%)
(( segid "MBD " and resid 91 and name HA ))
OR { 490}
( segid "MBD " and resid 90 and name HD2%)
(( segid "MBD " and resid 91 and name HA ))
ASSI { 495}
(( segid "MBD " and resid 94 and name HB1 ))
(( segid "MBD " and resid 91 and name HA ))
4.200 2.200 1.800 peak 495 spectrum 1 weight 0.10000E+01 volume 0.38445E-03 ppm1 4.547 ppm2 2.013 CV 1
OR { 495}
(( segid "MBD " and resid 92 and name HB1 ))
(( segid "MBD " and resid 91 and name HA ))
OR { 495}
(( segid "MBD " and resid 87 and name HB1 ))
(( segid "MBD " and resid 91 and name HA ))
ASSI { 496}
(( segid "MBD " and resid 94 and name HB2 ))
(( segid "MBD " and resid 91 and name HA ))
4.000 2.000 2.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.48686E-03 ppm1 4.547 ppm2 1.910 CV 1
OR { 496}
(( segid "MBD " and resid 92 and name HB2 ))
(( segid "MBD " and resid 91 and name HA ))
ASSI { 497}
(( segid "MBD " and resid 94 and name HG1 ))
(( segid "MBD " and resid 91 and name HA ))
3.800 1.800 1.800 peak 497 spectrum 1 weight 0.10000E+01 volume 0.57414E-03 ppm1 4.546 ppm2 2.168 CV 1
OR { 497}
(( segid "MBD " and resid 92 and name HG2 ))
(( segid "MBD " and resid 91 and name HA ))
OR { 497}
(( segid "MBD " and resid 92 and name HG1 ))
(( segid "MBD " and resid 91 and name HA ))
ASSI { 499}
(( segid "MBD " and resid 88 and name HA ))
(( segid "MBD " and resid 91 and name HB2 ))
3.500 1.600 1.600 peak 499 spectrum 1 weight 0.10000E+01 volume 0.91495E-03 ppm1 3.064 ppm2 4.155 CV 1
OR { 499}
(( segid "MBD " and resid 81 and name HA ))
(( segid "MBD " and resid 80 and name HB2 ))
OR { 499}
(( segid "MBD " and resid 81 and name HA ))
(( segid "MBD " and resid 80 and name HB1 ))
OR { 499}
(( segid "MBD " and resid 92 and name HA ))
(( segid "MBD " and resid 91 and name HB2 ))
ASSI { 500}
( segid "MBD " and resid 95 and name HG2%)
(( segid "MBD " and resid 91 and name HB1 ))
3.300 1.300 1.300 peak 500 spectrum 1 weight 0.10000E+01 volume 0.48519E-03 ppm1 3.129 ppm2 0.743 CV 1
OR { 500}
( segid "MBD " and resid 90 and name HD2%)
(( segid "MBD " and resid 91 and name HB1 ))
OR { 500}
( segid "MBD " and resid 95 and name HD1%)
(( segid "MBD " and resid 91 and name HB1 ))
OR { 500}
( segid "MRG " and resid 279 and name HD2%)
(( segid "MBD " and resid 91 and name HB1 ))
OR { 500}
( segid "MBD " and resid 81 and name HD1%)
(( segid "MBD " and resid 91 and name HB1 ))
ASSI { 501}
( segid "MBD " and resid 95 and name HG2%)
(( segid "MBD " and resid 91 and name HB2 ))
3.500 1.500 1.500 peak 501 spectrum 1 weight 0.10000E+01 volume 0.86797E-03 ppm1 3.062 ppm2 0.743 CV 1
OR { 501}
( segid "MBD " and resid 81 and name HD1%)
(( segid "MBD " and resid 80 and name HB2 ))
OR { 501}
( segid "MBD " and resid 81 and name HD1%)
(( segid "MBD " and resid 80 and name HB1 ))
OR { 501}
( segid "MBD " and resid 76 and name HG2%)
(( segid "MBD " and resid 80 and name HB1 ))
OR { 501}
( segid "MBD " and resid 76 and name HG2%)
(( segid "MBD " and resid 80 and name HB2 ))
ASSI { 516}
( segid "MBD " and resid 89 and name HB% )
(( segid "MBD " and resid 92 and name HB1 ))
3.700 1.700 1.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.84448E-03 ppm1 2.016 ppm2 1.300 CV 1
OR { 516}
( segid "MRG " and resid 277 and name HG2%)
(( segid "MBD " and resid 94 and name HB1 ))
ASSI { 520}
(( segid "MBD " and resid 92 and name HG1 ))
(( segid "MBD " and resid 92 and name HB1 ))
1.900 0.400 0.400 peak 520 spectrum 1 weight 0.10000E+01 volume 0.31898E-01 ppm1 2.015 ppm2 2.164 CV 1
OR { 520}
(( segid "MBD " and resid 94 and name HG1 ))
(( segid "MBD " and resid 94 and name HB1 ))
OR { 520}
(( segid "MBD " and resid 94 and name HG2 ))
(( segid "MBD " and resid 94 and name HB1 ))
OR { 520}
(( segid "MBD " and resid 92 and name HG2 ))
(( segid "MBD " and resid 92 and name HB1 ))
ASSI { 521}
( segid "MRG " and resid 279 and name HD2%)
(( segid "MBD " and resid 94 and name HB1 ))
3.000 1.100 1.100 peak 521 spectrum 1 weight 0.10000E+01 volume 0.85455E-03 ppm1 2.016 ppm2 0.746 CV 1
OR { 521}
( segid "MBD " and resid 90 and name HD2%)
(( segid "MBD " and resid 94 and name HB1 ))
OR { 521}
( segid "MBD " and resid 95 and name HD1%)
(( segid "MBD " and resid 92 and name HB1 ))
OR { 521}
( segid "MBD " and resid 95 and name HG2%)
(( segid "MBD " and resid 94 and name HB1 ))
OR { 521}
( segid "MBD " and resid 96 and name HD1%)
(( segid "MBD " and resid 94 and name HB1 ))
ASSI { 524}
( segid "MRG " and resid 279 and name HD2%)
(( segid "MBD " and resid 94 and name HB2 ))
2.600 0.900 0.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.16436E-02 ppm1 1.906 ppm2 0.745 CV 1
OR { 524}
( segid "MBD " and resid 95 and name HD1%)
(( segid "MBD " and resid 92 and name HB2 ))
OR { 524}
( segid "MBD " and resid 95 and name HG2%)
(( segid "MBD " and resid 94 and name HB2 ))
OR { 524}
( segid "MBD " and resid 90 and name HD2%)
(( segid "MBD " and resid 94 and name HB2 ))
ASSI { 529}
( segid "MRG " and resid 277 and name HG2%)
(( segid "MBD " and resid 94 and name HG2 ))
3.600 1.600 1.600 peak 529 spectrum 1 weight 0.10000E+01 volume 0.10811E-02 ppm1 2.158 ppm2 1.300 CV 1
OR { 529}
( segid "MRG " and resid 277 and name HG2%)
(( segid "MBD " and resid 94 and name HG1 ))
OR { 529}
( segid "MBD " and resid 89 and name HB% )
(( segid "MBD " and resid 92 and name HG1 ))
OR { 529}
( segid "MBD " and resid 89 and name HB% )
(( segid "MBD " and resid 92 and name HG2 ))
ASSI { 530}
(( segid "MBD " and resid 91 and name HB1 ))
(( segid "MBD " and resid 92 and name HG2 ))
4.900 3.000 1.100 peak 530 spectrum 1 weight 0.10000E+01 volume 0.17796E-03 ppm1 2.157 ppm2 3.131 CV 1
OR { 530}
(( segid "MBD " and resid 91 and name HB1 ))
(( segid "MBD " and resid 92 and name HG1 ))
OR { 530}
(( segid "MBD " and resid 91 and name HB1 ))
(( segid "MBD " and resid 94 and name HG1 ))
ASSI { 533}
(( segid "MBD " and resid 92 and name HA ))
(( segid "MBD " and resid 92 and name HG2 ))
2.600 0.900 0.900 peak 533 spectrum 1 weight 0.10000E+01 volume 0.51372E-02 ppm1 2.156 ppm2 4.175 CV 1
OR { 533}
(( segid "MBD " and resid 92 and name HA ))
(( segid "MBD " and resid 92 and name HG1 ))
OR { 533}
(( segid "MBD " and resid 89 and name HA ))
(( segid "MBD " and resid 92 and name HG1 ))
ASSI { 534}
(( segid "MRG " and resid 279 and name HA ))
(( segid "MBD " and resid 94 and name HG1 ))
3.400 1.400 1.400 peak 534 spectrum 1 weight 0.10000E+01 volume 0.81759E-03 ppm1 2.164 ppm2 4.368 CV 1
OR { 534}
(( segid "MRG " and resid 279 and name HA ))
(( segid "MBD " and resid 94 and name HG2 ))
OR { 534}
(( segid "MBD " and resid 93 and name HA ))
(( segid "MBD " and resid 94 and name HG1 ))
OR { 534}
(( segid "MBD " and resid 93 and name HA ))
(( segid "MBD " and resid 94 and name HG2 ))
ASSI { 541}
( segid "MBD " and resid 95 and name HG2%)
(( segid "MBD " and resid 93 and name HA ))
3.000 3.000 3.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.75715E-03 ppm1 4.373 ppm2 0.767 CV 1
OR { 541}
( segid "MBD " and resid 90 and name HD2%)
(( segid "MBD " and resid 93 and name HA ))
OR { 541}
( segid "MBD " and resid 90 and name HD1%)
(( segid "MBD " and resid 93 and name HA ))
OR { 541}
( segid "MRG " and resid 279 and name HD2%)
(( segid "MBD " and resid 93 and name HA ))
ASSI { 543}
( segid "MBD " and resid 96 and name HD2%)
(( segid "MBD " and resid 74 and name HB1 ))
2.500 0.800 0.800 peak 543 spectrum 1 weight 0.10000E+01 volume 0.29547E-02 ppm1 3.821 ppm2 0.747 CV 1
OR { 543}
( segid "MBD " and resid 96 and name HD1%)
(( segid "MBD " and resid 74 and name HB1 ))
OR { 543}
( segid "MBD " and resid 96 and name HD2%)
(( segid "MBD " and resid 74 and name HB2 ))
OR { 543}
( segid "MBD " and resid 96 and name HD1%)
(( segid "MBD " and resid 74 and name HB2 ))
OR { 543}
( segid "MBD " and resid 95 and name HG2%)
(( segid "MBD " and resid 74 and name HB2 ))
OR { 543}
( segid "MBD " and resid 95 and name HG2%)
(( segid "MBD " and resid 74 and name HB1 ))
ASSI { 545}
(( segid "MBD " and resid 92 and name HB1 ))
(( segid "MBD " and resid 93 and name HB2 ))
3.700 1.700 1.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.82260E-03 ppm1 3.822 ppm2 2.014 CV 1
OR { 545}
(( segid "MBD " and resid 72 and name HB ))
(( segid "MBD " and resid 74 and name HB2 ))
OR { 545}
(( segid "MBD " and resid 92 and name HB1 ))
(( segid "MBD " and resid 93 and name HB1 ))
OR { 545}
(( segid "MBD " and resid 72 and name HB ))
(( segid "MBD " and resid 74 and name HB1 ))
ASSI { 546}
(( segid "MBD " and resid 92 and name HB2 ))
(( segid "MBD " and resid 93 and name HB2 ))
3.600 1.600 1.600 peak 546 spectrum 1 weight 0.10000E+01 volume 0.84949E-03 ppm1 3.822 ppm2 1.909 CV 1
OR { 546}
(( segid "MBD " and resid 94 and name HB2 ))
(( segid "MBD " and resid 93 and name HB1 ))
OR { 546}
(( segid "MBD " and resid 92 and name HB2 ))
(( segid "MBD " and resid 93 and name HB1 ))
OR { 546}
(( segid "MBD " and resid 73 and name HG1 ))
(( segid "MBD " and resid 74 and name HB2 ))
ASSI { 547}
(( segid "MBD " and resid 94 and name HG2 ))
(( segid "MBD " and resid 93 and name HB1 ))
3.700 1.700 1.700 peak 547 spectrum 1 weight 0.10000E+01 volume 0.67321E-03 ppm1 3.823 ppm2 2.163 CV 1
OR { 547}
(( segid "MBD " and resid 73 and name HB1 ))
(( segid "MBD " and resid 74 and name HB2 ))
OR { 547}
(( segid "MBD " and resid 73 and name HB1 ))
(( segid "MBD " and resid 74 and name HB1 ))
OR { 547}
(( segid "MBD " and resid 92 and name HG2 ))
(( segid "MBD " and resid 93 and name HB2 ))
OR { 547}
(( segid "MBD " and resid 92 and name HG1 ))
(( segid "MBD " and resid 93 and name HB2 ))
OR { 547}
(( segid "MBD " and resid 92 and name HG2 ))
(( segid "MBD " and resid 93 and name HB1 ))
OR { 547}
(( segid "MBD " and resid 92 and name HG1 ))
(( segid "MBD " and resid 93 and name HB1 ))
ASSI { 553}
(( segid "MBD " and resid 94 and name HB1 ))
(( segid "MBD " and resid 94 and name HB2 ))
1.400 0.200 0.800 peak 553 spectrum 1 weight 0.10000E+01 volume 0.60942E-01 ppm1 1.910 ppm2 2.016 CV 1
OR { 553}
(( segid "MBD " and resid 92 and name HB1 ))
(( segid "MBD " and resid 92 and name HB2 ))
OR { 553}
(( segid "MBD " and resid 102 and name HG2 ))
(( segid "MBD " and resid 102 and name HB1 ))
ASSI { 554}
(( segid "MBD " and resid 94 and name HB2 ))
(( segid "MBD " and resid 94 and name HB1 ))
1.400 0.200 0.800 peak 554 spectrum 1 weight 0.10000E+01 volume 0.52212E-01 ppm1 2.016 ppm2 1.910 CV 1
OR { 554}
(( segid "MBD " and resid 92 and name HB2 ))
(( segid "MBD " and resid 92 and name HB1 ))
ASSI { 556}
(( segid "MBD " and resid 94 and name HG1 ))
(( segid "MBD " and resid 94 and name HB2 ))
1.900 0.400 0.400 peak 556 spectrum 1 weight 0.10000E+01 volume 0.28204E-01 ppm1 1.909 ppm2 2.164 CV 1
OR { 556}
(( segid "MBD " and resid 94 and name HG2 ))
(( segid "MBD " and resid 94 and name HB2 ))
OR { 556}
(( segid "MBD " and resid 92 and name HG2 ))
(( segid "MBD " and resid 92 and name HB2 ))
OR { 556}
(( segid "MBD " and resid 92 and name HG1 ))
(( segid "MBD " and resid 92 and name HB2 ))
ASSI { 557}
(( segid "MBD " and resid 91 and name HA ))
(( segid "MBD " and resid 94 and name HG2 ))
4.800 2.900 1.200 peak 557 spectrum 1 weight 0.10000E+01 volume 0.20986E-03 ppm1 2.169 ppm2 4.540 CV 1
OR { 557}
(( segid "MBD " and resid 91 and name HA ))
(( segid "MBD " and resid 94 and name HG1 ))
OR { 557}
(( segid "MBD " and resid 91 and name HA ))
(( segid "MBD " and resid 92 and name HG2 ))
OR { 557}
(( segid "MBD " and resid 91 and name HA ))
(( segid "MBD " and resid 92 and name HG1 ))
ASSI { 558}
(( segid "MBD " and resid 117 and name HA ))
(( segid "MBD " and resid 117 and name HG2 ))
2.600 0.900 0.900 peak 558 spectrum 1 weight 0.10000E+01 volume 0.58087E-02 ppm1 2.192 ppm2 4.247 CV 1
OR { 558}
(( segid "MBD " and resid 117 and name HA ))
(( segid "MBD " and resid 117 and name HG1 ))
OR { 558}
(( segid "MBD " and resid 94 and name HA ))
(( segid "MBD " and resid 94 and name HG2 ))
OR { 558}
(( segid "MBD " and resid 94 and name HA ))
(( segid "MBD " and resid 94 and name HG1 ))
ASSI { 575}
(( segid "MBD " and resid 74 and name HB2 ))
( segid "MBD " and resid 95 and name HD1%)
4.700 2.700 1.300 peak 575 spectrum 1 weight 0.10000E+01 volume 0.34416E-03 ppm1 0.721 ppm2 3.820 CV 1
OR { 575}
(( segid "MBD " and resid 93 and name HB2 ))
( segid "MBD " and resid 95 and name HD1%)
OR { 575}
(( segid "MBD " and resid 93 and name HB1 ))
( segid "MBD " and resid 95 and name HD1%)
OR { 575}
(( segid "MBD " and resid 74 and name HB1 ))
( segid "MBD " and resid 95 and name HD1%)
ASSI { 579}
(( segid "MBD " and resid 92 and name HB1 ))
( segid "MBD " and resid 95 and name HD1%)
4.400 2.400 1.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.45329E-03 ppm1 0.721 ppm2 2.015 CV 1
OR { 579}
(( segid "MBD " and resid 94 and name HB1 ))
( segid "MBD " and resid 95 and name HD1%)
ASSI { 580}
(( segid "MBD " and resid 92 and name HB2 ))
( segid "MBD " and resid 95 and name HD1%)
4.500 2.600 1.500 peak 580 spectrum 1 weight 0.10000E+01 volume 0.34080E-03 ppm1 0.724 ppm2 1.911 CV 1
OR { 580}
(( segid "MBD " and resid 94 and name HB2 ))
( segid "MBD " and resid 95 and name HD1%)
ASSI { 601}
(( segid "MBD " and resid 72 and name HB ))
( segid "MBD " and resid 95 and name HG2%)
4.500 2.500 1.500 peak 601 spectrum 1 weight 0.10000E+01 volume 0.37102E-03 ppm1 0.775 ppm2 2.016 CV 1
OR { 601}
(( segid "MBD " and resid 94 and name HB1 ))
( segid "MBD " and resid 95 and name HG2%)
OR { 601}
(( segid "MBD " and resid 92 and name HB1 ))
( segid "MBD " and resid 95 and name HG2%)
ASSI { 602}
(( segid "MBD " and resid 97 and name HG1 ))
( segid "MBD " and resid 95 and name HG2%)
4.500 2.600 1.500 peak 602 spectrum 1 weight 0.10000E+01 volume 0.31562E-03 ppm1 0.772 ppm2 1.912 CV 1
OR { 602}
(( segid "MBD " and resid 94 and name HB2 ))
( segid "MBD " and resid 95 and name HG2%)
ASSI { 626}
(( segid "MBD " and resid 90 and name HG ))
( segid "MBD " and resid 90 and name HD1%)
2.300 0.700 0.700 peak 626 spectrum 1 weight 0.10000E+01 volume 0.80585E-02 ppm1 0.775 ppm2 1.483 CV 1
OR { 626}
(( segid "MBD " and resid 96 and name HB1 ))
( segid "MBD " and resid 96 and name HD1%)
ASSI { 645}
(( segid "MBD " and resid 73 and name HA ))
(( segid "MBD " and resid 73 and name HB2 ))
2.500 0.800 0.800 peak 645 spectrum 1 weight 0.10000E+01 volume 0.70845E-02 ppm1 1.828 ppm2 4.350 CV 1
OR { 645}
(( segid "MBD " and resid 97 and name HA ))
(( segid "MBD " and resid 97 and name HB2 ))
ASSI { 655}
( segid "MBD " and resid 95 and name HG2%)
(( segid "MBD " and resid 97 and name HD1 ))
3.600 1.600 1.600 peak 655 spectrum 1 weight 0.10000E+01 volume 0.11248E-02 ppm1 3.649 ppm2 0.755 CV 1
OR { 655}
( segid "MBD " and resid 96 and name HD1%)
(( segid "MBD " and resid 97 and name HD1 ))
OR { 655}
( segid "MBD " and resid 96 and name HD2%)
(( segid "MBD " and resid 97 and name HD1 ))
ASSI { 656}
( segid "MBD " and resid 96 and name HD1%)
(( segid "MBD " and resid 97 and name HD2 ))
3.600 1.600 1.600 peak 656 spectrum 1 weight 0.10000E+01 volume 0.10896E-02 ppm1 3.338 ppm2 0.755 CV 1
OR { 656}
( segid "MBD " and resid 96 and name HD2%)
(( segid "MBD " and resid 97 and name HD2 ))
OR { 656}
( segid "MBD " and resid 95 and name HG2%)
(( segid "MBD " and resid 97 and name HD2 ))
ASSI { 672}
( segid "MBD " and resid 96 and name HD1%)
(( segid "MBD " and resid 97 and name HG1 ))
3.900 1.900 1.900 peak 672 spectrum 1 weight 0.10000E+01 volume 0.99053E-03 ppm1 1.901 ppm2 0.755 CV 1
OR { 672}
( segid "MBD " and resid 95 and name HG2%)
(( segid "MBD " and resid 97 and name HG1 ))
OR { 672}
( segid "MBD " and resid 96 and name HD2%)
(( segid "MBD " and resid 97 and name HG1 ))
ASSI { 673}
( segid "MBD " and resid 95 and name HG2%)
(( segid "MBD " and resid 97 and name HG2 ))
4.300 2.300 1.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.55065E-03 ppm1 1.822 ppm2 0.755 CV 1
OR { 673}
( segid "MBD " and resid 96 and name HD1%)
(( segid "MBD " and resid 97 and name HG2 ))
OR { 673}
( segid "MBD " and resid 96 and name HD2%)
(( segid "MBD " and resid 97 and name HG2 ))
ASSI { 688}
(( segid "MBD " and resid 99 and name HD2 ))
(( segid "MBD " and resid 98 and name HA ))
2.400 0.700 0.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.46000E-02 ppm1 4.575 ppm2 2.961 CV 1
OR { 688}
(( segid "MBD " and resid 104 and name HB1 ))
(( segid "MBD " and resid 104 and name HA ))
ASSI { 692}
(( segid "MBD " and resid 99 and name HB2 ))
(( segid "MBD " and resid 99 and name HA ))
2.800 1.000 1.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.38110E-02 ppm1 4.170 ppm2 1.730 CV 1
OR { 692}
(( segid "MBD " and resid 108 and name HB2 ))
(( segid "MBD " and resid 108 and name HA ))
ASSI { 704}
(( segid "MBD " and resid 99 and name HB2 ))
(( segid "MBD " and resid 100 and name HA ))
4.200 2.200 1.800 peak 704 spectrum 1 weight 0.10000E+01 volume 0.45497E-03 ppm1 4.958 ppm2 1.736 CV 1
OR { 704}
(( segid "MRG " and resid 228 and name HB1 ))
(( segid "MBD " and resid 100 and name HA ))
ASSI { 705}
( segid "MRG " and resid 273 and name HE% )
(( segid "MBD " and resid 100 and name HA ))
3.300 1.400 1.400 peak 705 spectrum 1 weight 0.10000E+01 volume 0.52715E-03 ppm1 4.958 ppm2 1.902 CV 1
OR { 705}
(( segid "MBD " and resid 102 and name HB2 ))
(( segid "MBD " and resid 100 and name HA ))
OR { 705}
(( segid "MBD " and resid 97 and name HG1 ))
(( segid "MBD " and resid 100 and name HA ))
ASSI { 785}
(( segid "MRG " and resid 233 and name HA ))
(( segid "MBD " and resid 105 and name HB1 ))
4.700 2.700 1.300 peak 785 spectrum 1 weight 0.10000E+01 volume 0.26190E-03 ppm1 2.496 ppm2 4.508 CV 1
OR { 785}
(( segid "MRG " and resid 234 and name HA ))
(( segid "MBD " and resid 105 and name HB1 ))
ASSI { 793}
(( segid "MRG " and resid 172 and name HD1 ))
(( segid "MBD " and resid 106 and name HA ))
3.900 1.900 1.900 peak 793 spectrum 1 weight 0.10000E+01 volume 0.56746E-03 ppm1 4.169 ppm2 -0.579 CV 1
OR { 793}
( segid "MRG " and resid 235 and name HD% )
(( segid "MBD " and resid 106 and name HA ))
ASSI { 794}
( segid "MRG " and resid 235 and name HE% )
(( segid "MBD " and resid 106 and name HA ))
3.000 1.200 1.200 peak 794 spectrum 1 weight 0.10000E+01 volume 0.15882E-02 ppm1 4.169 ppm2 -1.136 CV 1
OR { 794}
( segid "MBD " and resid 105 and name HD% )
(( segid "MBD " and resid 106 and name HA ))
ASSI { 809}
( segid "MRG " and resid 235 and name HE% )
( segid "MBD " and resid 106 and name HG1%)
3.500 1.500 1.500 peak 809 spectrum 1 weight 0.10000E+01 volume 0.72859E-03 ppm1 0.807 ppm2 -1.136 CV 1
OR { 809}
( segid "MBD " and resid 105 and name HD% )
( segid "MBD " and resid 106 and name HG1%)
ASSI { 813}
(( segid "MRG " and resid 223 and name HG1 ))
( segid "MBD " and resid 76 and name HG2%)
3.300 1.400 1.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.56746E-03 ppm1 0.735 ppm2 2.218 CV 1
OR { 813}
(( segid "MBD " and resid 73 and name HB1 ))
( segid "MBD " and resid 76 and name HG2%)
ASSI { 814}
( segid "MRG " and resid 235 and name HD% )
( segid "MBD " and resid 106 and name HG2%)
3.200 3.200 2.800 peak 814 spectrum 1 weight 0.10000E+01 volume 0.54057E-03 ppm1 0.734 ppm2 -0.586 CV 1
OR { 814}
(( segid "MRG " and resid 172 and name HD1 ))
( segid "MBD " and resid 106 and name HG2%)
ASSI { 823}
( segid "MBD " and resid 111 and name HD1%)
(( segid "MBD " and resid 107 and name HA ))
3.300 1.300 1.300 peak 823 spectrum 1 weight 0.10000E+01 volume 0.43482E-03 ppm1 4.243 ppm2 0.869 CV 1
OR { 823}
( segid "MRG " and resid 168 and name HD2%)
(( segid "MBD " and resid 107 and name HA ))
ASSI { 834}
(( segid "MRG " and resid 172 and name HB2 ))
(( segid "MBD " and resid 107 and name HB1 ))
4.400 2.500 1.600 peak 834 spectrum 1 weight 0.10000E+01 volume 0.28708E-03 ppm1 1.700 ppm2 3.680 CV 1
OR { 834}
(( segid "MRG " and resid 169 and name HA ))
(( segid "MBD " and resid 107 and name HB1 ))
ASSI { 835}
(( segid "MRG " and resid 172 and name HB2 ))
(( segid "MBD " and resid 107 and name HB2 ))
3.300 1.400 1.400 peak 835 spectrum 1 weight 0.10000E+01 volume 0.54224E-03 ppm1 1.224 ppm2 3.682 CV 1
OR { 835}
(( segid "MRG " and resid 169 and name HA ))
(( segid "MBD " and resid 107 and name HB2 ))
ASSI { 839}
(( segid "MRG " and resid 172 and name HB2 ))
( segid "MBD " and resid 107 and name HD1%)
3.100 1.200 1.200 peak 839 spectrum 1 weight 0.10000E+01 volume 0.17124E-02 ppm1 0.976 ppm2 3.680 CV 1
OR { 839}
(( segid "MRG " and resid 169 and name HA ))
( segid "MBD " and resid 107 and name HD1%)
ASSI { 844}
(( segid "MBD " and resid 107 and name HB1 ))
( segid "MBD " and resid 107 and name HD1%)
3.100 1.200 1.200 peak 844 spectrum 1 weight 0.10000E+01 volume 0.33409E-02 ppm1 0.975 ppm2 1.703 CV 1
OR { 844}
(( segid "MBD " and resid 111 and name HB ))
( segid "MBD " and resid 107 and name HD1%)
ASSI { 856}
( segid "MRG " and resid 169 and name HG2%)
( segid "MBD " and resid 107 and name HD2%)
2.400 0.700 0.700 peak 856 spectrum 1 weight 0.10000E+01 volume 0.67828E-02 ppm1 0.648 ppm2 0.847 CV 1
OR { 856}
( segid "MBD " and resid 111 and name HD1%)
( segid "MBD " and resid 107 and name HD2%)
ASSI { 864}
(( segid "MRG " and resid 172 and name HA ))
( segid "MBD " and resid 107 and name HD2%)
4.200 2.200 1.800 peak 864 spectrum 1 weight 0.10000E+01 volume 0.11500E-02 ppm1 0.649 ppm2 3.955 CV 1
OR { 864}
(( segid "MBD " and resid 108 and name HD1 ))
( segid "MBD " and resid 107 and name HD2%)
ASSI { 870}
(( segid "MRG " and resid 168 and name HB1 ))
( segid "MBD " and resid 107 and name HD2%)
3.200 1.300 1.300 peak 870 spectrum 1 weight 0.10000E+01 volume 0.11114E-02 ppm1 0.647 ppm2 2.124 CV 1
OR { 870}
(( segid "MRG " and resid 169 and name HB ))
( segid "MBD " and resid 107 and name HD2%)
ASSI { 872}
(( segid "MBD " and resid 112 and name HG11))
( segid "MBD " and resid 107 and name HD2%)
2.500 0.800 0.800 peak 872 spectrum 1 weight 0.10000E+01 volume 0.55905E-02 ppm1 0.649 ppm2 1.038 CV 1
OR { 872}
( segid "MRG " and resid 169 and name HG1%)
( segid "MBD " and resid 107 and name HD2%)
ASSI { 873}
(( segid "MRG " and resid 169 and name HA ))
( segid "MBD " and resid 107 and name HD2%)
2.500 0.800 0.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.36431E-02 ppm1 0.649 ppm2 3.680 CV 1
OR { 873}
(( segid "MRG " and resid 172 and name HB2 ))
( segid "MBD " and resid 107 and name HD2%)
ASSI { 876}
(( segid "MRG " and resid 172 and name HZ3 ))
( segid "MBD " and resid 107 and name HD2%)
3.600 1.600 1.600 peak 876 spectrum 1 weight 0.10000E+01 volume 0.57586E-03 ppm1 0.645 ppm2 -1.154 CV 1
OR { 876}
( segid "MBD " and resid 105 and name HD% )
( segid "MBD " and resid 107 and name HD2%)
ASSI { 884}
(( segid "MBD " and resid 108 and name HG2 ))
(( segid "MBD " and resid 108 and name HA ))
3.800 1.800 1.800 peak 884 spectrum 1 weight 0.10000E+01 volume 0.17796E-02 ppm1 4.165 ppm2 1.941 CV 1
OR { 884}
(( segid "MBD " and resid 109 and name HB1 ))
(( segid "MBD " and resid 108 and name HA ))
OR { 884}
(( segid "MBD " and resid 109 and name HB2 ))
(( segid "MBD " and resid 108 and name HA ))
ASSI { 888}
(( segid "MBD " and resid 112 and name HG11))
(( segid "MBD " and resid 108 and name HA ))
3.600 1.700 1.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.22832E-03 ppm1 4.165 ppm2 1.056 CV 1
OR { 888}
(( segid "MBD " and resid 111 and name HG12))
(( segid "MBD " and resid 108 and name HA ))
ASSI { 893}
(( segid "MBD " and resid 108 and name HD1 ))
(( segid "MBD " and resid 108 and name HB1 ))
4.700 2.800 1.300 peak 893 spectrum 1 weight 0.10000E+01 volume 0.33745E-03 ppm1 2.466 ppm2 3.955 CV 1
OR { 893}
(( segid "MBD " and resid 110 and name HA ))
(( segid "MBD " and resid 108 and name HB1 ))
ASSI { 894}
(( segid "MBD " and resid 108 and name HD1 ))
(( segid "MBD " and resid 108 and name HB2 ))
5.000 3.100 1.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.20986E-03 ppm1 1.741 ppm2 3.945 CV 1
OR { 894}
(( segid "MBD " and resid 110 and name HA ))
(( segid "MBD " and resid 108 and name HB2 ))
ASSI { 898}
(( segid "MBD " and resid 108 and name HG2 ))
(( segid "MBD " and resid 108 and name HB2 ))
2.500 0.800 0.800 peak 898 spectrum 1 weight 0.10000E+01 volume 0.29547E-02 ppm1 1.746 ppm2 1.947 CV 1
OR { 898}
(( segid "MBD " and resid 110 and name HB1 ))
(( segid "MBD " and resid 108 and name HB2 ))
ASSI { 901}
(( segid "MBD " and resid 108 and name HB2 ))
(( segid "MBD " and resid 108 and name HD2 ))
3.400 1.500 1.500 peak 901 spectrum 1 weight 0.10000E+01 volume 0.67655E-03 ppm1 3.352 ppm2 1.721 CV 1
OR { 901}
(( segid "MBD " and resid 107 and name HB1 ))
(( segid "MBD " and resid 108 and name HD2 ))
ASSI { 908}
(( segid "MBD " and resid 108 and name HB2 ))
(( segid "MBD " and resid 108 and name HD1 ))
4.700 2.700 1.300 peak 908 spectrum 1 weight 0.10000E+01 volume 0.39117E-03 ppm1 3.949 ppm2 1.721 CV 1
OR { 908}
(( segid "MBD " and resid 107 and name HB1 ))
(( segid "MBD " and resid 108 and name HD1 ))
ASSI { 917}
( segid "MRG " and resid 168 and name HD1%)
(( segid "MBD " and resid 108 and name HD1 ))
3.800 1.800 1.800 peak 917 spectrum 1 weight 0.10000E+01 volume 0.96699E-03 ppm1 3.952 ppm2 1.058 CV 1
OR { 917}
(( segid "MBD " and resid 111 and name HG12))
(( segid "MBD " and resid 108 and name HD1 ))
ASSI { 918}
( segid "MRG " and resid 168 and name HD1%)
(( segid "MBD " and resid 108 and name HD2 ))
3.600 1.600 1.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.10543E-02 ppm1 3.352 ppm2 1.058 CV 1
OR { 918}
(( segid "MBD " and resid 112 and name HG11))
(( segid "MBD " and resid 108 and name HD2 ))
OR { 918}
(( segid "MBD " and resid 111 and name HG12))
(( segid "MBD " and resid 108 and name HD2 ))
ASSI { 942}
( segid "MRG " and resid 169 and name HG2%)
(( segid "MBD " and resid 109 and name HA ))
3.800 1.800 1.800 peak 942 spectrum 1 weight 0.10000E+01 volume 0.29547E-03 ppm1 3.648 ppm2 0.827 CV 1
OR { 942}
( segid "MBD " and resid 106 and name HG1%)
(( segid "MBD " and resid 109 and name HA ))
ASSI { 947}
( segid "MBD " and resid 112 and name HG2%)
(( segid "MBD " and resid 109 and name HB1 ))
3.800 1.800 1.800 peak 947 spectrum 1 weight 0.10000E+01 volume 0.67655E-03 ppm1 1.913 ppm2 0.583 CV 1
OR { 947}
( segid "MBD " and resid 112 and name HG2%)
(( segid "MBD " and resid 114 and name HB2 ))
ASSI { 948}
(( segid "MBD " and resid 108 and name HA ))
(( segid "MBD " and resid 110 and name HG1 ))
3.500 1.600 1.600 peak 948 spectrum 1 weight 0.10000E+01 volume 0.21321E-02 ppm1 2.227 ppm2 4.163 CV 1
OR { 948}
(( segid "MBD " and resid 108 and name HA ))
(( segid "MBD " and resid 109 and name HG1 ))
OR { 948}
(( segid "MBD " and resid 108 and name HA ))
(( segid "MBD " and resid 110 and name HG2 ))
ASSI { 952}
( segid "MBD " and resid 112 and name HG2%)
(( segid "MBD " and resid 109 and name HG2 ))
2.900 2.900 3.100 peak 952 spectrum 1 weight 0.10000E+01 volume 0.13834E-02 ppm1 2.223 ppm2 0.582 CV 1
OR { 952}
( segid "MBD " and resid 112 and name HG2%)
(( segid "MBD " and resid 109 and name HG1 ))
OR { 952}
( segid "MBD " and resid 112 and name HG2%)
(( segid "MBD " and resid 117 and name HG1 ))
OR { 952}
( segid "MBD " and resid 112 and name HG2%)
(( segid "MBD " and resid 117 and name HG2 ))
ASSI { 953}
(( segid "MBD " and resid 110 and name HB2 ))
(( segid "MBD " and resid 110 and name HA ))
2.000 0.500 0.500 peak 953 spectrum 1 weight 0.10000E+01 volume 0.19978E-01 ppm1 3.961 ppm2 1.946 CV 1
OR { 953}
(( segid "MBD " and resid 110 and name HB1 ))
(( segid "MBD " and resid 110 and name HA ))
OR { 953}
(( segid "MBD " and resid 114 and name HB2 ))
(( segid "MBD " and resid 114 and name HA ))
ASSI { 963}
(( segid "MBD " and resid 111 and name HB ))
(( segid "MBD " and resid 111 and name HA ))
3.000 1.100 1.100 peak 963 spectrum 1 weight 0.10000E+01 volume 0.19474E-02 ppm1 3.774 ppm2 1.740 CV 1
OR { 963}
(( segid "MBD " and resid 108 and name HB2 ))
(( segid "MBD " and resid 111 and name HA ))
ASSI { 966}
( segid "MBD " and resid 115 and name HG2%)
(( segid "MBD " and resid 111 and name HA ))
2.500 0.800 0.800 peak 966 spectrum 1 weight 0.10000E+01 volume 0.10862E-01 ppm1 3.771 ppm2 0.858 CV 1
OR { 966}
( segid "MBD " and resid 111 and name HD1%)
(( segid "MBD " and resid 111 and name HA ))
ASSI { 969}
(( segid "MBD " and resid 114 and name HB2 ))
(( segid "MBD " and resid 111 and name HA ))
2.800 1.000 1.000 peak 969 spectrum 1 weight 0.10000E+01 volume 0.30890E-02 ppm1 3.772 ppm2 1.951 CV 1
OR { 969}
(( segid "MBD " and resid 110 and name HB1 ))
(( segid "MBD " and resid 111 and name HA ))
OR { 969}
(( segid "MRG " and resid 165 and name HB1 ))
(( segid "MBD " and resid 111 and name HA ))
OR { 969}
(( segid "MBD " and resid 110 and name HB2 ))
(( segid "MBD " and resid 111 and name HA ))
ASSI { 973}
(( segid "MBD " and resid 111 and name HG12))
(( segid "MBD " and resid 111 and name HB ))
2.900 1.000 1.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.23336E-02 ppm1 1.738 ppm2 1.017 CV 1
OR { 973}
(( segid "MBD " and resid 112 and name HG11))
(( segid "MBD " and resid 111 and name HB ))
ASSI { 979}
(( segid "MBD " and resid 111 and name HB ))
( segid "MBD " and resid 111 and name HD1%)
2.200 0.600 0.600 peak 979 spectrum 1 weight 0.10000E+01 volume 0.64299E-02 ppm1 0.871 ppm2 1.743 CV 1
OR { 979}
(( segid "MBD " and resid 108 and name HB2 ))
( segid "MBD " and resid 111 and name HD1%)
ASSI { 987}
(( segid "MBD " and resid 111 and name HG12))
( segid "MBD " and resid 111 and name HD1%)
2.100 0.500 0.500 peak 987 spectrum 1 weight 0.10000E+01 volume 0.98547E-02 ppm1 0.870 ppm2 1.037 CV 1
OR { 987}
( segid "MRG " and resid 168 and name HD1%)
( segid "MBD " and resid 111 and name HD1%)
ASSI { 991}
(( segid "MRG " and resid 165 and name HE1 ))
( segid "MBD " and resid 111 and name HD1%)
3.500 1.500 1.500 peak 991 spectrum 1 weight 0.10000E+01 volume 0.34920E-03 ppm1 0.867 ppm2 2.891 CV 1
OR { 991}
(( segid "MRG " and resid 167 and name HB2 ))
( segid "MBD " and resid 111 and name HD1%)
ASSI { 992}
(( segid "MRG " and resid 165 and name HE2 ))
( segid "MBD " and resid 111 and name HD1%)
3.300 1.400 1.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.95190E-03 ppm1 0.868 ppm2 2.719 CV 1
OR { 992}
(( segid "MRG " and resid 268 and name HB ))
( segid "MBD " and resid 111 and name HD1%)
ASSI { 996}
(( segid "MBD " and resid 110 and name HB1 ))
(( segid "MBD " and resid 111 and name HG11))
3.300 1.300 1.300 peak 996 spectrum 1 weight 0.10000E+01 volume 0.27869E-02 ppm1 1.661 ppm2 1.935 CV 1
OR { 996}
(( segid "MBD " and resid 108 and name HG2 ))
(( segid "MBD " and resid 111 and name HG11))
OR { 996}
(( segid "MBD " and resid 110 and name HB2 ))
(( segid "MBD " and resid 111 and name HG11))
ASSI { 997}
(( segid "MBD " and resid 110 and name HB1 ))
(( segid "MBD " and resid 111 and name HG12))
4.200 2.200 1.800 peak 997 spectrum 1 weight 0.10000E+01 volume 0.99387E-03 ppm1 1.019 ppm2 1.935 CV 1
OR { 997}
(( segid "MRG " and resid 165 and name HB1 ))
(( segid "MBD " and resid 111 and name HG12))
OR { 997}
(( segid "MBD " and resid 109 and name HB2 ))
(( segid "MBD " and resid 112 and name HG11))
OR { 997}
(( segid "MBD " and resid 109 and name HB1 ))
(( segid "MBD " and resid 112 and name HG11))
OR { 997}
(( segid "MBD " and resid 108 and name HG2 ))
(( segid "MBD " and resid 111 and name HG12))
OR { 997}
(( segid "MBD " and resid 110 and name HB2 ))
(( segid "MBD " and resid 111 and name HG12))
ASSI { 1002}
(( segid "MBD " and resid 111 and name HB ))
(( segid "MBD " and resid 111 and name HG12))
3.000 1.100 1.100 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.25350E-02 ppm1 1.018 ppm2 1.749 CV 1
OR { 1002}
(( segid "MBD " and resid 111 and name HB ))
(( segid "MBD " and resid 112 and name HG11))
OR { 1002}
(( segid "MBD " and resid 108 and name HB2 ))
(( segid "MBD " and resid 111 and name HG12))
ASSI { 1006}
( segid "MBD " and resid 111 and name HD1%)
(( segid "MBD " and resid 111 and name HG12))
2.300 0.700 0.700 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.65640E-02 ppm1 1.018 ppm2 0.864 CV 1
OR { 1006}
( segid "MRG " and resid 169 and name HG2%)
(( segid "MBD " and resid 112 and name HG11))
ASSI { 1009}
(( segid "MRG " and resid 169 and name HA ))
( segid "MBD " and resid 111 and name HG2%)
4.000 2.000 2.000 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.73032E-03 ppm1 0.723 ppm2 3.671 CV 1
OR { 1009}
(( segid "MBD " and resid 109 and name HA ))
( segid "MBD " and resid 111 and name HG2%)
ASSI { 1012}
(( segid "MBD " and resid 111 and name HG11))
( segid "MBD " and resid 111 and name HG2%)
2.700 0.900 0.900 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.59262E-02 ppm1 0.724 ppm2 1.637 CV 1
OR { 1012}
(( segid "MRG " and resid 165 and name HG2 ))
( segid "MBD " and resid 111 and name HG2%)
OR { 1012}
(( segid "MRG " and resid 165 and name HB2 ))
( segid "MBD " and resid 111 and name HG2%)
ASSI { 1013}
(( segid "MBD " and resid 111 and name HG12))
( segid "MBD " and resid 111 and name HG2%)
2.400 0.700 0.700 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.46336E-02 ppm1 0.724 ppm2 1.037 CV 1
OR { 1013}
( segid "MRG " and resid 168 and name HD1%)
( segid "MBD " and resid 111 and name HG2%)
ASSI { 1014}
( segid "MBD " and resid 111 and name HD1%)
( segid "MBD " and resid 111 and name HG2%)
1.900 0.500 0.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.19474E-01 ppm1 0.725 ppm2 0.865 CV 1
OR { 1014}
( segid "MBD " and resid 115 and name HG2%)
( segid "MBD " and resid 111 and name HG2%)
ASSI { 1018}
(( segid "MRG " and resid 165 and name HB1 ))
( segid "MBD " and resid 111 and name HG2%)
2.900 1.100 1.100 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.16956E-02 ppm1 0.727 ppm2 1.960 CV 1
OR { 1018}
(( segid "MBD " and resid 115 and name HB ))
( segid "MBD " and resid 111 and name HG2%)
OR { 1018}
(( segid "MBD " and resid 108 and name HG2 ))
( segid "MBD " and resid 111 and name HG2%)
ASSI { 1019}
(( segid "MRG " and resid 168 and name HB1 ))
( segid "MBD " and resid 111 and name HG2%)
3.200 1.300 1.300 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.20818E-02 ppm1 0.728 ppm2 2.138 CV 1
OR { 1019}
(( segid "MBD " and resid 114 and name HB1 ))
( segid "MBD " and resid 111 and name HG2%)
OR { 1019}
(( segid "MRG " and resid 169 and name HB ))
( segid "MBD " and resid 111 and name HG2%)
ASSI { 1020}
(( segid "MBD " and resid 114 and name HG1 ))
( segid "MBD " and resid 111 and name HG2%)
5.100 3.300 0.900 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.21657E-03 ppm1 0.722 ppm2 2.395 CV 1
OR { 1020}
(( segid "MRG " and resid 162 and name HG2 ))
( segid "MBD " and resid 111 and name HG2%)
ASSI { 1021}
(( segid "MRG " and resid 165 and name HA ))
( segid "MBD " and resid 111 and name HG2%)
3.100 1.200 1.200 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.17292E-02 ppm1 0.724 ppm2 3.914 CV 1
OR { 1021}
(( segid "MBD " and resid 108 and name HD1 ))
( segid "MBD " and resid 111 and name HG2%)
ASSI { 1029}
(( segid "MBD " and resid 112 and name HG11))
(( segid "MBD " and resid 112 and name HA ))
3.000 1.100 1.100 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.21489E-02 ppm1 3.244 ppm2 1.038 CV 1
OR { 1029}
( segid "MRG " and resid 169 and name HG1%)
(( segid "MBD " and resid 112 and name HA ))
ASSI { 1033}
(( segid "MBD " and resid 115 and name HB ))
(( segid "MBD " and resid 112 and name HA ))
3.300 1.400 1.400 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.83101E-03 ppm1 3.243 ppm2 1.992 CV 1
OR { 1033}
(( segid "MBD " and resid 113 and name HB2 ))
(( segid "MBD " and resid 112 and name HA ))
ASSI { 1034}
(( segid "MBD " and resid 116 and name HG1 ))
(( segid "MBD " and resid 112 and name HA ))
4.200 2.200 1.800 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.24679E-03 ppm1 3.244 ppm2 1.738 CV 1
OR { 1034}
(( segid "MBD " and resid 111 and name HB ))
(( segid "MBD " and resid 112 and name HA ))
ASSI { 1038}
(( segid "MBD " and resid 109 and name HG2 ))
(( segid "MBD " and resid 112 and name HB ))
4.800 2.800 1.200 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.26862E-03 ppm1 1.527 ppm2 2.224 CV 1
OR { 1038}
(( segid "MBD " and resid 109 and name HG1 ))
(( segid "MBD " and resid 112 and name HB ))
OR { 1038}
(( segid "MBD " and resid 110 and name HG1 ))
(( segid "MBD " and resid 112 and name HB ))
ASSI { 1044}
( segid "MRG " and resid 169 and name HG2%)
(( segid "MBD " and resid 112 and name HB ))
3.200 1.300 1.300 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.10274E-02 ppm1 1.520 ppm2 0.832 CV 1
OR { 1044}
( segid "MBD " and resid 115 and name HG2%)
(( segid "MBD " and resid 112 and name HB ))
OR { 1044}
( segid "MBD " and resid 115 and name HG1%)
(( segid "MBD " and resid 112 and name HB ))
ASSI { 1049}
(( segid "MBD " and resid 109 and name HA ))
(( segid "MBD " and resid 112 and name HG11))
4.100 2.100 1.900 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.29380E-03 ppm1 1.017 ppm2 3.649 CV 1
OR { 1049}
(( segid "MRG " and resid 169 and name HA ))
(( segid "MBD " and resid 112 and name HG11))
ASSI { 1050}
(( segid "MRG " and resid 169 and name HA ))
(( segid "MBD " and resid 112 and name HG12))
4.600 2.700 1.400 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.19978E-03 ppm1 0.082 ppm2 3.651 CV 1
OR { 1050}
(( segid "MBD " and resid 109 and name HA ))
(( segid "MBD " and resid 112 and name HG12))
ASSI { 1063}
(( segid "MBD " and resid 109 and name HA ))
( segid "MBD " and resid 112 and name HG2%)
4.000 2.000 2.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.13195E-02 ppm1 0.578 ppm2 3.661 CV 1
OR { 1063}
(( segid "MRG " and resid 169 and name HA ))
( segid "MBD " and resid 112 and name HG2%)
ASSI { 1064}
(( segid "MBD " and resid 109 and name HG2 ))
( segid "MBD " and resid 112 and name HG2%)
4.400 2.400 1.600 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.52715E-03 ppm1 0.578 ppm2 2.224 CV 1
OR { 1064}
(( segid "MBD " and resid 109 and name HG1 ))
( segid "MBD " and resid 112 and name HG2%)
OR { 1064}
(( segid "MBD " and resid 110 and name HG1 ))
( segid "MBD " and resid 112 and name HG2%)
ASSI { 1073}
( segid "MRG " and resid 169 and name HG2%)
( segid "MBD " and resid 112 and name HG2%)
2.500 0.800 0.800 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.12088E-01 ppm1 0.579 ppm2 0.837 CV 1
OR { 1073}
( segid "MBD " and resid 115 and name HG2%)
( segid "MBD " and resid 112 and name HG2%)
ASSI { 1074}
(( segid "MBD " and resid 116 and name HG1 ))
( segid "MBD " and resid 112 and name HG2%)
3.000 1.100 1.100 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.22832E-02 ppm1 0.581 ppm2 1.733 CV 1
OR { 1074}
(( segid "MBD " and resid 107 and name HB1 ))
( segid "MBD " and resid 112 and name HG2%)
ASSI { 1077}
( segid "MRG " and resid 169 and name HG1%)
( segid "MBD " and resid 112 and name HG2%)
2.700 0.900 0.900 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.42139E-02 ppm1 0.578 ppm2 1.038 CV 1
OR { 1077}
(( segid "MBD " and resid 112 and name HG11))
( segid "MBD " and resid 112 and name HG2%)
ASSI { 1088}
( segid "MBD " and resid 111 and name HD1%)
(( segid "MBD " and resid 110 and name HB1 ))
3.500 1.500 1.500 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.46504E-03 ppm1 1.962 ppm2 0.854 CV 1
OR { 1088}
( segid "MBD " and resid 111 and name HD1%)
(( segid "MBD " and resid 110 and name HB2 ))
OR { 1088}
( segid "MBD " and resid 115 and name HG2%)
(( segid "MBD " and resid 113 and name HB1 ))
OR { 1088}
( segid "MBD " and resid 115 and name HG2%)
(( segid "MBD " and resid 113 and name HB2 ))
OR { 1088}
( segid "MRG " and resid 169 and name HG2%)
(( segid "MBD " and resid 113 and name HB2 ))
OR { 1088}
( segid "MBD " and resid 115 and name HG1%)
(( segid "MBD " and resid 113 and name HB1 ))
OR { 1088}
( segid "MBD " and resid 115 and name HG2%)
(( segid "MBD " and resid 110 and name HB2 ))
ASSI { 1114}
(( segid "MBD " and resid 111 and name HA ))
(( segid "MBD " and resid 114 and name HG2 ))
3.300 1.400 1.400 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.15580E-02 ppm1 2.156 ppm2 3.776 CV 1
OR { 1114}
(( segid "MBD " and resid 115 and name HA ))
(( segid "MBD " and resid 114 and name HG2 ))
ASSI { 1125}
(( segid "MBD " and resid 115 and name HB ))
(( segid "MBD " and resid 115 and name HA ))
3.000 1.100 1.100 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.23336E-02 ppm1 3.755 ppm2 1.969 CV 1
OR { 1125}
(( segid "MRG " and resid 165 and name HB1 ))
(( segid "MBD " and resid 115 and name HA ))
ASSI { 1138}
(( segid "MBD " and resid 116 and name HG2 ))
( segid "MBD " and resid 115 and name HG1%)
2.900 1.000 1.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.56913E-02 ppm1 0.848 ppm2 1.602 CV 1
OR { 1138}
(( segid "MRG " and resid 165 and name HB2 ))
( segid "MBD " and resid 115 and name HG1%)
OR { 1138}
(( segid "MRG " and resid 166 and name HB2 ))
( segid "MBD " and resid 115 and name HG1%)
ASSI { 1139}
(( segid "MRG " and resid 165 and name HA ))
( segid "MBD " and resid 115 and name HG1%)
3.500 1.600 1.600 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.15177E-02 ppm1 0.851 ppm2 3.916 CV 1
OR { 1139}
(( segid "MBD " and resid 114 and name HA ))
( segid "MBD " and resid 115 and name HG1%)
ASSI { 1148}
(( segid "MBD " and resid 115 and name HA ))
( segid "MBD " and resid 115 and name HG2%)
2.600 0.800 0.800 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.50029E-02 ppm1 0.851 ppm2 3.761 CV 1
OR { 1148}
(( segid "MRG " and resid 166 and name HD1 ))
( segid "MBD " and resid 115 and name HG2%)
ASSI { 1153}
(( segid "MBD " and resid 114 and name HB1 ))
( segid "MBD " and resid 115 and name HG2%)
2.900 1.000 1.000 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.24343E-02 ppm1 0.850 ppm2 2.189 CV 1
OR { 1153}
(( segid "MRG " and resid 223 and name HG1 ))
( segid "MBD " and resid 76 and name HG1%)
OR { 1153}
(( segid "MBD " and resid 114 and name HG2 ))
( segid "MBD " and resid 115 and name HG2%)
OR { 1153}
(( segid "MRG " and resid 166 and name HB1 ))
( segid "MBD " and resid 115 and name HG2%)
ASSI { 1154}
(( segid "MRG " and resid 165 and name HB2 ))
( segid "MBD " and resid 115 and name HG2%)
2.900 1.100 1.100 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.29380E-02 ppm1 0.849 ppm2 1.587 CV 1
OR { 1154}
(( segid "MBD " and resid 77 and name HB ))
( segid "MBD " and resid 76 and name HG1%)
ASSI { 1156}
(( segid "MRG " and resid 166 and name HG2 ))
( segid "MBD " and resid 115 and name HG2%)
3.100 1.200 1.200 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.33241E-02 ppm1 0.850 ppm2 1.809 CV 1
OR { 1156}
(( segid "MBD " and resid 75 and name HB1 ))
( segid "MBD " and resid 76 and name HG1%)
OR { 1156}
(( segid "MBD " and resid 73 and name HB2 ))
( segid "MBD " and resid 76 and name HG1%)
ASSI { 1160}
(( segid "MBD " and resid 116 and name HG2 ))
(( segid "MBD " and resid 116 and name HA ))
2.600 0.800 0.800 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.39788E-02 ppm1 4.161 ppm2 1.584 CV 1
OR { 1160}
(( segid "MBD " and resid 119 and name HD1 ))
(( segid "MBD " and resid 119 and name HA ))
ASSI { 1161}
(( segid "MBD " and resid 116 and name HB1 ))
(( segid "MBD " and resid 116 and name HA ))
2.400 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.70344E-02 ppm1 4.167 ppm2 1.880 CV 1
OR { 1161}
(( segid "MBD " and resid 92 and name HB2 ))
(( segid "MBD " and resid 92 and name HA ))
OR { 1161}
(( segid "MBD " and resid 116 and name HB2 ))
(( segid "MBD " and resid 116 and name HA ))
ASSI { 1172}
(( segid "MBD " and resid 116 and name HG1 ))
(( segid "MBD " and resid 116 and name HD2 ))
2.200 0.600 0.600 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.96871E-02 ppm1 3.123 ppm2 1.719 CV 1
OR { 1172}
(( segid "MBD " and resid 116 and name HG1 ))
(( segid "MBD " and resid 116 and name HD1 ))
OR { 1172}
(( segid "MBD " and resid 70 and name HB2 ))
(( segid "MBD " and resid 70 and name HD1 ))
OR { 1172}
(( segid "MBD " and resid 103 and name HB1 ))
(( segid "MBD " and resid 103 and name HD1 ))
OR { 1172}
(( segid "MBD " and resid 70 and name HB2 ))
(( segid "MBD " and resid 70 and name HD2 ))
ASSI { 1178}
( segid "MBD " and resid 115 and name HG1%)
(( segid "MBD " and resid 116 and name HG1 ))
3.200 1.300 1.300 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.14975E-02 ppm1 1.737 ppm2 0.843 CV 1
OR { 1178}
( segid "MRG " and resid 169 and name HG2%)
(( segid "MBD " and resid 116 and name HG1 ))
OR { 1178}
( segid "MBD " and resid 115 and name HG2%)
(( segid "MBD " and resid 116 and name HG1 ))
ASSI { 1193}
(( segid "MBD " and resid 117 and name HB2 ))
(( segid "MBD " and resid 117 and name HA ))
2.200 0.600 0.600 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.12692E-01 ppm1 4.265 ppm2 2.030 CV 1
OR { 1193}
(( segid "MBD " and resid 94 and name HB1 ))
(( segid "MBD " and resid 94 and name HA ))
OR { 1193}
(( segid "MBD " and resid 117 and name HB1 ))
(( segid "MBD " and resid 117 and name HA ))
ASSI { 1197}
(( segid "MBD " and resid 119 and name HE2 ))
(( segid "MBD " and resid 119 and name HA ))
3.400 1.400 1.400 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.40292E-03 ppm1 4.142 ppm2 2.928 CV 1
OR { 1197}
(( segid "MBD " and resid 119 and name HE1 ))
(( segid "MBD " and resid 119 and name HA ))
OR { 1197}
(( segid "MBD " and resid 75 and name HE1 ))
(( segid "MBD " and resid 92 and name HA ))
ASSI { 1210}
(( segid "MBD " and resid 75 and name HD2 ))
(( segid "MBD " and resid 75 and name HG1 ))
1.800 0.400 0.400 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.37102E-01 ppm1 1.332 ppm2 1.594 CV 1
OR { 1210}
(( segid "MBD " and resid 119 and name HD1 ))
(( segid "MBD " and resid 119 and name HG2 ))
OR { 1210}
(( segid "MBD " and resid 75 and name HD1 ))
(( segid "MBD " and resid 75 and name HG2 ))
OR { 1210}
(( segid "MBD " and resid 119 and name HD2 ))
(( segid "MBD " and resid 119 and name HG1 ))
OR { 1210}
(( segid "MBD " and resid 119 and name HD1 ))
(( segid "MBD " and resid 119 and name HG1 ))
OR { 1210}
(( segid "MBD " and resid 119 and name HD2 ))
(( segid "MBD " and resid 119 and name HG2 ))
OR { 1210}
(( segid "MBD " and resid 75 and name HD2 ))
(( segid "MBD " and resid 75 and name HG2 ))
ASSI { 1231}
(( segid "MRG " and resid 169 and name HA ))
(( segid "MBD " and resid 112 and name HA ))
5.000 3.200 1.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.26022E-03 ppm1 3.250 ppm2 3.671 CV 1
OR { 1231}
(( segid "MBD " and resid 109 and name HA ))
(( segid "MBD " and resid 112 and name HA ))
ASSI { 1235}
(( segid "MRG " and resid 166 and name HA ))
( segid "MBD " and resid 111 and name HG2%)
4.200 2.200 1.800 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.61616E-03 ppm1 0.725 ppm2 4.025 CV 1
OR { 1235}
(( segid "MRG " and resid 168 and name HA ))
( segid "MBD " and resid 111 and name HG2%)
ASSI { 1249}
(( segid "MBD " and resid 112 and name HG11))
(( segid "MBD " and resid 107 and name HG ))
3.300 1.400 1.400 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.71852E-03 ppm1 1.433 ppm2 1.058 CV 1
OR { 1249}
(( segid "MBD " and resid 111 and name HG12))
(( segid "MBD " and resid 107 and name HG ))
ASSI { 1259}
(( segid "MRG " and resid 223 and name HG1 ))
( segid "MBD " and resid 77 and name HG2%)
4.200 2.200 1.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.18131E-03 ppm1 0.505 ppm2 2.200 CV 1
OR { 1259}
(( segid "MRG " and resid 218 and name HB ))
( segid "MBD " and resid 77 and name HG2%)
ASSI { 1262}
( segid "MRG " and resid 168 and name HD2%)
( segid "MBD " and resid 107 and name HD1%)
2.800 1.000 1.000 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.43650E-02 ppm1 0.978 ppm2 0.860 CV 1
OR { 1262}
( segid "MBD " and resid 111 and name HD1%)
( segid "MBD " and resid 107 and name HD1%)
ASSI { 1268}
(( segid "MBD " and resid 74 and name HB1 ))
( segid "MBD " and resid 76 and name HG2%)
4.000 2.000 2.000 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.71685E-03 ppm1 0.736 ppm2 3.770 CV 1
OR { 1268}
(( segid "MBD " and resid 74 and name HB2 ))
( segid "MBD " and resid 76 and name HG2%)
OR { 1268}
(( segid "MBD " and resid 73 and name HD1 ))
( segid "MBD " and resid 76 and name HG2%)
ASSI { 1277}
( segid "MBD " and resid 98 and name HE% )
( segid "MBD " and resid 96 and name HD1%)
3.900 1.900 1.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.54564E-03 ppm1 0.780 ppm2 -1.051 CV 1
OR { 1277}
( segid "MRG " and resid 224 and name HD% )
( segid "MBD " and resid 96 and name HD1%)
ASSI { 1278}
(( segid "MBD " and resid 97 and name HG1 ))
( segid "MBD " and resid 96 and name HD1%)
3.600 1.700 1.700 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.74540E-03 ppm1 0.773 ppm2 1.901 CV 1
OR { 1278}
(( segid "MRG " and resid 273 and name HB1 ))
( segid "MBD " and resid 96 and name HD1%)
OR { 1278}
(( segid "MRG " and resid 223 and name HB1 ))
( segid "MBD " and resid 96 and name HD1%)
OR { 1278}
(( segid "MBD " and resid 94 and name HB2 ))
( segid "MBD " and resid 96 and name HD1%)
OR { 1278}
(( segid "MBD " and resid 73 and name HG1 ))
( segid "MBD " and resid 96 and name HD1%)
ASSI { 1287}
(( segid "MBD " and resid 74 and name HA ))
( segid "MBD " and resid 72 and name HG1%)
3.700 1.800 1.800 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.53387E-03 ppm1 0.915 ppm2 4.274 CV 1
OR { 1287}
(( segid "MBD " and resid 70 and name HA ))
( segid "MBD " and resid 72 and name HG1%)
ASSI { 1292}
(( segid "MBD " and resid 87 and name HB2 ))
( segid "MBD " and resid 81 and name HD1%)
4.000 2.000 2.000 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.44489E-03 ppm1 0.724 ppm2 2.054 CV 1
OR { 1292}
(( segid "MRG " and resid 216 and name HB1 ))
( segid "MBD " and resid 81 and name HD1%)
OR { 1292}
(( segid "MRG " and resid 216 and name HB2 ))
( segid "MBD " and resid 81 and name HD1%)
ASSI { 1309}
(( segid "MRG " and resid 232 and name HG1 ))
(( segid "MBD " and resid 103 and name HG2 ))
3.600 1.700 1.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.32905E-03 ppm1 1.480 ppm2 2.323 CV 1
OR { 1309}
(( segid "MRG " and resid 232 and name HG2 ))
(( segid "MBD " and resid 103 and name HG2 ))
OR { 1309}
(( segid "MBD " and resid 88 and name HG2 ))
(( segid "MBD " and resid 90 and name HG ))
OR { 1309}
(( segid "MBD " and resid 88 and name HG1 ))
(( segid "MBD " and resid 90 and name HG ))
ASSI { 1327}
(( segid "MRG " and resid 222 and name HB2 ))
( segid "MBD " and resid 77 and name HD1%)
4.500 2.600 1.500 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.46336E-03 ppm1 0.609 ppm2 1.786 CV 1
OR { 1327}
(( segid "MBD " and resid 75 and name HB1 ))
( segid "MBD " and resid 77 and name HD1%)
ASSI { 1332}
( segid "MRG " and resid 290 and name HE% )
( segid "MBD " and resid 81 and name HD1%)
3.700 1.800 1.800 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.26190E-03 ppm1 0.717 ppm2 -1.274 CV 1
OR { 1332}
( segid "MRG " and resid 212 and name HE% )
( segid "MBD " and resid 81 and name HD1%)
ASSI { 15}
(( segid "MBD " and resid 71 and name HB1 ))
(( segid "MBD " and resid 72 and name HN ))
2.600 0.800 0.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.56519E-02 ppm1 8.101 ppm2 2.017 CV 1
OR { 15}
(( segid "MBD " and resid 72 and name HB ))
(( segid "MBD " and resid 72 and name HN ))
ASSI { 19}
(( segid "MBD " and resid 72 and name HA ))
(( segid "MBD " and resid 72 and name HN ))
2.100 0.500 0.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.14250E-01 ppm1 8.102 ppm2 4.348 CV 1
OR { 19}
(( segid "MBD " and resid 71 and name HA ))
(( segid "MBD " and resid 72 and name HN ))
ASSI { 36}
(( segid "MBD " and resid 75 and name HA ))
(( segid "MBD " and resid 75 and name HN ))
2.500 0.800 0.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.49303E-02 ppm1 8.161 ppm2 4.286 CV 1
OR { 36}
(( segid "MBD " and resid 74 and name HA ))
(( segid "MBD " and resid 75 and name HN ))
ASSI { 48}
(( segid "MBD " and resid 80 and name HB1 ))
(( segid "MBD " and resid 81 and name HN ))
2.800 1.000 1.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.27448E-02 ppm1 8.061 ppm2 3.040 CV 1
OR { 48}
(( segid "MBD " and resid 80 and name HB2 ))
(( segid "MBD " and resid 81 and name HN ))
OR { 48}
(( segid "MBD " and resid 85 and name HB1 ))
(( segid "MBD " and resid 86 and name HN ))
ASSI { 55}
(( segid "MBD " and resid 82 and name HA ))
(( segid "MBD " and resid 82 and name HN ))
3.300 1.400 1.400 peak 55 spectrum 1 weight 0.10000E+01 volume 0.83877E-03 ppm1 8.129 ppm2 4.287 CV 1
OR { 55}
(( segid "MBD " and resid 83 and name HA ))
(( segid "MBD " and resid 82 and name HN ))
ASSI { 59}
(( segid "MBD " and resid 83 and name HA ))
(( segid "MBD " and resid 83 and name HN ))
2.900 1.100 1.100 peak 59 spectrum 1 weight 0.10000E+01 volume 0.20202E-02 ppm1 7.852 ppm2 4.279 CV 1
OR { 59}
(( segid "MBD " and resid 82 and name HA ))
(( segid "MBD " and resid 83 and name HN ))
ASSI { 67}
(( segid "MBD " and resid 84 and name HA ))
(( segid "MBD " and resid 84 and name HN ))
2.600 0.900 0.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.39984E-02 ppm1 7.950 ppm2 4.266 CV 1
OR { 67}
(( segid "MBD " and resid 83 and name HA ))
(( segid "MBD " and resid 84 and name HN ))
ASSI { 73}
(( segid "MBD " and resid 84 and name HA ))
(( segid "MBD " and resid 85 and name HN ))
2.500 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.50205E-02 ppm1 7.815 ppm2 4.251 CV 1
OR { 73}
(( segid "MBD " and resid 82 and name HA ))
(( segid "MBD " and resid 85 and name HN ))
OR { 73}
(( segid "MBD " and resid 83 and name HA ))
(( segid "MBD " and resid 85 and name HN ))
ASSI { 89}
(( segid "MBD " and resid 85 and name HA ))
(( segid "MBD " and resid 86 and name HN ))
2.400 0.700 0.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.75160E-02 ppm1 8.057 ppm2 4.453 CV 1
OR { 89}
(( segid "MBD " and resid 80 and name HA ))
(( segid "MBD " and resid 81 and name HN ))
ASSI { 96}
(( segid "MBD " and resid 86 and name HB2 ))
(( segid "MBD " and resid 86 and name HN ))
2.900 1.100 1.100 peak 96 spectrum 1 weight 0.10000E+01 volume 0.47500E-02 ppm1 8.059 ppm2 2.577 CV 1
OR { 96}
(( segid "MBD " and resid 79 and name HB1 ))
(( segid "MBD " and resid 81 and name HN ))
OR { 96}
(( segid "MBD " and resid 79 and name HB2 ))
(( segid "MBD " and resid 81 and name HN ))
ASSI { 101}
(( segid "MBD " and resid 87 and name HG1 ))
(( segid "MBD " and resid 87 and name HN ))
2.700 0.900 0.900 peak 101 spectrum 1 weight 0.10000E+01 volume 0.46598E-02 ppm1 8.143 ppm2 2.572 CV 1
OR { 101}
(( segid "MBD " and resid 86 and name HB2 ))
(( segid "MBD " and resid 87 and name HN ))
ASSI { 104}
(( segid "MBD " and resid 82 and name HA ))
(( segid "MBD " and resid 87 and name HN ))
2.400 0.700 0.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.58022E-02 ppm1 8.144 ppm2 4.291 CV 1
OR { 104}
(( segid "MBD " and resid 87 and name HA ))
(( segid "MBD " and resid 87 and name HN ))
ASSI { 117}
(( segid "MBD " and resid 88 and name HB2 ))
(( segid "MBD " and resid 88 and name HN ))
2.300 0.700 0.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.97706E-02 ppm1 8.190 ppm2 2.001 CV 1
OR { 117}
(( segid "MBD " and resid 87 and name HB2 ))
(( segid "MBD " and resid 88 and name HN ))
ASSI { 123}
(( segid "MBD " and resid 87 and name HA ))
(( segid "MBD " and resid 88 and name HN ))
2.500 0.800 0.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.50807E-02 ppm1 8.189 ppm2 4.290 CV 1
OR { 123}
(( segid "MBD " and resid 82 and name HA ))
(( segid "MBD " and resid 88 and name HN ))
OR { 123}
(( segid "MBD " and resid 83 and name HA ))
(( segid "MBD " and resid 88 and name HN ))
ASSI { 124}
(( segid "MBD " and resid 86 and name HB2 ))
(( segid "MBD " and resid 88 and name HN ))
4.200 2.200 1.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.56519E-03 ppm1 8.187 ppm2 2.564 CV 1
OR { 124}
(( segid "MBD " and resid 87 and name HG1 ))
(( segid "MBD " and resid 88 and name HN ))
ASSI { 136}
(( segid "MBD " and resid 88 and name HA ))
(( segid "MBD " and resid 89 and name HN ))
2.500 2.500 3.500 peak 136 spectrum 1 weight 0.10000E+01 volume 0.70047E-02 ppm1 7.938 ppm2 4.146 CV 1
OR { 136}
(( segid "MBD " and resid 90 and name HA ))
(( segid "MBD " and resid 89 and name HN ))
ASSI { 154}
( segid "MBD " and resid 90 and name HD2%)
(( segid "MBD " and resid 91 and name HN ))
3.800 1.800 1.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.18309E-03 ppm1 8.148 ppm2 0.762 CV 1
OR { 154}
( segid "MRG " and resid 279 and name HD2%)
(( segid "MBD " and resid 91 and name HN ))
ASSI { 156}
(( segid "MBD " and resid 90 and name HA ))
(( segid "MBD " and resid 91 and name HN ))
3.200 1.300 1.300 peak 156 spectrum 1 weight 0.10000E+01 volume 0.14821E-02 ppm1 8.146 ppm2 4.166 CV 1
OR { 156}
(( segid "MBD " and resid 88 and name HA ))
(( segid "MBD " and resid 91 and name HN ))
ASSI { 171}
(( segid "MBD " and resid 94 and name HN ))
(( segid "MBD " and resid 93 and name HN ))
2.900 1.100 1.100 peak 171 spectrum 1 weight 0.10000E+01 volume 0.15603E-02 ppm1 8.119 ppm2 8.255 CV 1
OR { 171}
(( segid "MBD " and resid 92 and name HN ))
(( segid "MBD " and resid 93 and name HN ))
ASSI { 175}
(( segid "MBD " and resid 92 and name HA ))
(( segid "MBD " and resid 93 and name HN ))
2.700 0.900 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.40284E-02 ppm1 8.114 ppm2 4.175 CV 1
OR { 175}
(( segid "MBD " and resid 90 and name HA ))
(( segid "MBD " and resid 93 and name HN ))
ASSI { 186}
(( segid "MBD " and resid 94 and name HB1 ))
(( segid "MBD " and resid 94 and name HN ))
3.000 1.100 1.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.29733E-02 ppm1 8.266 ppm2 2.010 CV 1
OR { 186}
(( segid "MBD " and resid 92 and name HB1 ))
(( segid "MBD " and resid 94 and name HN ))
ASSI { 187}
(( segid "MBD " and resid 94 and name HB2 ))
(( segid "MBD " and resid 94 and name HN ))
2.600 0.900 0.900 peak 187 spectrum 1 weight 0.10000E+01 volume 0.42088E-02 ppm1 8.268 ppm2 1.913 CV 1
OR { 187}
(( segid "MBD " and resid 92 and name HB2 ))
(( segid "MBD " and resid 94 and name HN ))
ASSI { 191}
(( segid "MBD " and resid 93 and name HB2 ))
(( segid "MBD " and resid 90 and name HN ))
3.800 1.800 1.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.55016E-03 ppm1 7.850 ppm2 3.816 CV 1
OR { 191}
(( segid "MBD " and resid 93 and name HB1 ))
(( segid "MBD " and resid 90 and name HN ))
OR { 191}
(( segid "MBD " and resid 93 and name HB1 ))
(( segid "MBD " and resid 95 and name HN ))
OR { 191}
(( segid "MBD " and resid 93 and name HB2 ))
(( segid "MBD " and resid 95 and name HN ))
ASSI { 193}
(( segid "MBD " and resid 94 and name HB1 ))
(( segid "MBD " and resid 95 and name HN ))
3.400 1.400 1.400 peak 193 spectrum 1 weight 0.10000E+01 volume 0.19932E-02 ppm1 7.848 ppm2 2.013 CV 1
OR { 193}
(( segid "MBD " and resid 87 and name HB2 ))
(( segid "MBD " and resid 90 and name HN ))
OR { 193}
(( segid "MBD " and resid 87 and name HB1 ))
(( segid "MBD " and resid 90 and name HN ))
OR { 193}
(( segid "MBD " and resid 88 and name HB2 ))
(( segid "MBD " and resid 90 and name HN ))
ASSI { 194}
(( segid "MBD " and resid 94 and name HB2 ))
(( segid "MBD " and resid 95 and name HN ))
3.800 1.800 1.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.11033E-02 ppm1 7.848 ppm2 1.907 CV 1
OR { 194}
(( segid "MBD " and resid 92 and name HB2 ))
(( segid "MBD " and resid 90 and name HN ))
ASSI { 195}
(( segid "MBD " and resid 94 and name HN ))
(( segid "MBD " and resid 95 and name HN ))
3.100 1.200 1.200 peak 195 spectrum 1 weight 0.10000E+01 volume 0.17106E-02 ppm1 7.850 ppm2 8.267 CV 1
OR { 195}
(( segid "MBD " and resid 92 and name HN ))
(( segid "MBD " and resid 90 and name HN ))
ASSI { 196}
(( segid "MBD " and resid 94 and name HG1 ))
(( segid "MBD " and resid 95 and name HN ))
3.500 1.600 1.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.10672E-02 ppm1 7.852 ppm2 2.178 CV 1
OR { 196}
(( segid "MBD " and resid 92 and name HG1 ))
(( segid "MBD " and resid 90 and name HN ))
OR { 196}
(( segid "MBD " and resid 92 and name HG2 ))
(( segid "MBD " and resid 90 and name HN ))
ASSI { 201}
( segid "MBD " and resid 90 and name HD2%)
(( segid "MBD " and resid 90 and name HN ))
3.200 1.300 1.300 peak 201 spectrum 1 weight 0.10000E+01 volume 0.34873E-02 ppm1 7.845 ppm2 0.732 CV 1
OR { 201}
( segid "MBD " and resid 95 and name HD1%)
(( segid "MBD " and resid 95 and name HN ))
ASSI { 230}
(( segid "MBD " and resid 101 and name HA ))
(( segid "MBD " and resid 102 and name HN ))
2.300 0.700 0.700 peak 230 spectrum 1 weight 0.10000E+01 volume 0.82972E-02 ppm1 8.075 ppm2 4.365 CV 1
OR { 230}
(( segid "MBD " and resid 102 and name HA ))
(( segid "MBD " and resid 102 and name HN ))
ASSI { 273}
(( segid "MBD " and resid 106 and name HB ))
(( segid "MBD " and resid 106 and name HN ))
3.100 1.200 1.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.30664E-02 ppm1 6.162 ppm2 1.665 CV 1
OR { 273}
(( segid "MBD " and resid 105 and name HB2 ))
(( segid "MBD " and resid 106 and name HN ))
ASSI { 278}
(( segid "MBD " and resid 107 and name HB1 ))
(( segid "MBD " and resid 107 and name HN ))
2.600 0.900 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.37879E-02 ppm1 8.344 ppm2 1.683 CV 1
OR { 278}
(( segid "MBD " and resid 106 and name HB ))
(( segid "MBD " and resid 107 and name HN ))
ASSI { 279}
(( segid "MBD " and resid 108 and name HD1 ))
(( segid "MBD " and resid 107 and name HN ))
4.400 2.400 1.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.62532E-03 ppm1 8.343 ppm2 3.950 CV 1
OR { 279}
(( segid "MBD " and resid 105 and name HA ))
(( segid "MBD " and resid 107 and name HN ))
ASSI { 304}
(( segid "MBD " and resid 109 and name HG1 ))
(( segid "MBD " and resid 109 and name HN ))
3.100 1.200 1.200 peak 304 spectrum 1 weight 0.10000E+01 volume 0.27508E-02 ppm1 8.627 ppm2 2.220 CV 1
OR { 304}
(( segid "MBD " and resid 109 and name HG2 ))
(( segid "MBD " and resid 109 and name HN ))
OR { 304}
(( segid "MBD " and resid 110 and name HG2 ))
(( segid "MBD " and resid 109 and name HN ))
ASSI { 308}
(( segid "MBD " and resid 110 and name HB2 ))
(( segid "MBD " and resid 110 and name HN ))
2.300 0.600 0.600 peak 308 spectrum 1 weight 0.10000E+01 volume 0.10913E-01 ppm1 9.265 ppm2 1.927 CV 1
OR { 308}
(( segid "MBD " and resid 110 and name HB1 ))
(( segid "MBD " and resid 110 and name HN ))
OR { 308}
(( segid "MBD " and resid 109 and name HB2 ))
(( segid "MBD " and resid 110 and name HN ))
ASSI { 309}
(( segid "MBD " and resid 108 and name HB2 ))
(( segid "MBD " and resid 110 and name HN ))
3.500 1.500 1.500 peak 309 spectrum 1 weight 0.10000E+01 volume 0.13047E-02 ppm1 9.264 ppm2 1.741 CV 1
OR { 309}
(( segid "MBD " and resid 111 and name HB ))
(( segid "MBD " and resid 110 and name HN ))
ASSI { 326}
(( segid "MBD " and resid 110 and name HB1 ))
(( segid "MBD " and resid 111 and name HN ))
3.300 1.400 1.400 peak 326 spectrum 1 weight 0.10000E+01 volume 0.23269E-02 ppm1 7.165 ppm2 1.935 CV 1
OR { 326}
(( segid "MBD " and resid 110 and name HB2 ))
(( segid "MBD " and resid 111 and name HN ))
OR { 326}
(( segid "MBD " and resid 108 and name HG2 ))
(( segid "MBD " and resid 111 and name HN ))
ASSI { 329}
(( segid "MBD " and resid 111 and name HB ))
(( segid "MBD " and resid 111 and name HN ))
2.300 0.700 0.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.40886E-02 ppm1 7.165 ppm2 1.742 CV 1
OR { 329}
(( segid "MBD " and resid 108 and name HB2 ))
(( segid "MBD " and resid 111 and name HN ))
ASSI { 376}
(( segid "MBD " and resid 111 and name HA ))
(( segid "MBD " and resid 114 and name HN ))
3.100 1.200 1.200 peak 376 spectrum 1 weight 0.10000E+01 volume 0.15693E-02 ppm1 7.704 ppm2 3.767 CV 1
OR { 376}
(( segid "MBD " and resid 115 and name HA ))
(( segid "MBD " and resid 114 and name HN ))
ASSI { 386}
(( segid "MBD " and resid 114 and name HB2 ))
(( segid "MBD " and resid 114 and name HN ))
2.200 0.600 0.600 peak 386 spectrum 1 weight 0.10000E+01 volume 0.98908E-02 ppm1 7.703 ppm2 1.948 CV 1
OR { 386}
(( segid "MBD " and resid 113 and name HB2 ))
(( segid "MBD " and resid 114 and name HN ))
ASSI { 400}
(( segid "MBD " and resid 115 and name HB ))
(( segid "MBD " and resid 115 and name HN ))
2.300 0.600 0.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.80871E-02 ppm1 7.600 ppm2 1.970 CV 1
OR { 400}
(( segid "MBD " and resid 114 and name HB2 ))
(( segid "MBD " and resid 115 and name HN ))
ASSI { 407}
(( segid "MBD " and resid 116 and name HG2 ))
(( segid "MBD " and resid 115 and name HN ))
4.900 3.000 1.100 peak 407 spectrum 1 weight 0.10000E+01 volume 0.72450E-03 ppm1 7.601 ppm2 1.586 CV 1
OR { 407}
(( segid "MRG " and resid 165 and name HB2 ))
(( segid "MBD " and resid 115 and name HN ))
ASSI { 430}
(( segid "MBD " and resid 114 and name HA ))
(( segid "MBD " and resid 117 and name HN ))
3.200 1.300 1.300 peak 430 spectrum 1 weight 0.10000E+01 volume 0.21405E-02 ppm1 8.001 ppm2 3.940 CV 1
OR { 430}
(( segid "MBD " and resid 118 and name HA2 ))
(( segid "MBD " and resid 117 and name HN ))
OR { 430}
(( segid "MBD " and resid 118 and name HA1 ))
(( segid "MBD " and resid 117 and name HN ))
ASSI { 486}
( segid "MBD " and resid 85 and name HE% )
(( segid "MBD " and resid 86 and name HN ))
4.600 2.700 1.400 peak 486 spectrum 1 weight 0.10000E+01 volume 0.20503E-03 ppm1 8.050 ppm2 6.725 CV 1
OR { 486}
( segid "MRG " and resid 212 and name HE% )
(( segid "MBD " and resid 81 and name HN ))
ASSI { 489}
( segid "MBD " and resid 90 and name HD1%)
(( segid "MBD " and resid 90 and name HN ))
3.000 1.100 1.100 peak 489 spectrum 1 weight 0.10000E+01 volume 0.30965E-02 ppm1 7.845 ppm2 0.785 CV 1
OR { 489}
( segid "MBD " and resid 95 and name HG2%)
(( segid "MBD " and resid 95 and name HN ))
ASSI { 492}
(( segid "MBD " and resid 75 and name HA ))
(( segid "MBD " and resid 76 and name HN ))
2.700 0.900 0.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.29792E-02 ppm1 8.033 ppm2 4.287 CV 1
OR { 492}
(( segid "MBD " and resid 70 and name HA ))
(( segid "MBD " and resid 70 and name HN ))
ASSI { 515}
(( segid "MBD " and resid 80 and name HA ))
(( segid "MBD " and resid 82 and name HN ))
4.400 2.400 1.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.21646E-03 ppm1 8.126 ppm2 4.430 CV 1
OR { 515}
(( segid "MBD " and resid 79 and name HA ))
(( segid "MBD " and resid 82 and name HN ))
ASSI { 7}
( segid "MRG " and resid 267 and name HD% )
( segid "MRG " and resid 263 and name HD2%)
3.000 1.100 1.100 peak 7 spectrum 1 weight 0.10000E+01 volume 0.39736E-02 ppm1 7.520 ppm2 0.846 CV 1
OR { 7}
( segid "MRG " and resid 267 and name HD% )
( segid "MRG " and resid 158 and name HG1%)
ASSI { 9}
(( segid "MRG " and resid 292 and name HE1 ))
( segid "MRG " and resid 158 and name HG2%)
3.000 1.200 1.200 peak 9 spectrum 1 weight 0.10000E+01 volume 0.68119E-03 ppm1 7.674 ppm2 0.736 CV 1
OR { 9}
(( segid "MRG " and resid 292 and name HE1 ))
( segid "MRG " and resid 291 and name HD2%)
OR { 9}
(( segid "MRG " and resid 292 and name HE1 ))
( segid "MRG " and resid 295 and name HD1%)
ASSI { 12}
(( segid "MRG " and resid 292 and name HE1 ))
(( segid "MRG " and resid 159 and name HB2 ))
3.800 1.800 1.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.10017E-02 ppm1 7.674 ppm2 1.516 CV 1
OR { 12}
(( segid "MRG " and resid 167 and name HE3 ))
( segid "MRG " and resid 308 and name HB% )
OR { 12}
(( segid "MRG " and resid 292 and name HE1 ))
(( segid "MRG " and resid 159 and name HB1 ))
ASSI { 15}
( segid "MRG " and resid 306 and name HE% )
( segid "MRG " and resid 298 and name HD2%)
2.800 1.000 1.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.30553E-02 ppm1 6.837 ppm2 0.575 CV 1
OR { 15}
( segid "MRG " and resid 306 and name HE% )
( segid "MRG " and resid 164 and name HD2%)
ASSI { 20}
( segid "MRG " and resid 306 and name HD% )
(( segid "MRG " and resid 167 and name HE3 ))
4.300 2.300 1.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.23674E-03 ppm1 6.781 ppm2 7.655 CV 1
OR { 20}
(( segid "MRG " and resid 167 and name HD1 ))
(( segid "MRG " and resid 167 and name HE3 ))
ASSI { 23}
(( segid "MRG " and resid 172 and name HE3 ))
(( segid "MRG " and resid 169 and name HA ))
3.300 1.400 1.400 peak 23 spectrum 1 weight 0.10000E+01 volume 0.27348E-02 ppm1 7.922 ppm2 3.677 CV 1
OR { 23}
(( segid "MRG " and resid 172 and name HE3 ))
(( segid "MRG " and resid 172 and name HB2 ))
ASSI { 29}
(( segid "MRG " and resid 172 and name HD1 ))
(( segid "MRG " and resid 172 and name HA ))
2.800 1.000 1.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.27348E-02 ppm1 7.403 ppm2 3.963 CV 1
OR { 29}
( segid "MRG " and resid 182 and name HE% )
(( segid "MRG " and resid 257 and name HA ))
ASSI { 34}
( segid "MRG " and resid 235 and name HE% )
(( segid "MRG " and resid 172 and name HB2 ))
3.900 1.900 1.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.11386E-02 ppm1 6.848 ppm2 3.682 CV 1
OR { 34}
(( segid "MRG " and resid 172 and name HZ3 ))
(( segid "MRG " and resid 169 and name HA ))
OR { 34}
(( segid "MRG " and resid 172 and name HZ3 ))
(( segid "MRG " and resid 172 and name HB2 ))
ASSI { 46}
(( segid "MRG " and resid 172 and name HE3 ))
(( segid "MRG " and resid 176 and name HG1 ))
4.300 2.400 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.45079E-03 ppm1 7.920 ppm2 2.770 CV 1
OR { 46}
(( segid "MRG " and resid 172 and name HE3 ))
(( segid "MRG " and resid 173 and name HB1 ))
ASSI { 49}
( segid "MRG " and resid 311 and name HD% )
( segid "MRG " and resid 174 and name HD2%)
2.600 0.800 0.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.18465E-02 ppm1 7.132 ppm2 -0.073 CV 1
OR { 49}
( segid "MRG " and resid 311 and name HE% )
( segid "MRG " and resid 174 and name HD2%)
OR { 49}
( segid "MRG " and resid 311 and name HD% )
( segid "MRG " and resid 181 and name HD2%)
ASSI { 50}
(( segid "MRG " and resid 172 and name HD1 ))
(( segid "MRG " and resid 175 and name HB ))
3.200 1.300 1.300 peak 50 spectrum 1 weight 0.10000E+01 volume 0.16796E-02 ppm1 7.420 ppm2 1.682 CV 1
OR { 50}
( segid "MRG " and resid 235 and name HD% )
(( segid "MRG " and resid 175 and name HB ))
OR { 50}
( segid "MRG " and resid 235 and name HD% )
(( segid "MRG " and resid 265 and name HG1 ))
ASSI { 51}
( segid "MRG " and resid 235 and name HE% )
(( segid "MRG " and resid 175 and name HB ))
3.300 1.300 1.300 peak 51 spectrum 1 weight 0.10000E+01 volume 0.11988E-02 ppm1 6.850 ppm2 1.678 CV 1
OR { 51}
( segid "MRG " and resid 235 and name HE% )
(( segid "MRG " and resid 265 and name HG1 ))
OR { 51}
( segid "MRG " and resid 235 and name HE% )
(( segid "MRG " and resid 265 and name HG2 ))
ASSI { 52}
( segid "MRG " and resid 235 and name HD% )
(( segid "MRG " and resid 175 and name HG11))
4.100 2.100 1.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.28516E-03 ppm1 7.420 ppm2 2.137 CV 1
OR { 52}
(( segid "MRG " and resid 172 and name HD1 ))
(( segid "MRG " and resid 175 and name HG11))
OR { 52}
( segid "MRG " and resid 182 and name HE% )
(( segid "MRG " and resid 185 and name HB1 ))
ASSI { 53}
( segid "MRG " and resid 311 and name HE% )
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3.600 1.600 1.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.50421E-03 ppm1 7.150 ppm2 2.137 CV 1
OR { 53}
( segid "MRG " and resid 242 and name HD% )
(( segid "MRG " and resid 244 and name HB1 ))
OR { 53}
( segid "MRG " and resid 242 and name HD% )
(( segid "MRG " and resid 244 and name HB2 ))
ASSI { 54}
( segid "MRG " and resid 182 and name HE% )
(( segid "MRG " and resid 184 and name HG ))
3.600 1.700 1.700 peak 54 spectrum 1 weight 0.10000E+01 volume 0.10452E-02 ppm1 7.420 ppm2 1.635 CV 1
OR { 54}
(( segid "MRG " and resid 172 and name HD1 ))
(( segid "MRG " and resid 175 and name HG12))
OR { 54}
( segid "MRG " and resid 235 and name HD% )
(( segid "MRG " and resid 234 and name HG ))
ASSI { 56}
( segid "MRG " and resid 182 and name HD% )
( segid "MRG " and resid 175 and name HD1%)
3.800 1.800 1.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.78802E-03 ppm1 6.581 ppm2 1.290 CV 1
OR { 56}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 184 and name HB1 ))
OR { 56}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 181 and name HG ))
ASSI { 57}
( segid "MRG " and resid 235 and name HD% )
( segid "MRG " and resid 175 and name HD1%)
3.400 1.400 1.400 peak 57 spectrum 1 weight 0.10000E+01 volume 0.16696E-02 ppm1 7.421 ppm2 1.294 CV 1
OR { 57}
(( segid "MRG " and resid 262 and name HE1 ))
( segid "MRG " and resid 175 and name HD1%)
OR { 57}
(( segid "MRG " and resid 172 and name HD1 ))
( segid "MRG " and resid 175 and name HD1%)
ASSI { 58}
( segid "MRG " and resid 235 and name HE% )
( segid "MRG " and resid 175 and name HD1%)
2.800 2.800 3.200 peak 58 spectrum 1 weight 0.10000E+01 volume 0.11988E-02 ppm1 6.849 ppm2 1.294 CV 1
OR { 58}
(( segid "MRG " and resid 172 and name HZ3 ))
( segid "MRG " and resid 175 and name HD1%)
ASSI { 59}
( segid "MRG " and resid 237 and name HD% )
( segid "MRG " and resid 175 and name HD1%)
3.100 1.200 1.200 peak 59 spectrum 1 weight 0.10000E+01 volume 0.21003E-02 ppm1 7.299 ppm2 1.291 CV 1
OR { 59}
( segid "MRG " and resid 237 and name HD% )
(( segid "MRG " and resid 181 and name HG ))
OR { 59}
( segid "MRG " and resid 237 and name HD% )
( segid "MRG " and resid 314 and name HB% )
ASSI { 63}
( segid "MRG " and resid 235 and name HE% )
( segid "MRG " and resid 175 and name HG2%)
2.800 1.000 1.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.40070E-02 ppm1 6.846 ppm2 1.068 CV 1
OR { 63}
(( segid "MRG " and resid 172 and name HZ3 ))
( segid "MRG " and resid 169 and name HG1%)
ASSI { 65}
( segid "MRG " and resid 237 and name HE% )
( segid "MRG " and resid 175 and name HG2%)
3.000 1.100 1.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.14158E-02 ppm1 7.044 ppm2 1.076 CV 1
OR { 65}
(( segid "MRG " and resid 172 and name HH2 ))
( segid "MRG " and resid 169 and name HG1%)
ASSI { 66}
( segid "MRG " and resid 237 and name HD% )
(( segid "MRG " and resid 240 and name HD1 ))
4.300 2.400 1.700 peak 66 spectrum 1 weight 0.10000E+01 volume 0.37398E-03 ppm1 7.299 ppm2 3.739 CV 1
OR { 66}
( segid "MRG " and resid 276 and name HD% )
(( segid "MRG " and resid 278 and name HD1 ))
OR { 66}
( segid "MRG " and resid 290 and name HD% )
(( segid "MRG " and resid 288 and name HA ))
OR { 66}
( segid "MRG " and resid 276 and name HD% )
(( segid "MRG " and resid 278 and name HD2 ))
ASSI { 69}
(( segid "MRG " and resid 172 and name HD1 ))
( segid "MRG " and resid 176 and name HG2%)
2.600 0.800 0.800 peak 69 spectrum 1 weight 0.10000E+01 volume 0.55765E-02 ppm1 7.410 ppm2 0.811 CV 1
OR { 69}
( segid "MRG " and resid 182 and name HE% )
( segid "MRG " and resid 257 and name HG1%)
ASSI { 70}
( segid "MRG " and resid 306 and name HE% )
( segid "MRG " and resid 164 and name HD1%)
2.400 2.400 3.600 peak 70 spectrum 1 weight 0.10000E+01 volume 0.34393E-02 ppm1 6.849 ppm2 0.812 CV 1
OR { 70}
( segid "MRG " and resid 235 and name HE% )
( segid "MRG " and resid 176 and name HG2%)
OR { 70}
(( segid "MRG " and resid 172 and name HZ3 ))
( segid "MRG " and resid 176 and name HG2%)
ASSI { 72}
( segid "MRG " and resid 237 and name HE% )
(( segid "MRG " and resid 179 and name HE2 ))
3.400 1.400 1.400 peak 72 spectrum 1 weight 0.10000E+01 volume 0.20335E-02 ppm1 7.045 ppm2 2.690 CV 1
OR { 72}
( segid "MRG " and resid 237 and name HE% )
(( segid "MRG " and resid 179 and name HE1 ))
OR { 72}
( segid "MRG " and resid 212 and name HD% )
(( segid "MRG " and resid 215 and name HB2 ))
ASSI { 75}
( segid "MRG " and resid 200 and name HD% )
(( segid "MRG " and resid 201 and name HA ))
2.900 1.000 1.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.26212E-02 ppm1 7.047 ppm2 3.570 CV 1
OR { 75}
( segid "MRG " and resid 237 and name HE% )
(( segid "MRG " and resid 179 and name HA ))
ASSI { 76}
( segid "MRG " and resid 225 and name HE% )
(( segid "MRG " and resid 225 and name HA ))
3.200 1.300 1.300 peak 76 spectrum 1 weight 0.10000E+01 volume 0.17898E-02 ppm1 6.797 ppm2 3.574 CV 1
OR { 76}
(( segid "MRG " and resid 237 and name HZ ))
(( segid "MRG " and resid 179 and name HA ))
OR { 76}
( segid "MRG " and resid 306 and name HD% )
(( segid "MRG " and resid 261 and name HD1 ))
ASSI { 81}
( segid "MRG " and resid 306 and name HD% )
(( segid "MRG " and resid 261 and name HB1 ))
3.200 1.300 1.300 peak 81 spectrum 1 weight 0.10000E+01 volume 0.22239E-02 ppm1 6.797 ppm2 1.566 CV 1
OR { 81}
(( segid "MRG " and resid 167 and name HD1 ))
(( segid "MRG " and resid 166 and name HB2 ))
OR { 81}
(( segid "MRG " and resid 237 and name HZ ))
(( segid "MRG " and resid 179 and name HB2 ))
OR { 81}
( segid "MRG " and resid 306 and name HD% )
(( segid "MRG " and resid 264 and name HB2 ))
OR { 81}
(( segid "MRG " and resid 167 and name HD1 ))
(( segid "MRG " and resid 168 and name HB2 ))
ASSI { 83}
( segid "MRG " and resid 200 and name HD% )
(( segid "MRG " and resid 201 and name HG1 ))
3.900 1.900 1.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.13657E-02 ppm1 7.043 ppm2 1.124 CV 1
OR { 83}
( segid "MRG " and resid 237 and name HE% )
(( segid "MRG " and resid 179 and name HD1 ))
ASSI { 86}
( segid "MRG " and resid 306 and name HD% )
(( segid "MRG " and resid 305 and name HB1 ))
3.000 1.100 1.100 peak 86 spectrum 1 weight 0.10000E+01 volume 0.21137E-02 ppm1 6.781 ppm2 0.940 CV 1
OR { 86}
( segid "MRG " and resid 306 and name HD% )
( segid "MRG " and resid 260 and name HB% )
ASSI { 96}
( segid "MRG " and resid 237 and name HE% )
( segid "MRG " and resid 181 and name HD1%)
2.700 0.900 0.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.34393E-02 ppm1 7.047 ppm2 0.834 CV 1
OR { 96}
( segid "MRG " and resid 200 and name HD% )
(( segid "MRG " and resid 201 and name HG2 ))
ASSI { 103}
( segid "MRG " and resid 306 and name HD% )
(( segid "MRG " and resid 305 and name HG ))
3.400 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.16261E-02 ppm1 6.799 ppm2 1.457 CV 1
OR { 103}
( segid "MRG " and resid 242 and name HE% )
( segid "MRG " and resid 243 and name HB% )
OR { 103}
(( segid "MRG " and resid 237 and name HZ ))
(( segid "MRG " and resid 181 and name HB2 ))
ASSI { 105}
( segid "MRG " and resid 311 and name HD% )
(( segid "MRG " and resid 182 and name HA ))
4.200 2.200 1.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.26947E-03 ppm1 7.131 ppm2 3.840 CV 1
OR { 105}
( segid "MRG " and resid 311 and name HD% )
(( segid "MRG " and resid 313 and name HA ))
ASSI { 120}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 183 and name HA ))
4.000 2.000 2.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.33725E-03 ppm1 6.580 ppm2 3.942 CV 1
OR { 120}
( segid "MRG " and resid 258 and name HE% )
(( segid "MRG " and resid 255 and name HA ))
OR { 120}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 257 and name HA ))
ASSI { 129}
( segid "MRG " and resid 258 and name HE% )
(( segid "MRG " and resid 242 and name HA ))
3.800 1.800 1.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.83812E-03 ppm1 6.580 ppm2 4.438 CV 1
OR { 129}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 308 and name HA ))
OR { 129}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 184 and name HA ))
ASSI { 139}
( segid "MRG " and resid 182 and name HE% )
(( segid "MRG " and resid 186 and name HA ))
3.700 1.700 1.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.15794E-02 ppm1 7.390 ppm2 4.440 CV 1
OR { 139}
( segid "MRG " and resid 235 and name HD% )
(( segid "MRG " and resid 237 and name HA ))
OR { 139}
( segid "MRG " and resid 182 and name HE% )
(( segid "MRG " and resid 184 and name HA ))
OR { 139}
( segid "MRG " and resid 182 and name HE% )
(( segid "MRG " and resid 308 and name HA ))
ASSI { 140}
( segid "MRG " and resid 183 and name HD% )
(( segid "MRG " and resid 184 and name HA ))
3.500 1.600 1.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.10719E-02 ppm1 6.898 ppm2 4.443 CV 1
OR { 140}
( segid "MRG " and resid 183 and name HD% )
(( segid "MRG " and resid 242 and name HA ))
ASSI { 145}
(( segid "MRG " and resid 262 and name HD2 ))
(( segid "MRG " and resid 258 and name HB2 ))
3.600 1.700 1.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.59768E-03 ppm1 6.691 ppm2 2.790 CV 1
OR { 145}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 321 and name HE2 ))
OR { 145}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 321 and name HE1 ))
ASSI { 146}
( segid "MRG " and resid 183 and name HD% )
(( segid "MRG " and resid 238 and name HB2 ))
3.700 3.700 2.300 peak 146 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 6.899 ppm2 2.686 CV 1
OR { 146}
( segid "MRG " and resid 183 and name HD% )
(( segid "MRG " and resid 310 and name HB1 ))
ASSI { 147}
(( segid "MRG " and resid 262 and name HD2 ))
(( segid "MRG " and resid 238 and name HB2 ))
3.100 3.100 2.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.10953E-02 ppm1 6.691 ppm2 2.690 CV 1
OR { 147}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 310 and name HB1 ))
OR { 147}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 215 and name HB2 ))
OR { 147}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 179 and name HE2 ))
ASSI { 148}
( segid "MRG " and resid 224 and name HD% )
(( segid "MRG " and resid 227 and name HB ))
3.600 1.600 1.600 peak 148 spectrum 1 weight 0.10000E+01 volume 0.71793E-03 ppm1 6.942 ppm2 2.071 CV 1
OR { 148}
( segid "MRG " and resid 225 and name HD% )
(( segid "MRG " and resid 190 and name HB ))
ASSI { 163}
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( segid "MRG " and resid 194 and name HD2%)
3.000 1.100 1.100 peak 163 spectrum 1 weight 0.10000E+01 volume 0.16428E-02 ppm1 6.990 ppm2 0.532 CV 1
OR { 163}
(( segid "MRG " and resid 294 and name HZ ))
( segid "MRG " and resid 298 and name HD2%)
ASSI { 164}
( segid "MRG " and resid 297 and name HE% )
(( segid "MRG " and resid 200 and name HB2 ))
4.100 2.100 1.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.29885E-03 ppm1 6.403 ppm2 3.175 CV 1
OR { 164}
( segid "MRG " and resid 297 and name HE% )
(( segid "MRG " and resid 196 and name HB1 ))
ASSI { 166}
( segid "MRG " and resid 200 and name HD% )
(( segid "MRG " and resid 197 and name HA ))
3.400 1.400 1.400 peak 166 spectrum 1 weight 0.10000E+01 volume 0.20903E-02 ppm1 7.042 ppm2 3.411 CV 1
OR { 166}
(( segid "MRG " and resid 249 and name HD2 ))
(( segid "MRG " and resid 185 and name HD1 ))
ASSI { 167}
( segid "MRG " and resid 294 and name HD% )
(( segid "MRG " and resid 295 and name HA ))
3.800 1.800 1.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.48418E-03 ppm1 6.069 ppm2 3.399 CV 1
OR { 167}
( segid "MRG " and resid 294 and name HD% )
(( segid "MRG " and resid 197 and name HA ))
ASSI { 168}
( segid "MRG " and resid 297 and name HE% )
(( segid "MRG " and resid 197 and name HA ))
3.800 1.800 1.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.62440E-03 ppm1 6.403 ppm2 3.409 CV 1
OR { 168}
( segid "MRG " and resid 297 and name HE% )
(( segid "MRG " and resid 298 and name HA ))
ASSI { 178}
( segid "MRG " and resid 224 and name HD% )
(( segid "MRG " and resid 220 and name HA2 ))
3.700 1.700 1.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.11053E-02 ppm1 6.940 ppm2 3.268 CV 1
OR { 178}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 200 and name HB1 ))
ASSI { 179}
( segid "MRG " and resid 297 and name HE% )
(( segid "MRG " and resid 297 and name HB1 ))
4.700 2.800 1.300 peak 179 spectrum 1 weight 0.10000E+01 volume 0.37064E-03 ppm1 6.403 ppm2 3.267 CV 1
OR { 179}
( segid "MRG " and resid 297 and name HE% )
(( segid "MRG " and resid 200 and name HB1 ))
ASSI { 188}
( segid "MRG " and resid 200 and name HD% )
(( segid "MRG " and resid 201 and name HD1 ))
3.000 1.100 1.100 peak 188 spectrum 1 weight 0.10000E+01 volume 0.14292E-02 ppm1 7.042 ppm2 1.722 CV 1
OR { 188}
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(( segid "MRG " and resid 306 and name HB1 ))
ASSI { 189}
( segid "MRG " and resid 200 and name HD% )
(( segid "MRG " and resid 201 and name HD2 ))
3.000 1.100 1.100 peak 189 spectrum 1 weight 0.10000E+01 volume 0.27782E-02 ppm1 7.042 ppm2 1.450 CV 1
OR { 189}
( segid "MRG " and resid 237 and name HE% )
(( segid "MRG " and resid 181 and name HB1 ))
OR { 189}
( segid "MRG " and resid 237 and name HE% )
(( segid "MRG " and resid 181 and name HB2 ))
ASSI { 190}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 204 and name HB2 ))
3.600 1.600 1.600 peak 190 spectrum 1 weight 0.10000E+01 volume 0.12722E-02 ppm1 6.940 ppm2 1.594 CV 1
OR { 190}
( segid "MRG " and resid 224 and name HD% )
(( segid "MRG " and resid 270 and name HB ))
OR { 190}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 300 and name HD2 ))
OR { 190}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 300 and name HD1 ))
OR { 190}
( segid "MRG " and resid 224 and name HD% )
(( segid "MRG " and resid 273 and name HB2 ))
OR { 190}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 201 and name HB2 ))
OR { 190}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 201 and name HB1 ))
ASSI { 191}
( segid "MRG " and resid 200 and name HD% )
(( segid "MRG " and resid 204 and name HD2 ))
3.200 1.300 1.300 peak 191 spectrum 1 weight 0.10000E+01 volume 0.17130E-02 ppm1 7.043 ppm2 2.886 CV 1
OR { 191}
( segid "MRG " and resid 200 and name HD% )
(( segid "MRG " and resid 204 and name HD1 ))
OR { 191}
( segid "MRG " and resid 200 and name HD% )
(( segid "MRG " and resid 199 and name HB1 ))
ASSI { 193}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 204 and name HG2 ))
3.200 1.300 1.300 peak 193 spectrum 1 weight 0.10000E+01 volume 0.22105E-02 ppm1 6.942 ppm2 1.453 CV 1
OR { 193}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 201 and name HD2 ))
OR { 193}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 204 and name HG1 ))
ASSI { 195}
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(( segid "MRG " and resid 212 and name HB1 ))
2.700 0.900 0.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.34727E-02 ppm1 7.030 ppm2 3.020 CV 1
OR { 195}
(( segid "MRG " and resid 249 and name HD2 ))
(( segid "MRG " and resid 249 and name HB2 ))
ASSI { 204}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 214 and name HA ))
3.900 1.900 1.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.80806E-03 ppm1 6.684 ppm2 3.402 CV 1
OR { 204}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 197 and name HA ))
ASSI { 205}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 296 and name HB2 ))
4.300 2.300 1.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.56433E-03 ppm1 6.689 ppm2 2.007 CV 1
OR { 205}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 214 and name HB ))
OR { 205}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 315 and name HG2 ))
OR { 205}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 240 and name HB2 ))
OR { 205}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 296 and name HB1 ))
ASSI { 206}
( segid "MRG " and resid 197 and name HD% )
(( segid "MRG " and resid 201 and name HG2 ))
4.600 2.700 1.400 peak 206 spectrum 1 weight 0.10000E+01 volume 0.19667E-03 ppm1 6.494 ppm2 0.863 CV 1
OR { 206}
( segid "MRG " and resid 197 and name HD% )
( segid "MRG " and resid 214 and name HG2%)
ASSI { 207}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 217 and name HB ))
3.900 1.900 1.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.38400E-03 ppm1 6.682 ppm2 2.101 CV 1
OR { 207}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 244 and name HB1 ))
OR { 207}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 244 and name HB2 ))
ASSI { 209}
( segid "MRG " and resid 290 and name HD% )
( segid "MRG " and resid 286 and name HD1%)
2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.36397E-02 ppm1 7.283 ppm2 0.908 CV 1
OR { 209}
( segid "MRG " and resid 290 and name HD% )
( segid "MRG " and resid 217 and name HG1%)
ASSI { 210}
( segid "MRG " and resid 294 and name HD% )
( segid "MRG " and resid 217 and name HG1%)
3.500 1.500 1.500 peak 210 spectrum 1 weight 0.10000E+01 volume 0.45079E-03 ppm1 6.069 ppm2 0.909 CV 1
OR { 210}
( segid "MRG " and resid 294 and name HD% )
( segid "MRG " and resid 214 and name HG1%)
OR { 210}
( segid "MRG " and resid 294 and name HD% )
( segid "MRG " and resid 264 and name HD1%)
ASSI { 212}
( segid "MRG " and resid 290 and name HE% )
( segid "MRG " and resid 217 and name HG2%)
3.400 1.500 1.500 peak 212 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 6.691 ppm2 0.695 CV 1
OR { 212}
( segid "MRG " and resid 197 and name HE% )
( segid "MRG " and resid 217 and name HG2%)
ASSI { 214}
( segid "MRG " and resid 197 and name HD% )
( segid "MRG " and resid 218 and name HG1%)
4.200 2.200 1.800 peak 214 spectrum 1 weight 0.10000E+01 volume 0.42741E-03 ppm1 6.494 ppm2 1.131 CV 1
OR { 214}
( segid "MRG " and resid 197 and name HD% )
(( segid "MRG " and resid 201 and name HG1 ))
ASSI { 218}
( segid "MRG " and resid 224 and name HD% )
( segid "MRG " and resid 270 and name HD1%)
3.200 1.300 1.300 peak 218 spectrum 1 weight 0.10000E+01 volume 0.15193E-02 ppm1 6.949 ppm2 0.241 CV 1
OR { 218}
( segid "MRG " and resid 225 and name HD% )
( segid "MRG " and resid 270 and name HD1%)
ASSI { 219}
( segid "MRG " and resid 267 and name HE% )
( segid "MRG " and resid 221 and name HD1%)
3.400 1.400 1.400 peak 219 spectrum 1 weight 0.10000E+01 volume 0.13757E-02 ppm1 7.256 ppm2 0.240 CV 1
OR { 219}
( segid "MRG " and resid 267 and name HE% )
( segid "MRG " and resid 270 and name HD1%)
ASSI { 223}
( segid "MRG " and resid 225 and name HD% )
( segid "MRG " and resid 233 and name HD1%)
3.000 1.100 1.100 peak 223 spectrum 1 weight 0.10000E+01 volume 0.25845E-02 ppm1 6.940 ppm2 0.562 CV 1
OR { 223}
( segid "MRG " and resid 225 and name HD% )
( segid "MRG " and resid 221 and name HG2%)
ASSI { 245}
( segid "MRG " and resid 306 and name HD% )
(( segid "MRG " and resid 261 and name HD2 ))
2.900 2.900 3.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.16963E-02 ppm1 6.803 ppm2 3.417 CV 1
OR { 245}
( segid "MRG " and resid 242 and name HE% )
(( segid "MRG " and resid 230 and name HA1 ))
OR { 245}
( segid "MRG " and resid 225 and name HE% )
(( segid "MRG " and resid 230 and name HA1 ))
OR { 245}
(( segid "MRG " and resid 237 and name HZ ))
(( segid "MRG " and resid 315 and name HD2 ))
OR { 245}
( segid "MRG " and resid 225 and name HE% )
(( segid "MRG " and resid 261 and name HD2 ))
ASSI { 246}
( segid "MRG " and resid 225 and name HE% )
( segid "MRG " and resid 233 and name HD2%)
2.700 0.900 0.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.46080E-02 ppm1 6.801 ppm2 0.560 CV 1
OR { 246}
( segid "MRG " and resid 242 and name HE% )
( segid "MRG " and resid 246 and name HD1%)
OR { 246}
( segid "MRG " and resid 225 and name HE% )
( segid "MRG " and resid 233 and name HD1%)
ASSI { 247}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 314 and name HA ))
3.400 1.400 1.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.92163E-03 ppm1 6.698 ppm2 4.480 CV 1
OR { 247}
(( segid "MRG " and resid 262 and name HD2 ))
(( segid "MRG " and resid 234 and name HA ))
OR { 247}
( segid "MRG " and resid 290 and name HE% )
(( segid "MRG " and resid 290 and name HA ))
ASSI { 248}
( segid "MRG " and resid 197 and name HE% )
( segid "MRG " and resid 198 and name HB% )
3.700 1.700 1.700 peak 248 spectrum 1 weight 0.10000E+01 volume 0.10452E-02 ppm1 6.698 ppm2 1.408 CV 1
OR { 248}
( segid "MRG " and resid 290 and name HE% )
(( segid "MRG " and resid 210 and name HG1 ))
OR { 248}
(( segid "MRG " and resid 262 and name HD2 ))
(( segid "MRG " and resid 233 and name HG ))
OR { 248}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 245 and name HG12))
OR { 248}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 194 and name HB2 ))
ASSI { 249}
(( segid "MRG " and resid 262 and name HD2 ))
(( segid "MRG " and resid 234 and name HG ))
3.100 3.100 2.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.10585E-02 ppm1 6.695 ppm2 1.623 CV 1
OR { 249}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 184 and name HG ))
OR { 249}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 300 and name HD2 ))
OR { 249}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 300 and name HD1 ))
OR { 249}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 321 and name HB1 ))
ASSI { 250}
(( segid "MRG " and resid 262 and name HD2 ))
( segid "MRG " and resid 234 and name HD1%)
2.700 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.38400E-02 ppm1 6.702 ppm2 0.603 CV 1
OR { 250}
( segid "MRG " and resid 197 and name HE% )
( segid "MRG " and resid 298 and name HD1%)
ASSI { 253}
( segid "MRG " and resid 306 and name HD% )
(( segid "MRG " and resid 305 and name HB2 ))
3.300 1.400 1.400 peak 253 spectrum 1 weight 0.10000E+01 volume 0.15093E-02 ppm1 6.803 ppm2 0.236 CV 1
OR { 253}
( segid "MRG " and resid 242 and name HE% )
( segid "MRG " and resid 234 and name HD2%)
ASSI { 261}
( segid "MRG " and resid 237 and name HD% )
(( segid "MRG " and resid 237 and name HA ))
2.300 0.700 0.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.76798E-02 ppm1 7.303 ppm2 4.452 CV 1
OR { 261}
( segid "MRG " and resid 276 and name HD% )
(( segid "MRG " and resid 273 and name HA ))
OR { 261}
( segid "MRG " and resid 290 and name HD% )
(( segid "MRG " and resid 290 and name HA ))
ASSI { 262}
( segid "MRG " and resid 237 and name HE% )
(( segid "MRG " and resid 237 and name HA ))
3.800 1.800 1.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.17531E-02 ppm1 7.046 ppm2 4.450 CV 1
OR { 262}
(( segid "MRG " and resid 249 and name HD2 ))
(( segid "MRG " and resid 248 and name HA ))
ASSI { 273}
( segid "MRG " and resid 237 and name HD% )
(( segid "MRG " and resid 238 and name HA ))
4.400 2.400 1.600 peak 273 spectrum 1 weight 0.10000E+01 volume 0.32323E-03 ppm1 7.299 ppm2 4.161 CV 1
OR { 273}
( segid "MRG " and resid 290 and name HD% )
(( segid "MRG " and resid 291 and name HA ))
OR { 273}
( segid "MRG " and resid 276 and name HD% )
(( segid "MRG " and resid 277 and name HB ))
ASSI { 277}
( segid "MRG " and resid 318 and name HE% )
(( segid "MRG " and resid 241 and name HA ))
3.400 1.400 1.400 peak 277 spectrum 1 weight 0.10000E+01 volume 0.15995E-02 ppm1 5.874 ppm2 4.215 CV 1
OR { 277}
( segid "MRG " and resid 318 and name HE% )
(( segid "MRG " and resid 319 and name HA ))
ASSI { 279}
( segid "MRG " and resid 311 and name HE% )
(( segid "MRG " and resid 308 and name HA ))
2.800 1.000 1.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.29418E-02 ppm1 7.170 ppm2 4.451 CV 1
OR { 279}
( segid "MRG " and resid 242 and name HD% )
(( segid "MRG " and resid 242 and name HA ))
ASSI { 294}
(( segid "MRG " and resid 249 and name HD2 ))
( segid "MRG " and resid 245 and name HG2%)
2.800 1.000 1.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.30420E-02 ppm1 7.049 ppm2 0.945 CV 1
OR { 294}
( segid "MRG " and resid 237 and name HE% )
(( segid "MRG " and resid 179 and name HG1 ))
ASSI { 295}
( segid "MRG " and resid 242 and name HD% )
( segid "MRG " and resid 234 and name HD1%)
3.400 1.500 1.500 peak 295 spectrum 1 weight 0.10000E+01 volume 0.10285E-02 ppm1 7.168 ppm2 0.594 CV 1
OR { 295}
( segid "MRG " and resid 242 and name HD% )
( segid "MRG " and resid 246 and name HD1%)
ASSI { 296}
( segid "MRG " and resid 242 and name HE% )
( segid "MRG " and resid 246 and name HD1%)
2.600 0.800 0.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.73797E-02 ppm1 6.804 ppm2 0.594 CV 1
OR { 296}
( segid "MRG " and resid 242 and name HE% )
( segid "MRG " and resid 234 and name HD1%)
OR { 296}
(( segid "MRG " and resid 167 and name HD1 ))
( segid "MRG " and resid 164 and name HD2%)
OR { 296}
( segid "MRG " and resid 225 and name HE% )
( segid "MRG " and resid 266 and name HD2%)
ASSI { 302}
( segid "MRG " and resid 242 and name HE% )
(( segid "MRG " and resid 254 and name HG1 ))
3.300 1.300 1.300 peak 302 spectrum 1 weight 0.10000E+01 volume 0.12188E-02 ppm1 6.807 ppm2 3.135 CV 1
OR { 302}
( segid "MRG " and resid 242 and name HE% )
(( segid "MRG " and resid 242 and name HB2 ))
ASSI { 303}
(( segid "MRG " and resid 167 and name HD1 ))
(( segid "MRG " and resid 167 and name HB2 ))
2.800 1.000 1.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.29785E-02 ppm1 6.805 ppm2 2.873 CV 1
OR { 303}
( segid "MRG " and resid 242 and name HE% )
(( segid "MRG " and resid 254 and name HG2 ))
ASSI { 304}
( segid "MRG " and resid 242 and name HD% )
( segid "MRG " and resid 254 and name HE% )
3.700 1.700 1.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.67116E-03 ppm1 7.168 ppm2 2.186 CV 1
OR { 304}
( segid "MRG " and resid 311 and name HE% )
(( segid "MRG " and resid 261 and name HG1 ))
OR { 304}
( segid "MRG " and resid 311 and name HE% )
(( segid "MRG " and resid 261 and name HG2 ))
ASSI { 305}
( segid "MRG " and resid 306 and name HD% )
(( segid "MRG " and resid 261 and name HG1 ))
2.700 0.900 0.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.30085E-02 ppm1 6.804 ppm2 2.189 CV 1
OR { 305}
( segid "MRG " and resid 242 and name HE% )
( segid "MRG " and resid 254 and name HE% )
ASSI { 306}
( segid "MRG " and resid 258 and name HE% )
( segid "MRG " and resid 254 and name HE% )
4.200 2.300 1.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.19634E-03 ppm1 6.580 ppm2 2.180 CV 1
OR { 306}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 261 and name HG2 ))
OR { 306}
( segid "MRG " and resid 258 and name HE% )
(( segid "MRG " and resid 241 and name HB2 ))
OR { 306}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 261 and name HG1 ))
OR { 306}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 241 and name HB2 ))
OR { 306}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 241 and name HB1 ))
ASSI { 307}
( segid "MRG " and resid 225 and name HD% )
(( segid "MRG " and resid 255 and name HA ))
3.700 1.700 1.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.12555E-02 ppm1 6.940 ppm2 3.936 CV 1
OR { 307}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 203 and name HB1 ))
ASSI { 308}
( segid "MRG " and resid 225 and name HE% )
(( segid "MRG " and resid 255 and name HA ))
2.600 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.33058E-02 ppm1 6.800 ppm2 3.937 CV 1
OR { 308}
( segid "MRG " and resid 306 and name HD% )
(( segid "MRG " and resid 302 and name HA ))
ASSI { 310}
( segid "MRG " and resid 258 and name HE% )
( segid "MRG " and resid 234 and name HD1%)
3.700 1.700 1.700 peak 310 spectrum 1 weight 0.10000E+01 volume 0.57101E-03 ppm1 6.578 ppm2 0.610 CV 1
OR { 310}
( segid "MRG " and resid 182 and name HD% )
( segid "MRG " and resid 257 and name HG2%)
ASSI { 312}
( segid "MRG " and resid 267 and name HD% )
(( segid "MRG " and resid 291 and name HA ))
5.000 3.100 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.19634E-03 ppm1 7.522 ppm2 4.117 CV 1
OR { 312}
(( segid "MRG " and resid 182 and name HZ ))
(( segid "MRG " and resid 258 and name HA ))
OR { 312}
(( segid "MRG " and resid 182 and name HZ ))
(( segid "MRG " and resid 185 and name HA ))
ASSI { 313}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 258 and name HA ))
4.900 3.000 1.100 peak 313 spectrum 1 weight 0.10000E+01 volume 0.18365E-03 ppm1 6.578 ppm2 4.114 CV 1
OR { 313}
( segid "MRG " and resid 258 and name HE% )
(( segid "MRG " and resid 258 and name HA ))
ASSI { 314}
(( segid "MRG " and resid 262 and name HD2 ))
(( segid "MRG " and resid 258 and name HB1 ))
3.600 1.700 1.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.87820E-03 ppm1 6.699 ppm2 2.953 CV 1
OR { 314}
( segid "MRG " and resid 290 and name HE% )
(( segid "MRG " and resid 289 and name HB1 ))
OR { 314}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 296 and name HE1 ))
OR { 314}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 294 and name HB1 ))
ASSI { 318}
( segid "MRG " and resid 306 and name HE% )
( segid "MRG " and resid 260 and name HB% )
2.900 1.100 1.100 peak 318 spectrum 1 weight 0.10000E+01 volume 0.19467E-02 ppm1 6.838 ppm2 0.939 CV 1
OR { 318}
( segid "MRG " and resid 306 and name HE% )
(( segid "MRG " and resid 305 and name HB1 ))
ASSI { 319}
( segid "MRG " and resid 306 and name HD% )
(( segid "MRG " and resid 261 and name HA ))
3.300 1.300 1.300 peak 319 spectrum 1 weight 0.10000E+01 volume 0.13891E-02 ppm1 6.778 ppm2 4.409 CV 1
OR { 319}
( segid "MRG " and resid 212 and name HE% )
(( segid "MRG " and resid 212 and name HA ))
ASSI { 321}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 261 and name HD1 ))
5.000 3.100 1.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.16562E-03 ppm1 6.578 ppm2 3.579 CV 1
OR { 321}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 259 and name HA2 ))
ASSI { 323}
(( segid "MRG " and resid 182 and name HZ ))
(( segid "MRG " and resid 259 and name HA2 ))
4.400 2.400 1.600 peak 323 spectrum 1 weight 0.10000E+01 volume 0.46414E-03 ppm1 7.521 ppm2 3.582 CV 1
OR { 323}
(( segid "MRG " and resid 182 and name HZ ))
(( segid "MRG " and resid 261 and name HD1 ))
OR { 323}
( segid "MRG " and resid 267 and name HD% )
(( segid "MRG " and resid 270 and name HA ))
ASSI { 324}
( segid "MRG " and resid 258 and name HE% )
(( segid "MRG " and resid 230 and name HA1 ))
4.400 2.400 1.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.20001E-03 ppm1 6.581 ppm2 3.440 CV 1
OR { 324}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 261 and name HD2 ))
ASSI { 326}
(( segid "MRG " and resid 182 and name HZ ))
(( segid "MRG " and resid 261 and name HD2 ))
4.500 2.600 1.500 peak 326 spectrum 1 weight 0.10000E+01 volume 0.21804E-03 ppm1 7.521 ppm2 3.440 CV 1
OR { 326}
( segid "MRG " and resid 267 and name HD% )
(( segid "MRG " and resid 271 and name HA2 ))
ASSI { 327}
( segid "MRG " and resid 267 and name HD% )
(( segid "MRG " and resid 264 and name HB2 ))
4.700 2.700 1.300 peak 327 spectrum 1 weight 0.10000E+01 volume 0.15293E-03 ppm1 7.520 ppm2 1.563 CV 1
OR { 327}
( segid "MRG " and resid 267 and name HD% )
(( segid "MRG " and resid 270 and name HB ))
OR { 327}
(( segid "MRG " and resid 182 and name HZ ))
(( segid "MRG " and resid 261 and name HB2 ))
ASSI { 328}
( segid "MRG " and resid 258 and name HE% )
( segid "MRG " and resid 254 and name HE% )
3.700 1.700 1.700 peak 328 spectrum 1 weight 0.10000E+01 volume 0.50421E-03 ppm1 6.585 ppm2 2.212 CV 1
OR { 328}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 261 and name HG2 ))
OR { 328}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 261 and name HG1 ))
OR { 328}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 312 and name HG2 ))
ASSI { 331}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 262 and name HE1 ))
3.000 1.100 1.100 peak 331 spectrum 1 weight 0.10000E+01 volume 0.21537E-02 ppm1 6.578 ppm2 7.446 CV 1
OR { 331}
( segid "MRG " and resid 258 and name HE% )
(( segid "MRG " and resid 262 and name HE1 ))
ASSI { 332}
(( segid "MRG " and resid 167 and name HD1 ))
(( segid "MRG " and resid 167 and name HB1 ))
3.100 1.200 1.200 peak 332 spectrum 1 weight 0.10000E+01 volume 0.30319E-02 ppm1 6.806 ppm2 2.924 CV 1
OR { 332}
( segid "MRG " and resid 225 and name HE% )
(( segid "MRG " and resid 262 and name HB2 ))
OR { 332}
( segid "MRG " and resid 225 and name HE% )
(( segid "MRG " and resid 262 and name HB1 ))
OR { 332}
( segid "MRG " and resid 225 and name HE% )
(( segid "MRG " and resid 225 and name HB2 ))
ASSI { 336}
( segid "MRG " and resid 267 and name HE% )
(( segid "MRG " and resid 263 and name HG ))
3.400 1.400 1.400 peak 336 spectrum 1 weight 0.10000E+01 volume 0.12855E-02 ppm1 7.253 ppm2 1.793 CV 1
OR { 336}
( segid "MRG " and resid 267 and name HE% )
(( segid "MRG " and resid 295 and name HB2 ))
OR { 336}
( segid "MRG " and resid 267 and name HE% )
(( segid "MRG " and resid 295 and name HB1 ))
ASSI { 337}
( segid "MRG " and resid 267 and name HE% )
( segid "MRG " and resid 263 and name HD1%)
3.400 1.500 1.500 peak 337 spectrum 1 weight 0.10000E+01 volume 0.11487E-02 ppm1 7.251 ppm2 1.084 CV 1
OR { 337}
( segid "MRG " and resid 267 and name HE% )
(( segid "MRG " and resid 295 and name HG ))
ASSI { 341}
(( segid "MRG " and resid 294 and name HZ ))
( segid "MRG " and resid 263 and name HD1%)
2.800 1.000 1.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.36730E-02 ppm1 6.989 ppm2 1.087 CV 1
OR { 341}
(( segid "MRG " and resid 292 and name HD2 ))
(( segid "MRG " and resid 295 and name HG ))
ASSI { 342}
( segid "MRG " and resid 225 and name HD% )
( segid "MRG " and resid 263 and name HD2%)
3.300 1.400 1.400 peak 342 spectrum 1 weight 0.10000E+01 volume 0.22072E-02 ppm1 6.941 ppm2 0.846 CV 1
OR { 342}
( segid "MRG " and resid 200 and name HE% )
(( segid "MRG " and resid 201 and name HG2 ))
ASSI { 343}
( segid "MRG " and resid 267 and name HE% )
( segid "MRG " and resid 263 and name HD2%)
2.500 0.800 0.800 peak 343 spectrum 1 weight 0.10000E+01 volume 0.57435E-02 ppm1 7.252 ppm2 0.831 CV 1
OR { 343}
( segid "MRG " and resid 267 and name HE% )
( segid "MRG " and resid 291 and name HD1%)
ASSI { 351}
( segid "MRG " and resid 258 and name HD% )
( segid "MRG " and resid 257 and name HG1%)
4.200 2.200 1.800 peak 351 spectrum 1 weight 0.10000E+01 volume 0.34059E-03 ppm1 6.452 ppm2 0.798 CV 1
OR { 351}
( segid "MRG " and resid 258 and name HD% )
(( segid "MRG " and resid 229 and name HG ))
OR { 351}
( segid "MRG " and resid 224 and name HE% )
(( segid "MRG " and resid 270 and name HG12))
ASSI { 352}
( segid "MRG " and resid 225 and name HD% )
( segid "MRG " and resid 266 and name HD1%)
3.000 1.100 1.100 peak 352 spectrum 1 weight 0.10000E+01 volume 0.21938E-02 ppm1 6.945 ppm2 0.800 CV 1
OR { 352}
( segid "MRG " and resid 224 and name HD% )
( segid "MRG " and resid 266 and name HD1%)
ASSI { 353}
( segid "MRG " and resid 225 and name HE% )
(( segid "MRG " and resid 229 and name HG ))
2.900 1.100 1.100 peak 353 spectrum 1 weight 0.10000E+01 volume 0.43743E-02 ppm1 6.798 ppm2 0.790 CV 1
OR { 353}
(( segid "MRG " and resid 167 and name HD1 ))
( segid "MRG " and resid 164 and name HD1%)
OR { 353}
( segid "MRG " and resid 225 and name HE% )
( segid "MRG " and resid 266 and name HD1%)
ASSI { 366}
( segid "MRG " and resid 224 and name HE% )
(( segid "MRG " and resid 270 and name HA ))
4.800 2.800 1.200 peak 366 spectrum 1 weight 0.10000E+01 volume 0.24843E-03 ppm1 6.456 ppm2 3.575 CV 1
OR { 366}
( segid "MRG " and resid 258 and name HD% )
(( segid "MRG " and resid 259 and name HA2 ))
OR { 366}
( segid "MRG " and resid 258 and name HD% )
(( segid "MRG " and resid 261 and name HD1 ))
ASSI { 367}
( segid "MRG " and resid 224 and name HE% )
( segid "MRG " and resid 270 and name HD1%)
3.800 1.800 1.800 peak 367 spectrum 1 weight 0.10000E+01 volume 0.56099E-03 ppm1 6.456 ppm2 0.237 CV 1
OR { 367}
( segid "MRG " and resid 258 and name HD% )
( segid "MRG " and resid 234 and name HD2%)
ASSI { 370}
( segid "MRG " and resid 267 and name HD% )
( segid "MRG " and resid 295 and name HD1%)
2.600 0.800 0.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.54763E-02 ppm1 7.523 ppm2 0.723 CV 1
OR { 370}
( segid "MRG " and resid 267 and name HD% )
( segid "MRG " and resid 291 and name HD2%)
OR { 370}
( segid "MRG " and resid 267 and name HD% )
( segid "MRG " and resid 270 and name HG2%)
ASSI { 371}
( segid "MRG " and resid 290 and name HD% )
( segid "MRG " and resid 217 and name HG2%)
2.800 1.000 1.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.33024E-02 ppm1 7.252 ppm2 0.715 CV 1
OR { 371}
( segid "MRG " and resid 267 and name HE% )
( segid "MRG " and resid 291 and name HD2%)
OR { 371}
( segid "MRG " and resid 267 and name HE% )
( segid "MRG " and resid 295 and name HD1%)
ASSI { 373}
( segid "MRG " and resid 224 and name HD% )
(( segid "MRG " and resid 223 and name HB1 ))
3.400 1.400 1.400 peak 373 spectrum 1 weight 0.10000E+01 volume 0.95831E-03 ppm1 6.950 ppm2 1.898 CV 1
OR { 373}
( segid "MRG " and resid 224 and name HD% )
(( segid "MRG " and resid 273 and name HB1 ))
OR { 373}
( segid "MRG " and resid 224 and name HD% )
( segid "MRG " and resid 273 and name HE% )
OR { 373}
( segid "MRG " and resid 225 and name HD% )
(( segid "MRG " and resid 223 and name HB1 ))
ASSI { 383}
( segid "MRG " and resid 290 and name HE% )
(( segid "MRG " and resid 286 and name HA ))
4.000 2.000 2.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.57101E-03 ppm1 6.691 ppm2 4.062 CV 1
OR { 383}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 194 and name HA ))
ASSI { 384}
( segid "MRG " and resid 290 and name HD% )
(( segid "MRG " and resid 286 and name HG ))
2.800 1.000 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.12922E-02 ppm1 7.285 ppm2 1.670 CV 1
OR { 384}
( segid "MRG " and resid 237 and name HD% )
(( segid "MRG " and resid 175 and name HB ))
OR { 384}
( segid "MRG " and resid 237 and name HD% )
(( segid "MRG " and resid 175 and name HG12))
OR { 384}
( segid "MRG " and resid 290 and name HD% )
(( segid "MRG " and resid 210 and name HD2 ))
OR { 384}
( segid "MRG " and resid 290 and name HD% )
(( segid "MRG " and resid 288 and name HG ))
ASSI { 385}
( segid "MRG " and resid 290 and name HE% )
(( segid "MRG " and resid 286 and name HG ))
3.000 1.100 1.100 peak 385 spectrum 1 weight 0.10000E+01 volume 0.15293E-02 ppm1 6.687 ppm2 1.670 CV 1
OR { 385}
( segid "MRG " and resid 290 and name HE% )
(( segid "MRG " and resid 210 and name HD2 ))
OR { 385}
(( segid "MRG " and resid 262 and name HD2 ))
(( segid "MRG " and resid 265 and name HG2 ))
OR { 385}
(( segid "MRG " and resid 262 and name HD2 ))
(( segid "MRG " and resid 265 and name HG1 ))
OR { 385}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 300 and name HB2 ))
ASSI { 387}
( segid "MRG " and resid 290 and name HE% )
( segid "MRG " and resid 286 and name HD1%)
2.300 0.700 0.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.84814E-02 ppm1 6.685 ppm2 0.925 CV 1
OR { 387}
( segid "MRG " and resid 197 and name HE% )
( segid "MRG " and resid 214 and name HG1%)
ASSI { 390}
( segid "MRG " and resid 290 and name HE% )
(( segid "MRG " and resid 287 and name HA ))
3.300 3.300 2.700 peak 390 spectrum 1 weight 0.10000E+01 volume 0.69121E-03 ppm1 6.691 ppm2 3.985 CV 1
OR { 390}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 245 and name HA ))
OR { 390}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 244 and name HA ))
OR { 390}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 300 and name HA ))
ASSI { 397}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 297 and name HB1 ))
4.000 2.000 2.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.56099E-03 ppm1 6.684 ppm2 3.253 CV 1
OR { 397}
( segid "MRG " and resid 290 and name HE% )
(( segid "MRG " and resid 290 and name HB1 ))
ASSI { 404}
( segid "MRG " and resid 267 and name HE% )
(( segid "MRG " and resid 291 and name HG ))
3.800 1.800 1.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.56099E-03 ppm1 7.255 ppm2 2.091 CV 1
OR { 404}
( segid "MRG " and resid 290 and name HD% )
(( segid "MRG " and resid 291 and name HG ))
ASSI { 412}
( segid "MRG " and resid 197 and name HE% )
(( segid "MRG " and resid 293 and name HA ))
3.900 1.900 1.900 peak 412 spectrum 1 weight 0.10000E+01 volume 0.62440E-03 ppm1 6.685 ppm2 4.428 CV 1
OR { 412}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 184 and name HA ))
OR { 412}
( segid "MRG " and resid 183 and name HE% )
(( segid "MRG " and resid 237 and name HA ))
ASSI { 425}
( segid "MRG " and resid 267 and name HD% )
(( segid "MRG " and resid 295 and name HG ))
4.300 2.400 1.700 peak 425 spectrum 1 weight 0.10000E+01 volume 0.35729E-03 ppm1 7.520 ppm2 1.062 CV 1
OR { 425}
( segid "MRG " and resid 267 and name HD% )
( segid "MRG " and resid 268 and name HG2%)
ASSI { 449}
( segid "MRG " and resid 297 and name HD% )
(( segid "MRG " and resid 298 and name HA ))
3.100 1.200 1.200 peak 449 spectrum 1 weight 0.10000E+01 volume 0.16762E-02 ppm1 6.287 ppm2 3.414 CV 1
OR { 449}
( segid "MRG " and resid 297 and name HD% )
(( segid "MRG " and resid 197 and name HA ))
ASSI { 456}
( segid "MRG " and resid 267 and name HD% )
( segid "MRG " and resid 266 and name HD2%)
3.900 1.900 1.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.70457E-03 ppm1 7.520 ppm2 0.616 CV 1
OR { 456}
( segid "MRG " and resid 267 and name HD% )
( segid "MRG " and resid 298 and name HD1%)
OR { 456}
(( segid "MRG " and resid 182 and name HZ ))
( segid "MRG " and resid 257 and name HG2%)
OR { 456}
(( segid "MRG " and resid 182 and name HZ ))
(( segid "MRG " and resid 184 and name HB2 ))
ASSI { 457}
( segid "MRG " and resid 267 and name HE% )
( segid "MRG " and resid 298 and name HD1%)
3.100 1.200 1.200 peak 457 spectrum 1 weight 0.10000E+01 volume 0.16629E-02 ppm1 7.252 ppm2 0.610 CV 1
OR { 457}
( segid "MRG " and resid 267 and name HE% )
(( segid "MRG " and resid 221 and name HG12))
ASSI { 458}
(( segid "MRG " and resid 267 and name HZ ))
( segid "MRG " and resid 298 and name HD1%)
3.200 1.300 1.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.11487E-02 ppm1 7.093 ppm2 0.610 CV 1
OR { 458}
(( segid "MRG " and resid 267 and name HZ ))
(( segid "MRG " and resid 221 and name HG12))
ASSI { 463}
( segid "MRG " and resid 306 and name HE% )
( segid "MRG " and resid 305 and name HD1%)
2.800 1.000 1.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.20803E-02 ppm1 6.837 ppm2 0.616 CV 1
OR { 463}
( segid "MRG " and resid 306 and name HE% )
( segid "MRG " and resid 298 and name HD1%)
ASSI { 464}
( segid "MRG " and resid 267 and name HE% )
( segid "MRG " and resid 221 and name HG2%)
3.400 1.400 1.400 peak 464 spectrum 1 weight 0.10000E+01 volume 0.13123E-02 ppm1 7.253 ppm2 0.560 CV 1
OR { 464}
( segid "MRG " and resid 267 and name HE% )
( segid "MRG " and resid 298 and name HD2%)
ASSI { 465}
( segid "MRG " and resid 294 and name HD% )
( segid "MRG " and resid 298 and name HD2%)
3.600 1.600 1.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.13022E-02 ppm1 6.069 ppm2 0.560 CV 1
OR { 465}
( segid "MRG " and resid 294 and name HD% )
( segid "MRG " and resid 194 and name HD2%)
OR { 465}
( segid "MRG " and resid 294 and name HD% )
( segid "MRG " and resid 221 and name HG2%)
ASSI { 466}
( segid "MRG " and resid 294 and name HE% )
( segid "MRG " and resid 298 and name HD2%)
2.800 1.000 1.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.28583E-02 ppm1 6.902 ppm2 0.563 CV 1
OR { 466}
( segid "MRG " and resid 294 and name HE% )
( segid "MRG " and resid 221 and name HG2%)
ASSI { 467}
(( segid "MRG " and resid 294 and name HZ ))
( segid "MRG " and resid 298 and name HD2%)
3.100 1.200 1.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.20469E-02 ppm1 6.990 ppm2 0.562 CV 1
OR { 467}
(( segid "MRG " and resid 294 and name HZ ))
( segid "MRG " and resid 221 and name HG2%)
ASSI { 472}
( segid "MRG " and resid 306 and name HE% )
(( segid "MRG " and resid 299 and name HA ))
3.700 1.700 1.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.11553E-02 ppm1 6.839 ppm2 3.752 CV 1
OR { 472}
(( segid "MRG " and resid 172 and name HZ3 ))
(( segid "MRG " and resid 172 and name HB1 ))
ASSI { 475}
( segid "MRG " and resid 224 and name HD% )
(( segid "MRG " and resid 224 and name HB1 ))
2.600 0.900 0.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.40738E-02 ppm1 6.945 ppm2 2.942 CV 1
OR { 475}
( segid "MRG " and resid 225 and name HD% )
(( segid "MRG " and resid 225 and name HB2 ))
ASSI { 478}
( segid "MRG " and resid 306 and name HD% )
(( segid "MRG " and resid 302 and name HB2 ))
3.100 1.200 1.200 peak 478 spectrum 1 weight 0.10000E+01 volume 0.19033E-02 ppm1 6.771 ppm2 4.199 CV 1
OR { 478}
( segid "MRG " and resid 306 and name HD% )
(( segid "MRG " and resid 302 and name HB1 ))
OR { 478}
( segid "MRG " and resid 212 and name HE% )
(( segid "MRG " and resid 213 and name HA ))
ASSI { 489}
(( segid "MRG " and resid 167 and name HZ3 ))
( segid "MRG " and resid 308 and name HB% )
2.900 1.100 1.100 peak 489 spectrum 1 weight 0.10000E+01 volume 0.35395E-02 ppm1 7.037 ppm2 1.545 CV 1
OR { 489}
( segid "MRG " and resid 237 and name HE% )
(( segid "MRG " and resid 179 and name HB2 ))
ASSI { 491}
( segid "MRG " and resid 311 and name HE% )
( segid "MRG " and resid 308 and name HB% )
3.900 1.900 1.900 peak 491 spectrum 1 weight 0.10000E+01 volume 0.87486E-03 ppm1 7.151 ppm2 1.545 CV 1
OR { 491}
( segid "MRG " and resid 311 and name HE% )
(( segid "MRG " and resid 261 and name HB1 ))
ASSI { 493}
( segid "MRG " and resid 258 and name HE% )
( segid "MRG " and resid 242 and name HD% )
3.500 1.600 1.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.13323E-02 ppm1 6.581 ppm2 7.151 CV 1
OR { 493}
( segid "MRG " and resid 182 and name HD% )
( segid "MRG " and resid 311 and name HE% )
ASSI { 499}
( segid "MRG " and resid 237 and name HE% )
( segid "MRG " and resid 314 and name HB% )
2.700 0.900 0.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.48084E-02 ppm1 7.045 ppm2 1.294 CV 1
OR { 499}
( segid "MRG " and resid 237 and name HE% )
(( segid "MRG " and resid 181 and name HG ))
ASSI { 502}
( segid "MRG " and resid 318 and name HE% )
( segid "MRG " and resid 314 and name HB% )
4.000 2.000 2.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.54095E-03 ppm1 5.875 ppm2 1.300 CV 1
OR { 502}
( segid "MRG " and resid 318 and name HE% )
(( segid "MRG " and resid 181 and name HG ))
ASSI { 503}
(( segid "MRG " and resid 319 and name HD2 ))
( segid "MRG " and resid 314 and name HB% )
3.300 1.300 1.300 peak 503 spectrum 1 weight 0.10000E+01 volume 0.15126E-02 ppm1 7.234 ppm2 1.300 CV 1
OR { 503}
( segid "MRG " and resid 267 and name HE% )
(( segid "MRG " and resid 291 and name HB2 ))
ASSI { 507}
(( segid "MRG " and resid 319 and name HD2 ))
(( segid "MRG " and resid 316 and name HA ))
2.700 0.900 0.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.38066E-02 ppm1 7.233 ppm2 4.224 CV 1
OR { 507}
(( segid "MRG " and resid 319 and name HD2 ))
(( segid "MRG " and resid 319 and name HA ))
ASSI { 518}
( segid "MRG " and resid 237 and name HE% )
(( segid "MRG " and resid 319 and name HA ))
2.800 1.000 1.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.27448E-02 ppm1 7.043 ppm2 4.210 CV 1
OR { 518}
( segid "MRG " and resid 212 and name HD% )
(( segid "MRG " and resid 213 and name HA ))
ASSI { 527}
( segid "MRG " and resid 237 and name HE% )
( segid "MRG " and resid 322 and name HB% )
2.700 0.900 0.900 peak 527 spectrum 1 weight 0.10000E+01 volume 0.47082E-02 ppm1 7.044 ppm2 1.247 CV 1
OR { 527}
( segid "MRG " and resid 212 and name HD% )
( segid "MRG " and resid 213 and name HB% )
ASSI { 537}
( segid "MRG " and resid 267 and name HD% )
( segid "MRG " and resid 264 and name HD1%)
2.600 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.22205E-02 ppm1 7.520 ppm2 0.898 CV 1
OR { 537}
( segid "MRG " and resid 267 and name HD% )
( segid "MRG " and resid 168 and name HD2%)
ASSI { 538}
(( segid "MRG " and resid 167 and name HD1 ))
(( segid "MRG " and resid 167 and name HA ))
3.300 1.400 1.400 peak 538 spectrum 1 weight 0.10000E+01 volume 0.17364E-02 ppm1 6.792 ppm2 4.343 CV 1
OR { 538}
( segid "MRG " and resid 225 and name HE% )
(( segid "MRG " and resid 264 and name HA ))
ASSI { 541}
( segid "MRG " and resid 197 and name HD% )
( segid "MRG " and resid 198 and name HB% )
5.000 3.100 1.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.17764E-03 ppm1 6.495 ppm2 1.421 CV 1
OR { 541}
( segid "MRG " and resid 197 and name HD% )
(( segid "MRG " and resid 194 and name HB2 ))
ASSI { 544}
( segid "MRG " and resid 225 and name HE% )
(( segid "MRG " and resid 190 and name HB ))
3.500 1.600 1.600 peak 544 spectrum 1 weight 0.10000E+01 volume 0.12622E-02 ppm1 6.804 ppm2 2.079 CV 1
OR { 544}
( segid "MRG " and resid 225 and name HE% )
(( segid "MRG " and resid 253 and name HB2 ))
OR { 544}
(( segid "MRG " and resid 167 and name HD1 ))
(( segid "MRG " and resid 169 and name HB ))
OR { 544}
( segid "MRG " and resid 242 and name HE% )
(( segid "MRG " and resid 253 and name HB2 ))
OR { 544}
( segid "MRG " and resid 225 and name HE% )
(( segid "MRG " and resid 253 and name HG2 ))
ASSI { 549}
( segid "MRG " and resid 182 and name HD% )
( segid "MRG " and resid 245 and name HD1%)
4.600 2.600 1.400 peak 549 spectrum 1 weight 0.10000E+01 volume 0.22974E-03 ppm1 6.578 ppm2 0.647 CV 1
OR { 549}
( segid "MRG " and resid 182 and name HD% )
(( segid "MRG " and resid 184 and name HB2 ))
Contact the webmaster for help, if required. Sunday, May 19, 2024 1:34:36 AM GMT (wattos1)