NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
|
|
7164 |
1k1z   |
5179 | cing | recoord | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 24}
(( segid " " and resid 67 and name HE1 ))
(( segid " " and resid 67 and name HN ))
4.300 2.300 1.700 peak 24 weight 0.10000E+01 volume 0.69757E-03 ppm1 9.756 ppm2 8.987 CV 1
ASSI { 25}
(( segid " " and resid 67 and name HE1 ))
(( segid " " and resid 67 and name HD1 ))
2.500 0.800 0.800 peak 25 weight 0.10000E+01 volume 0.64917E-02 ppm1 9.754 ppm2 7.518 CV 1
ASSI { 27}
(( segid " " and resid 67 and name HE1 ))
(( segid " " and resid 67 and name HH2 ))
4.600 2.700 1.400 peak 27 weight 0.10000E+01 volume 0.55315E-03 ppm1 9.755 ppm2 6.998 CV 1
ASSI { 28}
(( segid " " and resid 67 and name HE1 ))
(( segid " " and resid 32 and name HN ))
4.100 2.100 1.900 peak 28 weight 0.10000E+01 volume 0.46901E-03 ppm1 9.758 ppm2 6.596 CV 1
ASSI { 30}
(( segid " " and resid 67 and name HE1 ))
(( segid " " and resid 32 and name HA1 ))
3.300 1.400 1.400 peak 30 weight 0.10000E+01 volume 0.24150E-02 ppm1 9.754 ppm2 4.266 CV 1
ASSI { 31}
(( segid " " and resid 67 and name HE1 ))
(( segid " " and resid 56 and name HG3 ))
4.200 2.200 1.800 peak 31 weight 0.10000E+01 volume 0.55851E-03 ppm1 9.756 ppm2 1.550 CV 1
ASSI { 32}
(( segid " " and resid 67 and name HE1 ))
(( segid " " and resid 56 and name HG2 ))
3.400 1.400 1.400 peak 32 weight 0.10000E+01 volume 0.83998E-03 ppm1 9.753 ppm2 0.564 CV 1
ASSI { 34}
(( segid " " and resid 67 and name HE1 ))
(( segid " " and resid 33 and name HN ))
4.400 2.400 1.600 peak 34 weight 0.10000E+01 volume 0.34902E-03 ppm1 9.748 ppm2 8.587 CV 1
ASSI { 36}
(( segid " " and resid 67 and name HE1 ))
(( segid " " and resid 31 and name HA ))
4.000 2.000 2.000 peak 36 weight 0.10000E+01 volume 0.50619E-03 ppm1 9.752 ppm2 4.020 CV 1
ASSI { 37}
(( segid " " and resid 67 and name HE1 ))
(( segid " " and resid 32 and name HA2 ))
3.400 1.400 1.400 peak 37 weight 0.10000E+01 volume 0.95626E-03 ppm1 9.752 ppm2 3.882 CV 1
ASSI { 38}
(( segid " " and resid 67 and name HE1 ))
(( segid " " and resid 31 and name HB3 ))
4.600 2.600 1.400 peak 38 weight 0.10000E+01 volume 0.36446E-03 ppm1 9.753 ppm2 2.065 CV 1
ASSI { 39}
(( segid " " and resid 67 and name HE1 ))
(( segid " " and resid 31 and name HB2 ))
3.600 1.600 1.600 peak 39 weight 0.10000E+01 volume 0.63911E-03 ppm1 9.752 ppm2 1.274 CV 1
ASSI { 40}
(( segid " " and resid 67 and name HE1 ))
(( segid " " and resid 56 and name HB3 ))
3.400 1.500 1.500 peak 40 weight 0.10000E+01 volume 0.39512E-03 ppm1 9.753 ppm2 -0.807 CV 1
ASSI { 76}
(( segid " " and resid 54 and name HE1 ))
(( segid " " and resid 54 and name HD1 ))
2.600 0.800 0.800 peak 76 weight 0.10000E+01 volume 0.56043E-02 ppm1 10.196 ppm2 7.208 CV 1
ASSI { 78}
(( segid " " and resid 54 and name HE1 ))
(( segid " " and resid 28 and name HG3 ))
3.500 1.500 1.500 peak 78 weight 0.10000E+01 volume 0.92804E-03 ppm1 10.196 ppm2 1.628 CV 1
ASSI { 79}
(( segid " " and resid 54 and name HE1 ))
(( segid " " and resid 28 and name HG2 ))
3.500 1.500 1.500 peak 79 weight 0.10000E+01 volume 0.78976E-03 ppm1 10.197 ppm2 1.374 CV 1
ASSI { 80}
(( segid " " and resid 54 and name HE1 ))
(( segid " " and resid 53 and name HB2 ))
3.500 1.600 1.600 peak 80 weight 0.10000E+01 volume 0.10695E-02 ppm1 10.193 ppm2 2.617 CV 1
OR { 80}
(( segid " " and resid 54 and name HE1 ))
(( segid " " and resid 53 and name HB3 ))
ASSI { 81}
(( segid " " and resid 54 and name HE1 ))
(( segid " " and resid 27 and name HA ))
4.400 2.400 1.600 peak 81 weight 0.10000E+01 volume 0.45204E-03 ppm1 10.194 ppm2 2.371 CV 1
ASSI { 82}
(( segid " " and resid 54 and name HE1 ))
(( segid " " and resid 28 and name HD3 ))
3.500 1.600 1.600 peak 82 weight 0.10000E+01 volume 0.12611E-02 ppm1 10.194 ppm2 2.203 CV 1
ASSI { 100}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HN ))
4.500 2.500 1.500 peak 100 weight 0.10000E+01 volume 0.42770E-03 ppm1 9.368 ppm2 8.490 CV 1
ASSI { 101}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 16 and name HA ))
3.400 1.500 1.500 peak 101 weight 0.10000E+01 volume 0.14624E-02 ppm1 9.364 ppm2 5.083 CV 1
ASSI { 102}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HA ))
2.100 0.500 0.500 peak 102 weight 0.10000E+01 volume 0.11365E-01 ppm1 9.363 ppm2 4.778 CV 1
ASSI { 103}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 59 and name HA ))
4.100 2.100 1.900 peak 103 weight 0.10000E+01 volume 0.44974E-03 ppm1 9.370 ppm2 4.613 CV 1
ASSI { 104}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 15 and name HB3 ))
3.300 1.400 1.400 peak 104 weight 0.10000E+01 volume 0.70016E-03 ppm1 9.366 ppm2 1.873 CV 1
ASSI { 106}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HB ))
2.600 0.800 0.800 peak 106 weight 0.10000E+01 volume 0.37270E-02 ppm1 9.364 ppm2 1.523 CV 1
ASSI { 109}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 16 and name HN ))
3.700 1.700 1.700 peak 109 weight 0.10000E+01 volume 0.83375E-03 ppm1 9.362 ppm2 9.521 CV 1
ASSI { 110}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 15 and name HN ))
2.800 1.000 1.000 peak 110 weight 0.10000E+01 volume 0.20710E-02 ppm1 9.362 ppm2 9.081 CV 1
ASSI { 113}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 43 and name HG1%)
3.000 1.100 1.100 peak 113 weight 0.10000E+01 volume 0.28970E-02 ppm1 9.362 ppm2 0.399 CV 1
ASSI { 144}
(( segid " " and resid 55 and name HE1 ))
(( segid " " and resid 49 and name HN ))
3.600 1.600 1.600 peak 144 weight 0.10000E+01 volume 0.86182E-03 ppm1 9.845 ppm2 8.346 CV 1
ASSI { 146}
(( segid " " and resid 55 and name HE1 ))
(( segid " " and resid 55 and name HD1 ))
2.600 0.800 0.800 peak 146 weight 0.10000E+01 volume 0.47351E-02 ppm1 9.845 ppm2 7.289 CV 1
ASSI { 147}
(( segid " " and resid 55 and name HE1 ))
(( segid " " and resid 55 and name HH2 ))
4.100 2.100 1.900 peak 147 weight 0.10000E+01 volume 0.10945E-02 ppm1 9.845 ppm2 7.181 CV 1
ASSI { 149}
(( segid " " and resid 55 and name HE1 ))
(( segid " " and resid 70 and name HB2 ))
4.000 2.000 2.000 peak 149 weight 0.10000E+01 volume 0.44256E-03 ppm1 9.847 ppm2 0.875 CV 1
ASSI { 151}
(( segid " " and resid 55 and name HE1 ))
( segid " " and resid 48 and name HB% )
3.900 1.900 1.900 peak 151 weight 0.10000E+01 volume 0.86854E-03 ppm1 9.845 ppm2 0.247 CV 1
ASSI { 152}
(( segid " " and resid 55 and name HE1 ))
(( segid " " and resid 55 and name HA ))
4.500 2.500 1.500 peak 152 weight 0.10000E+01 volume 0.38027E-03 ppm1 9.842 ppm2 5.232 CV 1
ASSI { 154}
(( segid " " and resid 55 and name HE1 ))
(( segid " " and resid 53 and name HA ))
4.300 2.300 1.700 peak 154 weight 0.10000E+01 volume 0.31500E-03 ppm1 9.840 ppm2 4.615 CV 1
ASSI { 155}
(( segid " " and resid 55 and name HE1 ))
(( segid " " and resid 50 and name HA ))
3.300 1.300 1.300 peak 155 weight 0.10000E+01 volume 0.55152E-03 ppm1 9.843 ppm2 4.283 CV 1
ASSI { 156}
(( segid " " and resid 55 and name HE1 ))
(( segid " " and resid 48 and name HA ))
4.200 2.200 1.800 peak 156 weight 0.10000E+01 volume 0.84698E-03 ppm1 9.843 ppm2 4.058 CV 1
ASSI { 158}
(( segid " " and resid 55 and name HE1 ))
(( segid " " and resid 55 and name HB2 ))
4.700 2.700 1.300 peak 158 weight 0.10000E+01 volume 0.33570E-03 ppm1 9.840 ppm2 2.061 CV 1
ASSI { 159}
(( segid " " and resid 55 and name HE1 ))
(( segid " " and resid 70 and name HB3 ))
4.300 2.300 1.700 peak 159 weight 0.10000E+01 volume 0.36502E-03 ppm1 9.842 ppm2 0.648 CV 1
ASSI { 167}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 49 and name HN ))
3.900 1.900 1.900 peak 167 weight 0.10000E+01 volume 0.10753E-02 ppm1 8.518 ppm2 8.357 CV 1
ASSI { 168}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HN ))
4.500 2.500 1.500 peak 168 weight 0.10000E+01 volume 0.46249E-03 ppm1 8.519 ppm2 7.486 CV 1
ASSI { 171}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HA ))
2.400 0.700 0.700 peak 171 weight 0.10000E+01 volume 0.65252E-02 ppm1 8.516 ppm2 4.268 CV 1
ASSI { 172}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HA ))
3.100 1.200 1.200 peak 172 weight 0.10000E+01 volume 0.14941E-02 ppm1 8.519 ppm2 4.052 CV 1
ASSI { 173}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB2 ))
4.100 2.100 1.900 peak 173 weight 0.10000E+01 volume 0.11059E-02 ppm1 8.517 ppm2 1.789 CV 1
ASSI { 174}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB3 ))
4.100 2.100 1.900 peak 174 weight 0.10000E+01 volume 0.63164E-03 ppm1 8.517 ppm2 1.574 CV 1
ASSI { 175}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HD2 ))
4.200 2.200 1.800 peak 175 weight 0.10000E+01 volume 0.59704E-03 ppm1 8.522 ppm2 1.368 CV 1
OR { 175}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HD3 ))
ASSI { 177}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 48 and name HB% )
3.000 1.100 1.100 peak 177 weight 0.10000E+01 volume 0.23613E-02 ppm1 8.517 ppm2 0.249 CV 1
ASSI { 178}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 49 and name HG2 ))
4.000 2.000 2.000 peak 178 weight 0.10000E+01 volume 0.49335E-03 ppm1 8.513 ppm2 2.235 CV 1
OR { 178}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 49 and name HG3 ))
ASSI { 191}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HN ))
3.900 1.900 1.900 peak 191 weight 0.10000E+01 volume 0.13283E-02 ppm1 7.363 ppm2 8.150 CV 1
ASSI { 196}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HD2 ))
3.800 1.800 1.800 peak 196 weight 0.10000E+01 volume 0.73140E-03 ppm1 7.364 ppm2 6.804 CV 1
ASSI { 198}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HA ))
2.800 1.000 1.000 peak 198 weight 0.10000E+01 volume 0.33321E-02 ppm1 7.363 ppm2 4.248 CV 1
ASSI { 199}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HA ))
2.200 0.600 0.600 peak 199 weight 0.10000E+01 volume 0.11040E-01 ppm1 7.362 ppm2 4.030 CV 1
ASSI { 200}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HB2 ))
3.100 1.200 1.200 peak 200 weight 0.10000E+01 volume 0.17000E-02 ppm1 7.363 ppm2 2.943 CV 1
ASSI { 201}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HB3 ))
3.200 1.300 1.300 peak 201 weight 0.10000E+01 volume 0.24849E-02 ppm1 7.363 ppm2 2.832 CV 1
ASSI { 202}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HB ))
3.800 1.800 1.800 peak 202 weight 0.10000E+01 volume 0.11586E-02 ppm1 7.361 ppm2 1.946 CV 1
ASSI { 203}
(( segid " " and resid 78 and name HN ))
( segid " " and resid 77 and name HG1%)
3.500 1.600 1.600 peak 203 weight 0.10000E+01 volume 0.23316E-02 ppm1 7.363 ppm2 0.777 CV 1
ASSI { 215}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 14 and name HN ))
3.800 1.800 1.800 peak 215 weight 0.10000E+01 volume 0.53168E-03 ppm1 8.150 ppm2 8.324 CV 1
ASSI { 218}
(( segid " " and resid 77 and name HN ))
( segid " " and resid 76 and name HD% )
3.400 1.500 1.500 peak 218 weight 0.10000E+01 volume 0.13695E-02 ppm1 8.147 ppm2 7.010 CV 1
ASSI { 220}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 75 and name HA ))
4.700 2.700 1.300 peak 220 weight 0.10000E+01 volume 0.31155E-03 ppm1 8.148 ppm2 4.979 CV 1
ASSI { 222}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 77 and name HA ))
2.800 1.000 1.000 peak 222 weight 0.10000E+01 volume 0.26699E-02 ppm1 8.149 ppm2 4.030 CV 1
ASSI { 223}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HB3 ))
3.100 1.200 1.200 peak 223 weight 0.10000E+01 volume 0.10676E-02 ppm1 8.146 ppm2 2.707 CV 1
ASSI { 224}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 77 and name HB ))
2.700 0.900 0.900 peak 224 weight 0.10000E+01 volume 0.34749E-02 ppm1 8.149 ppm2 1.944 CV 1
ASSI { 239}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HN ))
3.500 1.500 1.500 peak 239 weight 0.10000E+01 volume 0.62694E-03 ppm1 8.144 ppm2 8.539 CV 1
ASSI { 240}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 78 and name HE1 ))
3.700 1.700 1.700 peak 240 weight 0.10000E+01 volume 0.87323E-03 ppm1 8.146 ppm2 7.994 CV 1
ASSI { 253}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 18 and name HD% )
3.200 1.300 1.300 peak 253 weight 0.10000E+01 volume 0.12756E-02 ppm1 8.799 ppm2 6.904 CV 1
ASSI { 254}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 73 and name HA ))
2.700 0.900 0.900 peak 254 weight 0.10000E+01 volume 0.34634E-02 ppm1 8.798 ppm2 5.331 CV 1
ASSI { 255}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
3.000 1.100 1.100 peak 255 weight 0.10000E+01 volume 0.17604E-02 ppm1 8.796 ppm2 5.051 CV 1
ASSI { 256}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
2.200 0.600 0.600 peak 256 weight 0.10000E+01 volume 0.72220E-02 ppm1 8.798 ppm2 3.968 CV 1
ASSI { 257}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 39 and name HA ))
4.300 2.300 1.700 peak 257 weight 0.10000E+01 volume 0.30341E-03 ppm1 8.790 ppm2 3.645 CV 1
ASSI { 258}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB3 ))
3.300 1.300 1.300 peak 258 weight 0.10000E+01 volume 0.10350E-02 ppm1 8.799 ppm2 3.197 CV 1
ASSI { 259}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.200 1.300 1.300 peak 259 weight 0.10000E+01 volume 0.14500E-02 ppm1 8.798 ppm2 2.551 CV 1
ASSI { 260}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 73 and name HB ))
4.000 2.000 2.000 peak 260 weight 0.10000E+01 volume 0.67611E-03 ppm1 8.798 ppm2 2.089 CV 1
ASSI { 261}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HB2 ))
4.800 2.900 1.200 peak 261 weight 0.10000E+01 volume 0.41591E-03 ppm1 8.799 ppm2 1.576 CV 1
ASSI { 262}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HB3 ))
4.500 2.500 1.500 peak 262 weight 0.10000E+01 volume 0.43911E-03 ppm1 8.799 ppm2 1.501 CV 1
ASSI { 263}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 17 and name HG1%)
3.500 1.600 1.600 peak 263 weight 0.10000E+01 volume 0.78794E-03 ppm1 8.795 ppm2 0.824 CV 1
ASSI { 280}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 52 and name HA ))
4.500 2.500 1.500 peak 280 weight 0.10000E+01 volume 0.48482E-03 ppm1 8.742 ppm2 4.938 CV 1
ASSI { 283}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HA ))
2.700 0.900 0.900 peak 283 weight 0.10000E+01 volume 0.31175E-02 ppm1 8.744 ppm2 4.399 CV 1
ASSI { 285}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 50 and name HB% )
2.900 1.000 1.000 peak 285 weight 0.10000E+01 volume 0.26488E-02 ppm1 8.743 ppm2 1.392 CV 1
ASSI { 297}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 40 and name HA1 ))
4.000 2.000 2.000 peak 297 weight 0.10000E+01 volume 0.40806E-03 ppm1 8.925 ppm2 4.452 CV 1
ASSI { 299}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HA ))
4.700 2.800 1.300 peak 299 weight 0.10000E+01 volume 0.35056E-03 ppm1 8.918 ppm2 5.233 CV 1
ASSI { 300}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
3.000 1.100 1.100 peak 300 weight 0.10000E+01 volume 0.14749E-02 ppm1 8.917 ppm2 3.971 CV 1
ASSI { 301}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 41 and name HB2 ))
3.900 1.900 1.900 peak 301 weight 0.10000E+01 volume 0.71702E-03 ppm1 8.917 ppm2 2.694 CV 1
OR { 301}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 41 and name HB3 ))
ASSI { 302}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HG2 ))
4.800 2.900 1.200 peak 302 weight 0.10000E+01 volume 0.39886E-03 ppm1 8.746 ppm2 2.235 CV 1
OR { 302}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HG3 ))
ASSI { 303}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HB2 ))
4.500 2.500 1.500 peak 303 weight 0.10000E+01 volume 0.60883E-03 ppm1 8.745 ppm2 2.019 CV 1
ASSI { 304}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HB3 ))
3.700 1.700 1.700 peak 304 weight 0.10000E+01 volume 0.33273E-03 ppm1 8.736 ppm2 1.718 CV 1
ASSI { 315}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HN ))
4.300 2.300 1.700 peak 315 weight 0.10000E+01 volume 0.50073E-03 ppm1 8.981 ppm2 9.365 CV 1
ASSI { 316}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 59 and name HN ))
4.300 2.300 1.700 peak 316 weight 0.10000E+01 volume 0.33359E-03 ppm1 8.980 ppm2 9.138 CV 1
ASSI { 317}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HN ))
4.000 2.000 2.000 peak 317 weight 0.10000E+01 volume 0.74721E-03 ppm1 8.983 ppm2 8.627 CV 1
ASSI { 319}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 43 and name HN ))
4.300 2.300 1.700 peak 319 weight 0.10000E+01 volume 0.45166E-03 ppm1 8.921 ppm2 9.358 CV 1
ASSI { 320}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 42 and name HD1%)
4.000 2.000 2.000 peak 320 weight 0.10000E+01 volume 0.78132E-03 ppm1 8.920 ppm2 0.302 CV 1
ASSI { 321}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
4.400 2.400 1.600 peak 321 weight 0.10000E+01 volume 0.42052E-03 ppm1 8.919 ppm2 9.540 CV 1
ASSI { 324}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 73 and name HA ))
4.500 2.500 1.500 peak 324 weight 0.10000E+01 volume 0.33311E-03 ppm1 8.916 ppm2 5.328 CV 1
ASSI { 325}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
2.200 0.600 0.600 peak 325 weight 0.10000E+01 volume 0.83893E-02 ppm1 8.919 ppm2 5.092 CV 1
ASSI { 326}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 42 and name HA ))
3.300 1.300 1.300 peak 326 weight 0.10000E+01 volume 0.17815E-02 ppm1 8.916 ppm2 4.777 CV 1
ASSI { 327}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 39 and name HA ))
4.100 2.100 1.900 peak 327 weight 0.10000E+01 volume 0.63375E-03 ppm1 8.916 ppm2 3.650 CV 1
ASSI { 328}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB ))
2.500 0.800 0.800 peak 328 weight 0.10000E+01 volume 0.44428E-02 ppm1 8.918 ppm2 2.182 CV 1
ASSI { 329}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB3 ))
3.100 1.200 1.200 peak 329 weight 0.10000E+01 volume 0.29843E-02 ppm1 8.917 ppm2 2.012 CV 1
OR { 329}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HG2 ))
OR { 329}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HG3 ))
ASSI { 330}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.500 1.500 1.500 peak 330 weight 0.10000E+01 volume 0.12938E-02 ppm1 8.919 ppm2 1.875 CV 1
ASSI { 332}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 17 and name HG1%)
2.900 1.000 1.000 peak 332 weight 0.10000E+01 volume 0.53168E-02 ppm1 8.918 ppm2 0.830 CV 1
ASSI { 333}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 17 and name HG2%)
2.900 1.100 1.100 peak 333 weight 0.10000E+01 volume 0.21582E-02 ppm1 8.919 ppm2 0.549 CV 1
ASSI { 336}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 22 and name HD% )
4.200 2.200 1.800 peak 336 weight 0.10000E+01 volume 0.33408E-03 ppm1 8.806 ppm2 7.005 CV 1
ASSI { 340}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
3.300 1.400 1.400 peak 340 weight 0.10000E+01 volume 0.10896E-02 ppm1 8.804 ppm2 4.403 CV 1
ASSI { 341}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB2 ))
4.000 2.000 2.000 peak 341 weight 0.10000E+01 volume 0.95725E-03 ppm1 8.801 ppm2 2.800 CV 1
ASSI { 352}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HN ))
4.600 2.600 1.400 peak 352 weight 0.10000E+01 volume 0.42205E-03 ppm1 9.079 ppm2 7.920 CV 1
ASSI { 353}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 36 and name HN ))
4.200 2.200 1.800 peak 353 weight 0.10000E+01 volume 0.48577E-03 ppm1 9.073 ppm2 8.417 CV 1
ASSI { 358}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HA ))
2.100 0.600 0.600 peak 358 weight 0.10000E+01 volume 0.11337E-01 ppm1 8.982 ppm2 4.869 CV 1
ASSI { 359}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 59 and name HA ))
3.500 1.500 1.500 peak 359 weight 0.10000E+01 volume 0.12161E-02 ppm1 8.982 ppm2 4.618 CV 1
ASSI { 360}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 57 and name HA2 ))
4.200 2.200 1.800 peak 360 weight 0.10000E+01 volume 0.32008E-03 ppm1 8.977 ppm2 3.781 CV 1
ASSI { 361}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HG3 ))
3.100 1.200 1.200 peak 361 weight 0.10000E+01 volume 0.20336E-02 ppm1 8.983 ppm2 2.101 CV 1
OR { 361}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HG2 ))
ASSI { 362}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB2 ))
3.100 1.200 1.200 peak 362 weight 0.10000E+01 volume 0.35736E-02 ppm1 8.982 ppm2 1.857 CV 1
ASSI { 363}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB ))
3.600 1.600 1.600 peak 363 weight 0.10000E+01 volume 0.11624E-02 ppm1 8.982 ppm2 1.516 CV 1
ASSI { 365}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 46 and name HG2%)
4.100 2.100 1.900 peak 365 weight 0.10000E+01 volume 0.40873E-03 ppm1 8.979 ppm2 0.981 CV 1
ASSI { 366}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 43 and name HG2%)
3.000 1.200 1.200 peak 366 weight 0.10000E+01 volume 0.35449E-02 ppm1 8.982 ppm2 0.548 CV 1
ASSI { 367}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 43 and name HG1%)
3.300 1.400 1.400 peak 367 weight 0.10000E+01 volume 0.12085E-02 ppm1 8.984 ppm2 0.401 CV 1
ASSI { 376}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 63 and name HA ))
4.200 2.200 1.800 peak 376 weight 0.10000E+01 volume 0.38679E-03 ppm1 9.115 ppm2 4.213 CV 1
ASSI { 377}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 43 and name HG1%)
3.900 1.900 1.900 peak 377 weight 0.10000E+01 volume 0.49901E-03 ppm1 9.115 ppm2 0.388 CV 1
ASSI { 382}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HA ))
2.100 0.600 0.600 peak 382 weight 0.10000E+01 volume 0.10254E-01 ppm1 9.113 ppm2 5.383 CV 1
ASSI { 383}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HA ))
2.900 1.000 1.000 peak 383 weight 0.10000E+01 volume 0.22550E-02 ppm1 9.111 ppm2 4.608 CV 1
ASSI { 384}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 62 and name HB ))
4.300 2.400 1.700 peak 384 weight 0.10000E+01 volume 0.33081E-03 ppm1 9.108 ppm2 4.365 CV 1
OR { 384}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 62 and name HA ))
ASSI { 385}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB3 ))
2.600 0.800 0.800 peak 385 weight 0.10000E+01 volume 0.37490E-02 ppm1 9.114 ppm2 3.460 CV 1
ASSI { 386}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB2 ))
2.800 1.000 1.000 peak 386 weight 0.10000E+01 volume 0.33522E-02 ppm1 9.113 ppm2 2.423 CV 1
ASSI { 387}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HB2 ))
3.900 1.900 1.900 peak 387 weight 0.10000E+01 volume 0.10790E-02 ppm1 9.112 ppm2 1.501 CV 1
ASSI { 388}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HG3 ))
3.500 1.500 1.500 peak 388 weight 0.10000E+01 volume 0.15707E-02 ppm1 9.113 ppm2 1.264 CV 1
ASSI { 389}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HG2 ))
3.000 1.100 1.100 peak 389 weight 0.10000E+01 volume 0.14366E-02 ppm1 9.113 ppm2 1.001 CV 1
ASSI { 392}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 43 and name HG2%)
3.900 1.900 1.900 peak 392 weight 0.10000E+01 volume 0.54328E-03 ppm1 9.109 ppm2 0.553 CV 1
ASSI { 393}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HZ ))
4.000 2.000 2.000 peak 393 weight 0.10000E+01 volume 0.71980E-03 ppm1 9.070 ppm2 7.780 CV 1
ASSI { 394}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 34 and name HD% )
3.200 1.300 1.300 peak 394 weight 0.10000E+01 volume 0.12621E-02 ppm1 9.074 ppm2 7.172 CV 1
ASSI { 395}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 34 and name HE% )
3.600 1.600 1.600 peak 395 weight 0.10000E+01 volume 0.12190E-02 ppm1 9.072 ppm2 7.015 CV 1
ASSI { 396}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HA ))
2.400 0.700 0.700 peak 396 weight 0.10000E+01 volume 0.61256E-02 ppm1 9.071 ppm2 5.803 CV 1
ASSI { 397}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HA ))
3.000 1.100 1.100 peak 397 weight 0.10000E+01 volume 0.18620E-02 ppm1 9.075 ppm2 4.564 CV 1
ASSI { 398}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 66 and name HA1 ))
4.600 2.600 1.400 peak 398 weight 0.10000E+01 volume 0.44831E-03 ppm1 9.074 ppm2 4.249 CV 1
ASSI { 399}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 66 and name HA2 ))
3.600 1.600 1.600 peak 399 weight 0.10000E+01 volume 0.71692E-03 ppm1 9.071 ppm2 4.062 CV 1
ASSI { 400}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB3 ))
3.400 1.500 1.500 peak 400 weight 0.10000E+01 volume 0.25022E-02 ppm1 9.072 ppm2 3.885 CV 1
ASSI { 401}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB2 ))
3.400 1.400 1.400 peak 401 weight 0.10000E+01 volume 0.13215E-02 ppm1 9.073 ppm2 3.145 CV 1
ASSI { 403}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB2 ))
2.900 1.100 1.100 peak 403 weight 0.10000E+01 volume 0.33282E-02 ppm1 9.074 ppm2 1.945 CV 1
ASSI { 405}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB3 ))
2.700 0.900 0.900 peak 405 weight 0.10000E+01 volume 0.26086E-02 ppm1 9.072 ppm2 0.909 CV 1
ASSI { 421}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 59 and name HD22))
4.400 2.400 1.600 peak 421 weight 0.10000E+01 volume 0.30111E-03 ppm1 9.337 ppm2 8.248 CV 1
ASSI { 423}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 21 and name HN ))
2.900 1.000 1.000 peak 423 weight 0.10000E+01 volume 0.22722E-02 ppm1 9.331 ppm2 8.491 CV 1
ASSI { 427}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HA ))
2.100 0.600 0.600 peak 427 weight 0.10000E+01 volume 0.11356E-01 ppm1 9.329 ppm2 4.576 CV 1
ASSI { 428}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 20 and name HA ))
4.400 2.400 1.600 peak 428 weight 0.10000E+01 volume 0.39464E-03 ppm1 9.328 ppm2 3.918 CV 1
ASSI { 430}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 21 and name HB2 ))
3.800 1.800 1.800 peak 430 weight 0.10000E+01 volume 0.60135E-03 ppm1 9.329 ppm2 3.090 CV 1
ASSI { 431}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 21 and name HB3 ))
3.200 1.300 1.300 peak 431 weight 0.10000E+01 volume 0.13331E-02 ppm1 9.329 ppm2 2.826 CV 1
ASSI { 432}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HG ))
3.000 1.100 1.100 peak 432 weight 0.10000E+01 volume 0.20585E-02 ppm1 9.329 ppm2 2.015 CV 1
ASSI { 434}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB2 ))
3.600 1.600 1.600 peak 434 weight 0.10000E+01 volume 0.15161E-02 ppm1 9.329 ppm2 1.508 CV 1
ASSI { 435}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 37 and name HD1%)
3.500 1.500 1.500 peak 435 weight 0.10000E+01 volume 0.10264E-02 ppm1 9.331 ppm2 0.486 CV 1
ASSI { 436}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 37 and name HD2%)
3.500 1.500 1.500 peak 436 weight 0.10000E+01 volume 0.11797E-02 ppm1 9.328 ppm2 0.356 CV 1
ASSI { 444}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HA ))
2.200 0.600 0.600 peak 444 weight 0.10000E+01 volume 0.77855E-02 ppm1 8.636 ppm2 4.811 CV 1
ASSI { 445}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 13 and name HD2 ))
3.500 1.500 1.500 peak 445 weight 0.10000E+01 volume 0.37433E-03 ppm1 8.639 ppm2 3.527 CV 1
ASSI { 446}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 13 and name HB2 ))
2.800 1.000 1.000 peak 446 weight 0.10000E+01 volume 0.13081E-02 ppm1 8.638 ppm2 1.920 CV 1
ASSI { 447}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HG ))
2.200 0.600 0.600 peak 447 weight 0.10000E+01 volume 0.64937E-02 ppm1 8.637 ppm2 1.607 CV 1
ASSI { 448}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB2 ))
3.300 1.400 1.400 peak 448 weight 0.10000E+01 volume 0.16991E-02 ppm1 8.637 ppm2 1.115 CV 1
ASSI { 465}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HA ))
3.000 1.100 1.100 peak 465 weight 0.10000E+01 volume 0.16780E-02 ppm1 8.637 ppm2 4.454 CV 1
ASSI { 467}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 45 and name HD1%)
3.700 1.800 1.800 peak 467 weight 0.10000E+01 volume 0.13675E-02 ppm1 8.637 ppm2 0.830 CV 1
ASSI { 468}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 45 and name HD2%)
4.100 2.100 1.900 peak 468 weight 0.10000E+01 volume 0.98610E-03 ppm1 8.636 ppm2 0.473 CV 1
ASSI { 469}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 23 and name HN ))
4.000 2.000 2.000 peak 469 weight 0.10000E+01 volume 0.43585E-03 ppm1 8.428 ppm2 4.406 CV 1
ASSI { 482}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 37 and name HN ))
4.200 2.200 1.800 peak 482 weight 0.10000E+01 volume 0.74165E-03 ppm1 8.431 ppm2 9.318 CV 1
ASSI { 488}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 34 and name HD% )
3.300 1.400 1.400 peak 488 weight 0.10000E+01 volume 0.13387E-02 ppm1 8.432 ppm2 7.180 CV 1
ASSI { 490}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HD3 ))
4.300 2.400 1.700 peak 490 weight 0.10000E+01 volume 0.58938E-03 ppm1 8.432 ppm2 3.350 CV 1
OR { 490}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HD2 ))
ASSI { 491}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB3 ))
2.200 0.600 0.600 peak 491 weight 0.10000E+01 volume 0.12065E-01 ppm1 8.431 ppm2 1.865 CV 1
OR { 491}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB2 ))
ASSI { 492}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HG2 ))
3.800 1.800 1.800 peak 492 weight 0.10000E+01 volume 0.97176E-03 ppm1 8.429 ppm2 1.570 CV 1
ASSI { 493}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HG ))
3.200 1.300 1.300 peak 493 weight 0.10000E+01 volume 0.14039E-02 ppm1 8.429 ppm2 1.376 CV 1
ASSI { 494}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 35 and name HD2%)
3.100 1.200 1.200 peak 494 weight 0.10000E+01 volume 0.54520E-02 ppm1 8.431 ppm2 0.830 CV 1
ASSI { 495}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 37 and name HD2%)
4.200 2.200 1.800 peak 495 weight 0.10000E+01 volume 0.43527E-03 ppm1 8.430 ppm2 0.345 CV 1
ASSI { 505}
(( segid " " and resid 76 and name HN ))
( segid " " and resid 76 and name HD% )
4.300 2.300 1.700 peak 505 weight 0.10000E+01 volume 0.71243E-03 ppm1 8.558 ppm2 7.014 CV 1
ASSI { 506}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HG2 ))
3.600 1.600 1.600 peak 506 weight 0.10000E+01 volume 0.32430E-03 ppm1 8.557 ppm2 2.211 CV 1
ASSI { 507}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 16 and name HN ))
3.700 1.700 1.700 peak 507 weight 0.10000E+01 volume 0.85732E-03 ppm1 8.553 ppm2 9.546 CV 1
ASSI { 509}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 15 and name HA ))
2.300 0.700 0.700 peak 509 weight 0.10000E+01 volume 0.36733E-02 ppm1 8.553 ppm2 5.200 CV 1
ASSI { 510}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HA ))
2.100 0.600 0.600 peak 510 weight 0.10000E+01 volume 0.80624E-02 ppm1 8.553 ppm2 4.942 CV 1
ASSI { 511}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB2 ))
2.400 0.700 0.700 peak 511 weight 0.10000E+01 volume 0.40738E-02 ppm1 8.553 ppm2 2.781 CV 1
ASSI { 512}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HB3 ))
3.400 1.500 1.500 peak 512 weight 0.10000E+01 volume 0.13762E-02 ppm1 8.552 ppm2 2.403 CV 1
ASSI { 513}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 16 and name HG2 ))
4.300 2.300 1.700 peak 513 weight 0.10000E+01 volume 0.57605E-03 ppm1 8.550 ppm2 2.050 CV 1
ASSI { 514}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 15 and name HB3 ))
4.000 2.000 2.000 peak 514 weight 0.10000E+01 volume 0.18132E-02 ppm1 8.550 ppm2 1.864 CV 1
ASSI { 515}
(( segid " " and resid 76 and name HN ))
( segid " " and resid 77 and name HG1%)
4.400 2.400 1.600 peak 515 weight 0.10000E+01 volume 0.35056E-03 ppm1 8.550 ppm2 0.762 CV 1
ASSI { 523}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HA ))
2.800 1.000 1.000 peak 523 weight 0.10000E+01 volume 0.24390E-02 ppm1 8.554 ppm2 4.813 CV 1
ASSI { 534}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 59 and name HB2 ))
3.800 1.800 1.800 peak 534 weight 0.10000E+01 volume 0.41199E-03 ppm1 8.749 ppm2 2.423 CV 1
ASSI { 536}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 68 and name HN ))
2.900 1.000 1.000 peak 536 weight 0.10000E+01 volume 0.23125E-02 ppm1 8.652 ppm2 9.453 CV 1
ASSI { 540}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HE3 ))
3.500 1.500 1.500 peak 540 weight 0.10000E+01 volume 0.71903E-03 ppm1 8.657 ppm2 6.981 CV 1
ASSI { 541}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 67 and name HA ))
4.200 2.200 1.800 peak 541 weight 0.10000E+01 volume 0.52660E-03 ppm1 8.654 ppm2 5.863 CV 1
ASSI { 542}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HA ))
2.900 1.100 1.100 peak 542 weight 0.10000E+01 volume 0.20067E-02 ppm1 8.655 ppm2 5.230 CV 1
ASSI { 543}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HA ))
2.300 0.600 0.600 peak 543 weight 0.10000E+01 volume 0.80778E-02 ppm1 8.653 ppm2 4.682 CV 1
ASSI { 544}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 69 and name HA ))
3.400 1.400 1.400 peak 544 weight 0.10000E+01 volume 0.10618E-02 ppm1 8.655 ppm2 3.675 CV 1
ASSI { 545}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 70 and name HA ))
4.600 2.600 1.400 peak 545 weight 0.10000E+01 volume 0.31434E-03 ppm1 8.655 ppm2 3.367 CV 1
ASSI { 546}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB3 ))
3.700 1.700 1.700 peak 546 weight 0.10000E+01 volume 0.14318E-02 ppm1 8.653 ppm2 3.023 CV 1
ASSI { 547}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HB3 ))
2.900 1.100 1.100 peak 547 weight 0.10000E+01 volume 0.17787E-02 ppm1 8.655 ppm2 2.832 CV 1
ASSI { 548}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB2 ))
3.600 1.600 1.600 peak 548 weight 0.10000E+01 volume 0.83193E-03 ppm1 8.655 ppm2 2.583 CV 1
ASSI { 549}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HB2 ))
3.300 1.300 1.300 peak 549 weight 0.10000E+01 volume 0.30091E-02 ppm1 8.653 ppm2 2.056 CV 1
ASSI { 569}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 64 and name HN ))
4.700 2.800 1.300 peak 569 weight 0.10000E+01 volume 0.31002E-03 ppm1 8.752 ppm2 7.482 CV 1
ASSI { 570}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 59 and name HD21))
4.100 2.100 1.900 peak 570 weight 0.10000E+01 volume 0.38477E-03 ppm1 8.756 ppm2 7.181 CV 1
ASSI { 571}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 62 and name HN ))
2.300 0.700 0.700 peak 571 weight 0.10000E+01 volume 0.79915E-02 ppm1 8.755 ppm2 6.999 CV 1
ASSI { 573}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 59 and name HA ))
3.800 1.800 1.800 peak 573 weight 0.10000E+01 volume 0.13196E-02 ppm1 8.755 ppm2 4.620 CV 1
ASSI { 574}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HA ))
2.600 0.800 0.800 peak 574 weight 0.10000E+01 volume 0.56896E-02 ppm1 8.755 ppm2 4.407 CV 1
ASSI { 575}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HA ))
3.200 1.200 1.200 peak 575 weight 0.10000E+01 volume 0.16915E-02 ppm1 8.755 ppm2 4.092 CV 1
ASSI { 576}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 59 and name HB3 ))
4.400 2.400 1.600 peak 576 weight 0.10000E+01 volume 0.45837E-03 ppm1 8.755 ppm2 3.455 CV 1
ASSI { 577}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 41 and name HB3 ))
3.200 1.300 1.300 peak 577 weight 0.10000E+01 volume 0.62004E-03 ppm1 8.756 ppm2 2.691 CV 1
OR { 577}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 41 and name HB2 ))
ASSI { 578}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 61 and name HB% )
2.200 0.600 0.600 peak 578 weight 0.10000E+01 volume 0.11730E-01 ppm1 8.755 ppm2 1.539 CV 1
ASSI { 580}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 60 and name HG2%)
3.900 1.900 1.900 peak 580 weight 0.10000E+01 volume 0.99286E-03 ppm1 8.754 ppm2 1.251 CV 1
ASSI { 596}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 74 and name HN ))
4.500 2.500 1.500 peak 596 weight 0.10000E+01 volume 0.38343E-03 ppm1 7.194 ppm2 9.029 CV 1
ASSI { 597}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
2.200 0.600 0.600 peak 597 weight 0.10000E+01 volume 0.10647E-01 ppm1 7.199 ppm2 8.793 CV 1
ASSI { 599}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 18 and name HD% )
4.300 2.300 1.700 peak 599 weight 0.10000E+01 volume 0.40710E-03 ppm1 7.194 ppm2 6.881 CV 1
ASSI { 600}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 73 and name HA ))
3.500 1.500 1.500 peak 600 weight 0.10000E+01 volume 0.10417E-02 ppm1 7.197 ppm2 5.335 CV 1
ASSI { 601}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
3.200 1.300 1.300 peak 601 weight 0.10000E+01 volume 0.14893E-02 ppm1 7.200 ppm2 5.052 CV 1
ASSI { 602}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.800 1.000 1.000 peak 602 weight 0.10000E+01 volume 0.28951E-02 ppm1 7.200 ppm2 4.408 CV 1
ASSI { 603}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 17 and name HA ))
3.500 1.500 1.500 peak 603 weight 0.10000E+01 volume 0.31155E-02 ppm1 7.199 ppm2 3.955 CV 1
ASSI { 604}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 39 and name HA ))
4.000 2.000 2.000 peak 604 weight 0.10000E+01 volume 0.46162E-03 ppm1 7.199 ppm2 3.630 CV 1
OR { 604}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 39 and name HD3 ))
ASSI { 605}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB3 ))
3.800 1.800 1.800 peak 605 weight 0.10000E+01 volume 0.66144E-03 ppm1 7.200 ppm2 3.198 CV 1
ASSI { 606}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 72 and name HD3 ))
4.300 2.300 1.700 peak 606 weight 0.10000E+01 volume 0.29449E-03 ppm1 7.190 ppm2 2.775 CV 1
ASSI { 607}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.200 1.300 1.300 peak 607 weight 0.10000E+01 volume 0.19694E-02 ppm1 7.198 ppm2 2.543 CV 1
ASSI { 608}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 73 and name HB ))
4.500 2.600 1.500 peak 608 weight 0.10000E+01 volume 0.40911E-03 ppm1 7.197 ppm2 2.063 CV 1
ASSI { 609}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB3 ))
2.700 0.900 0.900 peak 609 weight 0.10000E+01 volume 0.34528E-02 ppm1 7.200 ppm2 1.512 CV 1
ASSI { 610}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 17 and name HG1%)
3.900 1.900 1.900 peak 610 weight 0.10000E+01 volume 0.48808E-03 ppm1 7.200 ppm2 0.826 CV 1
ASSI { 625}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 74 and name HN ))
2.800 1.000 1.000 peak 625 weight 0.10000E+01 volume 0.26699E-02 ppm1 9.540 ppm2 8.999 CV 1
ASSI { 627}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 74 and name HD2 ))
3.600 1.600 1.600 peak 627 weight 0.10000E+01 volume 0.67073E-03 ppm1 9.532 ppm2 7.118 CV 1
ASSI { 628}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 76 and name HD% )
4.300 2.400 1.700 peak 628 weight 0.10000E+01 volume 0.39215E-03 ppm1 9.542 ppm2 7.022 CV 1
ASSI { 629}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 73 and name HA ))
4.100 2.100 1.900 peak 629 weight 0.10000E+01 volume 0.75143E-03 ppm1 9.542 ppm2 5.333 CV 1
ASSI { 630}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
2.200 0.600 0.600 peak 630 weight 0.10000E+01 volume 0.77213E-02 ppm1 9.540 ppm2 5.197 CV 1
ASSI { 631}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 75 and name HA ))
3.700 1.700 1.700 peak 631 weight 0.10000E+01 volume 0.10322E-02 ppm1 9.539 ppm2 4.938 CV 1
ASSI { 632}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 76 and name HA ))
3.800 1.800 1.800 peak 632 weight 0.10000E+01 volume 0.56935E-03 ppm1 9.538 ppm2 4.812 CV 1
ASSI { 634}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HG3 ))
5.000 3.200 1.000 peak 634 weight 0.10000E+01 volume 0.37231E-03 ppm1 9.539 ppm2 2.442 CV 1
ASSI { 635}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB3 ))
2.600 0.800 0.800 peak 635 weight 0.10000E+01 volume 0.47811E-02 ppm1 9.541 ppm2 2.024 CV 1
OR { 635}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG3 ))
ASSI { 637}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB2 ))
3.100 1.200 1.200 peak 637 weight 0.10000E+01 volume 0.15640E-02 ppm1 9.541 ppm2 1.708 CV 1
ASSI { 638}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 73 and name HG2%)
4.100 2.100 1.900 peak 638 weight 0.10000E+01 volume 0.50178E-03 ppm1 9.540 ppm2 1.162 CV 1
ASSI { 639}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 42 and name HD1%)
4.400 2.400 1.600 peak 639 weight 0.10000E+01 volume 0.34586E-03 ppm1 9.541 ppm2 0.301 CV 1
ASSI { 673}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 17 and name HA ))
4.400 2.400 1.600 peak 673 weight 0.10000E+01 volume 0.30964E-03 ppm1 8.141 ppm2 3.946 CV 1
ASSI { 674}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 674 weight 0.10000E+01 volume 0.14250E-02 ppm1 8.135 ppm2 8.929 CV 1
ASSI { 675}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HN ))
2.300 0.700 0.700 peak 675 weight 0.10000E+01 volume 0.52498E-02 ppm1 8.134 ppm2 8.789 CV 1
ASSI { 676}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HN ))
3.900 1.900 1.900 peak 676 weight 0.10000E+01 volume 0.10839E-02 ppm1 8.133 ppm2 8.495 CV 1
ASSI { 678}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 16 and name HA ))
3.900 1.900 1.900 peak 678 weight 0.10000E+01 volume 0.61947E-03 ppm1 8.136 ppm2 5.077 CV 1
ASSI { 679}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HA ))
2.500 0.800 0.800 peak 679 weight 0.10000E+01 volume 0.55180E-02 ppm1 8.135 ppm2 4.427 CV 1
ASSI { 680}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 39 and name HA ))
3.600 1.600 1.600 peak 680 weight 0.10000E+01 volume 0.36014E-02 ppm1 8.134 ppm2 3.660 CV 1
ASSI { 681}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HB2 ))
2.300 0.700 0.700 peak 681 weight 0.10000E+01 volume 0.82014E-02 ppm1 8.135 ppm2 2.675 CV 1
OR { 681}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HB3 ))
ASSI { 682}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 17 and name HB ))
2.500 0.800 0.800 peak 682 weight 0.10000E+01 volume 0.62368E-02 ppm1 8.134 ppm2 2.183 CV 1
ASSI { 683}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 16 and name HB3 ))
4.100 2.100 1.900 peak 683 weight 0.10000E+01 volume 0.56829E-03 ppm1 8.137 ppm2 2.009 CV 1
OR { 683}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 16 and name HG3 ))
ASSI { 685}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 17 and name HG1%)
3.400 1.400 1.400 peak 685 weight 0.10000E+01 volume 0.25386E-02 ppm1 8.134 ppm2 0.832 CV 1
ASSI { 688}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HN ))
3.600 1.600 1.600 peak 688 weight 0.10000E+01 volume 0.59646E-03 ppm1 8.026 ppm2 8.256 CV 1
ASSI { 691}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
2.900 1.000 1.000 peak 691 weight 0.10000E+01 volume 0.20585E-02 ppm1 8.026 ppm2 4.575 CV 1
ASSI { 692}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA1 ))
2.700 0.900 0.900 peak 692 weight 0.10000E+01 volume 0.56177E-02 ppm1 8.026 ppm2 3.914 CV 1
OR { 692}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA2 ))
ASSI { 693}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB2 ))
2.200 0.600 0.600 peak 693 weight 0.10000E+01 volume 0.73542E-02 ppm1 8.026 ppm2 1.551 CV 1
ASSI { 694}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 12 and name HD2%)
3.800 1.800 1.800 peak 694 weight 0.10000E+01 volume 0.12008E-02 ppm1 8.025 ppm2 0.822 CV 1
ASSI { 695}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 12 and name HD1%)
3.700 1.700 1.700 peak 695 weight 0.10000E+01 volume 0.12832E-02 ppm1 8.026 ppm2 0.704 CV 1
ASSI { 704}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 57 and name HN ))
4.300 2.300 1.700 peak 704 weight 0.10000E+01 volume 0.30312E-03 ppm1 7.502 ppm2 8.662 CV 1
ASSI { 706}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HN ))
2.300 0.700 0.700 peak 706 weight 0.10000E+01 volume 0.88636E-02 ppm1 7.497 ppm2 8.998 CV 1
ASSI { 707}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 56 and name HN ))
3.000 1.100 1.100 peak 707 weight 0.10000E+01 volume 0.22837E-02 ppm1 7.497 ppm2 8.466 CV 1
ASSI { 711}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 55 and name HA ))
4.700 2.800 1.300 peak 711 weight 0.10000E+01 volume 0.32641E-03 ppm1 7.495 ppm2 5.243 CV 1
ASSI { 713}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 45 and name HA ))
3.700 1.700 1.700 peak 713 weight 0.10000E+01 volume 0.20901E-02 ppm1 7.498 ppm2 4.452 CV 1
ASSI { 715}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB ))
3.500 1.600 1.600 peak 715 weight 0.10000E+01 volume 0.81362E-03 ppm1 7.498 ppm2 4.029 CV 1
ASSI { 716}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 57 and name HA2 ))
4.300 2.300 1.700 peak 716 weight 0.10000E+01 volume 0.57951E-03 ppm1 7.499 ppm2 3.781 CV 1
ASSI { 717}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB2 ))
3.100 1.200 1.200 peak 717 weight 0.10000E+01 volume 0.14672E-02 ppm1 7.496 ppm2 1.792 CV 1
ASSI { 718}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB3 ))
3.100 1.200 1.200 peak 718 weight 0.10000E+01 volume 0.23258E-02 ppm1 7.497 ppm2 1.569 CV 1
ASSI { 719}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HD2 ))
3.700 1.700 1.700 peak 719 weight 0.10000E+01 volume 0.12717E-02 ppm1 7.495 ppm2 1.374 CV 1
OR { 719}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HD3 ))
ASSI { 720}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 56 and name HB2 ))
3.300 1.400 1.400 peak 720 weight 0.10000E+01 volume 0.25501E-02 ppm1 7.497 ppm2 1.213 CV 1
ASSI { 721}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 46 and name HG2%)
3.800 1.800 1.800 peak 721 weight 0.10000E+01 volume 0.92408E-03 ppm1 7.497 ppm2 0.976 CV 1
ASSI { 724}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 48 and name HB% )
4.400 2.400 1.600 peak 724 weight 0.10000E+01 volume 0.35544E-03 ppm1 7.498 ppm2 0.250 CV 1
ASSI { 725}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 56 and name HB3 ))
3.000 1.100 1.100 peak 725 weight 0.10000E+01 volume 0.14815E-02 ppm1 7.498 ppm2 -0.801 CV 1
ASSI { 736}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 12 and name HA ))
4.200 2.200 1.800 peak 736 weight 0.10000E+01 volume 0.48099E-03 ppm1 8.259 ppm2 4.606 CV 1
ASSI { 737}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB2 ))
4.300 2.300 1.700 peak 737 weight 0.10000E+01 volume 0.39263E-03 ppm1 8.258 ppm2 2.076 CV 1
ASSI { 742}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
2.600 0.900 0.900 peak 742 weight 0.10000E+01 volume 0.38477E-02 ppm1 8.253 ppm2 4.300 CV 1
ASSI { 743}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB3 ))
4.100 2.100 1.900 peak 743 weight 0.10000E+01 volume 0.37739E-03 ppm1 8.250 ppm2 1.943 CV 1
ASSI { 744}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG ))
2.800 1.000 1.000 peak 744 weight 0.10000E+01 volume 0.26852E-02 ppm1 8.252 ppm2 1.658 CV 1
ASSI { 745}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 10 and name HD1%)
4.300 2.300 1.700 peak 745 weight 0.10000E+01 volume 0.64170E-03 ppm1 8.248 ppm2 0.855 CV 1
ASSI { 746}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HD2 ))
4.400 2.500 1.600 peak 746 weight 0.10000E+01 volume 0.42118E-03 ppm1 8.024 ppm2 3.524 CV 1
ASSI { 758}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 52 and name HD2 ))
4.700 2.800 1.300 peak 758 weight 0.10000E+01 volume 0.30139E-03 ppm1 8.340 ppm2 7.146 CV 1
ASSI { 762}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HB2 ))
3.500 1.500 1.500 peak 762 weight 0.10000E+01 volume 0.68693E-03 ppm1 8.302 ppm2 1.797 CV 1
ASSI { 775}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HN ))
4.000 2.000 2.000 peak 775 weight 0.10000E+01 volume 0.73140E-03 ppm1 8.468 ppm2 8.637 CV 1
ASSI { 777}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HE3 ))
4.600 2.600 1.400 peak 777 weight 0.10000E+01 volume 0.51587E-03 ppm1 8.456 ppm2 6.979 CV 1
ASSI { 778}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 48 and name HA ))
3.800 1.800 1.800 peak 778 weight 0.10000E+01 volume 0.54414E-03 ppm1 8.463 ppm2 4.045 CV 1
ASSI { 781}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HB2 ))
3.200 1.300 1.300 peak 781 weight 0.10000E+01 volume 0.11146E-02 ppm1 8.457 ppm2 1.221 CV 1
ASSI { 782}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HB3 ))
3.200 1.300 1.300 peak 782 weight 0.10000E+01 volume 0.13369E-02 ppm1 8.455 ppm2 -0.802 CV 1
ASSI { 785}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 55 and name HD1 ))
3.300 1.400 1.400 peak 785 weight 0.10000E+01 volume 0.10724E-02 ppm1 8.347 ppm2 7.285 CV 1
ASSI { 786}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 55 and name HA ))
4.400 2.400 1.600 peak 786 weight 0.10000E+01 volume 0.31625E-03 ppm1 8.348 ppm2 5.237 CV 1
ASSI { 787}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 52 and name HB2 ))
3.900 1.900 1.900 peak 787 weight 0.10000E+01 volume 0.72095E-03 ppm1 8.348 ppm2 3.529 CV 1
OR { 787}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 52 and name HB3 ))
ASSI { 788}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 48 and name HB% )
3.300 1.300 1.300 peak 788 weight 0.10000E+01 volume 0.16435E-02 ppm1 8.347 ppm2 0.250 CV 1
ASSI { 790}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HA ))
2.900 1.100 1.100 peak 790 weight 0.10000E+01 volume 0.22214E-02 ppm1 8.345 ppm2 4.398 CV 1
ASSI { 792}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HA ))
2.400 0.700 0.700 peak 792 weight 0.10000E+01 volume 0.60892E-02 ppm1 8.346 ppm2 4.052 CV 1
ASSI { 793}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HG2 ))
3.100 1.200 1.200 peak 793 weight 0.10000E+01 volume 0.27504E-02 ppm1 8.346 ppm2 2.241 CV 1
OR { 793}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HG3 ))
ASSI { 794}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HB2 ))
2.800 1.000 1.000 peak 794 weight 0.10000E+01 volume 0.19589E-02 ppm1 8.344 ppm2 2.016 CV 1
ASSI { 795}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HB3 ))
3.300 1.300 1.300 peak 795 weight 0.10000E+01 volume 0.31136E-02 ppm1 8.346 ppm2 1.715 CV 1
ASSI { 796}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 50 and name HB% )
4.500 2.500 1.500 peak 796 weight 0.10000E+01 volume 0.34298E-03 ppm1 8.341 ppm2 1.375 CV 1
ASSI { 798}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
3.900 1.900 1.900 peak 798 weight 0.10000E+01 volume 0.48386E-03 ppm1 8.154 ppm2 4.598 CV 1
ASSI { 800}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
3.900 1.900 1.900 peak 800 weight 0.10000E+01 volume 0.46402E-03 ppm1 8.149 ppm2 4.298 CV 1
ASSI { 805}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 71 and name HD21))
4.100 2.100 1.900 peak 805 weight 0.10000E+01 volume 0.46115E-03 ppm1 7.556 ppm2 7.325 CV 1
ASSI { 807}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HA ))
2.100 0.500 0.500 peak 807 weight 0.10000E+01 volume 0.11059E-01 ppm1 7.554 ppm2 3.674 CV 1
ASSI { 809}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HA ))
2.700 0.900 0.900 peak 809 weight 0.10000E+01 volume 0.33388E-02 ppm1 7.553 ppm2 3.373 CV 1
ASSI { 811}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HB2 ))
3.600 1.600 1.600 peak 811 weight 0.10000E+01 volume 0.11117E-02 ppm1 7.553 ppm2 1.489 CV 1
ASSI { 812}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HB3 ))
3.500 1.600 1.600 peak 812 weight 0.10000E+01 volume 0.17461E-02 ppm1 7.555 ppm2 1.239 CV 1
ASSI { 813}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HB2 ))
3.000 1.100 1.100 peak 813 weight 0.10000E+01 volume 0.22635E-02 ppm1 7.554 ppm2 0.885 CV 1
ASSI { 814}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HB3 ))
2.700 0.900 0.900 peak 814 weight 0.10000E+01 volume 0.25118E-02 ppm1 7.554 ppm2 0.638 CV 1
ASSI { 815}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 55 and name HN ))
3.800 1.800 1.800 peak 815 weight 0.10000E+01 volume 0.81122E-03 ppm1 7.551 ppm2 8.645 CV 1
ASSI { 816}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 68 and name HD% )
4.000 2.000 2.000 peak 816 weight 0.10000E+01 volume 0.35966E-03 ppm1 7.552 ppm2 7.012 CV 1
ASSI { 827}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HD1 ))
4.100 2.100 1.900 peak 827 weight 0.10000E+01 volume 0.52670E-03 ppm1 8.453 ppm2 7.304 CV 1
ASSI { 828}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HA ))
2.600 0.800 0.800 peak 828 weight 0.10000E+01 volume 0.37538E-02 ppm1 8.456 ppm2 5.228 CV 1
ASSI { 829}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HA ))
3.200 1.300 1.300 peak 829 weight 0.10000E+01 volume 0.12056E-02 ppm1 8.455 ppm2 4.310 CV 1
ASSI { 830}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB3 ))
3.700 1.700 1.700 peak 830 weight 0.10000E+01 volume 0.17039E-02 ppm1 8.453 ppm2 2.832 CV 1
ASSI { 831}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB2 ))
3.400 1.400 1.400 peak 831 weight 0.10000E+01 volume 0.10935E-02 ppm1 8.452 ppm2 2.060 CV 1
ASSI { 832}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 47 and name HB2 ))
4.100 2.100 1.900 peak 832 weight 0.10000E+01 volume 0.62982E-03 ppm1 8.460 ppm2 1.794 CV 1
ASSI { 835}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HG2 ))
5.000 3.100 1.000 peak 835 weight 0.10000E+01 volume 0.29516E-03 ppm1 8.448 ppm2 0.553 CV 1
ASSI { 853}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HN ))
4.200 2.300 1.800 peak 853 weight 0.10000E+01 volume 0.54845E-03 ppm1 8.585 ppm2 9.340 CV 1
ASSI { 856}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HD21))
3.000 1.100 1.100 peak 856 weight 0.10000E+01 volume 0.18314E-02 ppm1 8.584 ppm2 8.421 CV 1
ASSI { 857}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 59 and name HD22))
3.600 1.600 1.600 peak 857 weight 0.10000E+01 volume 0.15123E-02 ppm1 8.588 ppm2 8.264 CV 1
ASSI { 858}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 41 and name HN ))
4.000 2.000 2.000 peak 858 weight 0.10000E+01 volume 0.43000E-03 ppm1 8.584 ppm2 8.123 CV 1
ASSI { 859}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 59 and name HD21))
3.400 1.500 1.500 peak 859 weight 0.10000E+01 volume 0.98610E-03 ppm1 8.588 ppm2 7.202 CV 1
ASSI { 860}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HD22))
4.600 2.700 1.400 peak 860 weight 0.10000E+01 volume 0.50820E-03 ppm1 8.588 ppm2 6.993 CV 1
ASSI { 861}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HA ))
2.800 1.000 1.000 peak 861 weight 0.10000E+01 volume 0.25377E-02 ppm1 8.588 ppm2 5.252 CV 1
ASSI { 862}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HA ))
2.200 0.600 0.600 peak 862 weight 0.10000E+01 volume 0.11394E-01 ppm1 8.587 ppm2 4.506 CV 1
ASSI { 863}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 39 and name HD2 ))
4.600 2.600 1.400 peak 863 weight 0.10000E+01 volume 0.48089E-03 ppm1 8.587 ppm2 3.712 CV 1
ASSI { 864}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 39 and name HD3 ))
4.000 2.000 2.000 peak 864 weight 0.10000E+01 volume 0.71434E-03 ppm1 8.589 ppm2 3.633 CV 1
ASSI { 865}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB2 ))
2.500 0.800 0.800 peak 865 weight 0.10000E+01 volume 0.49229E-02 ppm1 8.587 ppm2 2.789 CV 1
ASSI { 866}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB3 ))
3.100 1.200 1.200 peak 866 weight 0.10000E+01 volume 0.28156E-02 ppm1 8.587 ppm2 2.590 CV 1
ASSI { 867}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 17 and name HB ))
3.800 1.800 1.800 peak 867 weight 0.10000E+01 volume 0.46412E-03 ppm1 8.587 ppm2 2.182 CV 1
ASSI { 869}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB3 ))
3.800 1.800 1.800 peak 869 weight 0.10000E+01 volume 0.10925E-02 ppm1 8.589 ppm2 1.853 CV 1
ASSI { 870}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB2 ))
3.100 1.200 1.200 peak 870 weight 0.10000E+01 volume 0.16378E-02 ppm1 8.587 ppm2 1.489 CV 1
ASSI { 871}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 17 and name HG1%)
3.300 1.400 1.400 peak 871 weight 0.10000E+01 volume 0.15152E-02 ppm1 8.586 ppm2 0.824 CV 1
ASSI { 873}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 37 and name HD2%)
3.500 1.600 1.600 peak 873 weight 0.10000E+01 volume 0.18409E-02 ppm1 8.589 ppm2 0.353 CV 1
ASSI { 879}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 55 and name HN ))
4.700 2.800 1.300 peak 879 weight 0.10000E+01 volume 0.31730E-03 ppm1 7.618 ppm2 8.662 CV 1
ASSI { 881}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HD1 ))
3.300 1.400 1.400 peak 881 weight 0.10000E+01 volume 0.13292E-02 ppm1 7.614 ppm2 7.191 CV 1
ASSI { 882}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 55 and name HE3 ))
4.200 2.200 1.800 peak 882 weight 0.10000E+01 volume 0.42071E-03 ppm1 7.614 ppm2 6.959 CV 1
ASSI { 883}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 52 and name HA ))
4.500 2.600 1.500 peak 883 weight 0.10000E+01 volume 0.50600E-03 ppm1 7.615 ppm2 4.934 CV 1
ASSI { 885}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 52 and name HB3 ))
3.000 1.100 1.100 peak 885 weight 0.10000E+01 volume 0.24802E-02 ppm1 7.611 ppm2 3.529 CV 1
OR { 885}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 52 and name HB2 ))
ASSI { 886}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HB3 ))
3.200 1.300 1.300 peak 886 weight 0.10000E+01 volume 0.11969E-02 ppm1 7.613 ppm2 3.031 CV 1
ASSI { 887}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HB2 ))
3.300 1.300 1.300 peak 887 weight 0.10000E+01 volume 0.29622E-02 ppm1 7.612 ppm2 2.588 CV 1
ASSI { 898}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
3.500 1.500 1.500 peak 898 weight 0.10000E+01 volume 0.11193E-02 ppm1 8.707 ppm2 8.495 CV 1
ASSI { 899}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HN ))
3.600 1.600 1.600 peak 899 weight 0.10000E+01 volume 0.96888E-03 ppm1 8.702 ppm2 7.206 CV 1
ASSI { 900}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 38 and name HA ))
4.300 2.300 1.700 peak 900 weight 0.10000E+01 volume 0.47888E-03 ppm1 8.706 ppm2 5.257 CV 1
ASSI { 902}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
2.000 0.500 0.500 peak 902 weight 0.10000E+01 volume 0.17279E-01 ppm1 8.704 ppm2 4.408 CV 1
ASSI { 904}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
2.600 0.900 0.900 peak 904 weight 0.10000E+01 volume 0.38861E-02 ppm1 8.704 ppm2 3.925 CV 1
ASSI { 905}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 39 and name HD3 ))
3.300 1.400 1.400 peak 905 weight 0.10000E+01 volume 0.15860E-02 ppm1 8.704 ppm2 3.627 CV 1
ASSI { 906}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HG2 ))
2.900 1.000 1.000 peak 906 weight 0.10000E+01 volume 0.27178E-02 ppm1 8.705 ppm2 2.302 CV 1
ASSI { 907}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG2 ))
2.400 0.700 0.700 peak 907 weight 0.10000E+01 volume 0.76724E-02 ppm1 8.704 ppm2 2.172 CV 1
OR { 907}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG3 ))
ASSI { 908}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB3 ))
2.500 0.800 0.800 peak 908 weight 0.10000E+01 volume 0.78459E-02 ppm1 8.704 ppm2 1.999 CV 1
OR { 908}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 909}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB2 ))
2.800 1.000 1.000 peak 909 weight 0.10000E+01 volume 0.29315E-02 ppm1 8.704 ppm2 1.591 CV 1
ASSI { 910}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 17 and name HG2%)
3.900 1.900 1.900 peak 910 weight 0.10000E+01 volume 0.69230E-03 ppm1 8.707 ppm2 0.538 CV 1
ASSI { 913}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 17 and name HN ))
4.200 2.200 1.800 peak 913 weight 0.10000E+01 volume 0.33934E-03 ppm1 8.494 ppm2 8.914 CV 1
ASSI { 914}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 61 and name HN ))
3.600 1.600 1.600 peak 914 weight 0.10000E+01 volume 0.78229E-03 ppm1 8.492 ppm2 8.731 CV 1
ASSI { 917}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 16 and name HA ))
4.300 2.300 1.700 peak 917 weight 0.10000E+01 volume 0.37634E-03 ppm1 8.497 ppm2 5.081 CV 1
ASSI { 918}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HA ))
2.800 1.000 1.000 peak 918 weight 0.10000E+01 volume 0.26163E-02 ppm1 8.496 ppm2 4.776 CV 1
ASSI { 920}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HA ))
2.100 0.500 0.500 peak 920 weight 0.10000E+01 volume 0.15659E-01 ppm1 8.495 ppm2 4.411 CV 1
ASSI { 921}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HB3 ))
2.800 1.000 1.000 peak 921 weight 0.10000E+01 volume 0.40700E-02 ppm1 8.495 ppm2 2.684 CV 1
OR { 921}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HB2 ))
ASSI { 922}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB ))
2.400 0.700 0.700 peak 922 weight 0.10000E+01 volume 0.63460E-02 ppm1 8.495 ppm2 1.710 CV 1
ASSI { 924}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HG13))
2.700 0.900 0.900 peak 924 weight 0.10000E+01 volume 0.20604E-02 ppm1 8.497 ppm2 1.220 CV 1
ASSI { 925}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HG12))
3.700 1.700 1.700 peak 925 weight 0.10000E+01 volume 0.26805E-02 ppm1 8.496 ppm2 1.031 CV 1
ASSI { 927}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 42 and name HG2%)
3.600 1.600 1.600 peak 927 weight 0.10000E+01 volume 0.19262E-02 ppm1 8.497 ppm2 0.565 CV 1
ASSI { 928}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 42 and name HD1%)
3.700 1.700 1.700 peak 928 weight 0.10000E+01 volume 0.13627E-02 ppm1 8.493 ppm2 0.299 CV 1
ASSI { 945}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 16 and name HB2 ))
4.500 2.500 1.500 peak 945 weight 0.10000E+01 volume 0.34787E-03 ppm1 8.495 ppm2 1.839 CV 1
ASSI { 952}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 68 and name HN ))
4.100 2.100 1.900 peak 952 weight 0.10000E+01 volume 0.54998E-03 ppm1 8.979 ppm2 9.457 CV 1
ASSI { 955}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HD1 ))
2.900 1.100 1.100 peak 955 weight 0.10000E+01 volume 0.21802E-02 ppm1 8.978 ppm2 7.521 CV 1
ASSI { 956}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HE3 ))
4.500 2.600 1.500 peak 956 weight 0.10000E+01 volume 0.51261E-03 ppm1 8.978 ppm2 7.366 CV 1
ASSI { 957}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 34 and name HA ))
2.600 0.800 0.800 peak 957 weight 0.10000E+01 volume 0.41889E-02 ppm1 8.979 ppm2 5.812 CV 1
ASSI { 958}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HA1 ))
2.600 0.800 0.800 peak 958 weight 0.10000E+01 volume 0.42071E-02 ppm1 8.980 ppm2 4.246 CV 1
ASSI { 959}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HA2 ))
2.600 0.800 0.800 peak 959 weight 0.10000E+01 volume 0.46766E-02 ppm1 8.980 ppm2 4.051 CV 1
ASSI { 961}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HB3 ))
2.900 1.100 1.100 peak 961 weight 0.10000E+01 volume 0.17049E-02 ppm1 8.979 ppm2 3.225 CV 1
ASSI { 962}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HB2 ))
3.300 1.300 1.300 peak 962 weight 0.10000E+01 volume 0.30791E-02 ppm1 8.979 ppm2 2.988 CV 1
ASSI { 964}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 35 and name HB2 ))
4.200 2.200 1.800 peak 964 weight 0.10000E+01 volume 0.51951E-03 ppm1 8.983 ppm2 1.960 CV 1
ASSI { 966}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 35 and name HB3 ))
3.900 1.900 1.900 peak 966 weight 0.10000E+01 volume 0.75248E-03 ppm1 8.980 ppm2 0.902 CV 1
ASSI { 978}
(( segid " " and resid 30 and name HN ))
( segid " " and resid 30 and name HB% )
3.600 1.700 1.700 peak 978 weight 0.10000E+01 volume 0.87591E-03 ppm1 7.714 ppm2 0.919 CV 1
ASSI { 1011}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
4.200 2.200 1.800 peak 1011 weight 0.10000E+01 volume 0.49584E-03 ppm1 9.079 ppm2 9.530 CV 1
ASSI { 1015}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 45 and name HN ))
4.300 2.300 1.700 peak 1015 weight 0.10000E+01 volume 0.44074E-03 ppm1 9.077 ppm2 8.621 CV 1
ASSI { 1016}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
2.700 0.900 0.900 peak 1016 weight 0.10000E+01 volume 0.20249E-02 ppm1 9.079 ppm2 5.198 CV 1
ASSI { 1017}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
2.100 0.600 0.600 peak 1017 weight 0.10000E+01 volume 0.11069E-01 ppm1 9.079 ppm2 5.034 CV 1
ASSI { 1018}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 42 and name HA ))
3.500 1.600 1.600 peak 1018 weight 0.10000E+01 volume 0.13321E-02 ppm1 9.079 ppm2 4.793 CV 1
ASSI { 1019}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG2 ))
3.200 1.300 1.300 peak 1019 weight 0.10000E+01 volume 0.12909E-02 ppm1 9.078 ppm2 2.743 CV 1
ASSI { 1020}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG3 ))
3.200 1.300 1.300 peak 1020 weight 0.10000E+01 volume 0.15324E-02 ppm1 9.079 ppm2 2.469 CV 1
ASSI { 1021}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 15 and name HE% )
3.900 1.900 1.900 peak 1021 weight 0.10000E+01 volume 0.96311E-03 ppm1 9.083 ppm2 2.072 CV 1
ASSI { 1023}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HG2 ))
3.000 1.100 1.100 peak 1023 weight 0.10000E+01 volume 0.37030E-02 ppm1 9.078 ppm2 1.685 CV 1
OR { 1023}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HD2 ))
ASSI { 1026}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 42 and name HG2%)
3.000 1.100 1.100 peak 1026 weight 0.10000E+01 volume 0.16042E-02 ppm1 9.080 ppm2 0.558 CV 1
ASSI { 1027}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 43 and name HG1%)
4.100 2.100 1.900 peak 1027 weight 0.10000E+01 volume 0.59743E-03 ppm1 9.081 ppm2 0.402 CV 1
ASSI { 1028}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 42 and name HN ))
4.600 2.600 1.400 peak 1028 weight 0.10000E+01 volume 0.56407E-03 ppm1 9.072 ppm2 8.523 CV 1
ASSI { 1029}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
4.400 2.400 1.600 peak 1029 weight 0.10000E+01 volume 0.43987E-03 ppm1 9.076 ppm2 8.305 CV 1
ASSI { 1030}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HG3 ))
4.400 2.400 1.600 peak 1030 weight 0.10000E+01 volume 0.71712E-03 ppm1 9.075 ppm2 1.336 CV 1
ASSI { 1042}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 22 and name HD% )
4.200 2.300 1.800 peak 1042 weight 0.10000E+01 volume 0.32861E-03 ppm1 8.494 ppm2 6.975 CV 1
ASSI { 1043}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 38 and name HA ))
3.500 1.500 1.500 peak 1043 weight 0.10000E+01 volume 0.90992E-03 ppm1 8.498 ppm2 5.249 CV 1
ASSI { 1044}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
3.000 1.100 1.100 peak 1044 weight 0.10000E+01 volume 0.18994E-02 ppm1 8.499 ppm2 4.666 CV 1
ASSI { 1045}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 37 and name HA ))
3.800 1.800 1.800 peak 1045 weight 0.10000E+01 volume 0.68319E-03 ppm1 8.498 ppm2 4.527 CV 1
ASSI { 1046}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
2.200 0.600 0.600 peak 1046 weight 0.10000E+01 volume 0.10896E-01 ppm1 8.499 ppm2 3.924 CV 1
ASSI { 1048}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 39 and name HD3 ))
3.900 1.900 1.900 peak 1048 weight 0.10000E+01 volume 0.66038E-03 ppm1 8.498 ppm2 3.627 CV 1
ASSI { 1049}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB2 ))
3.100 1.200 1.200 peak 1049 weight 0.10000E+01 volume 0.12334E-02 ppm1 8.500 ppm2 3.087 CV 1
ASSI { 1050}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB3 ))
3.400 1.400 1.400 peak 1050 weight 0.10000E+01 volume 0.20164E-02 ppm1 8.498 ppm2 2.825 CV 1
ASSI { 1051}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HG3 ))
3.500 1.500 1.500 peak 1051 weight 0.10000E+01 volume 0.17126E-02 ppm1 8.499 ppm2 2.155 CV 1
OR { 1051}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 1052}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB2 ))
2.800 1.000 1.000 peak 1052 weight 0.10000E+01 volume 0.53599E-02 ppm1 8.498 ppm2 2.001 CV 1
OR { 1052}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB3 ))
ASSI { 1053}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 37 and name HB3 ))
2.700 0.900 0.900 peak 1053 weight 0.10000E+01 volume 0.35094E-02 ppm1 8.499 ppm2 1.846 CV 1
ASSI { 1054}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 37 and name HB2 ))
3.300 1.400 1.400 peak 1054 weight 0.10000E+01 volume 0.18467E-02 ppm1 8.495 ppm2 1.488 CV 1
ASSI { 1102}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HN ))
3.800 1.800 1.800 peak 1102 weight 0.10000E+01 volume 0.11375E-02 ppm1 8.338 ppm2 7.480 CV 1
ASSI { 1103}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HA ))
2.700 0.900 0.900 peak 1103 weight 0.10000E+01 volume 0.31481E-02 ppm1 8.344 ppm2 5.395 CV 1
ASSI { 1104}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HA ))
2.100 0.500 0.500 peak 1104 weight 0.10000E+01 volume 0.14634E-01 ppm1 8.344 ppm2 4.399 CV 1
ASSI { 1105}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 66 and name HA1 ))
4.100 2.100 1.900 peak 1105 weight 0.10000E+01 volume 0.39445E-03 ppm1 8.346 ppm2 4.254 CV 1
ASSI { 1106}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HG2 ))
3.300 1.400 1.400 peak 1106 weight 0.10000E+01 volume 0.16771E-02 ppm1 8.343 ppm2 2.260 CV 1
OR { 1106}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HG3 ))
ASSI { 1107}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HB3 ))
3.300 1.400 1.400 peak 1107 weight 0.10000E+01 volume 0.37279E-02 ppm1 8.345 ppm2 2.002 CV 1
ASSI { 1109}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 65 and name HG1%)
2.700 0.900 0.900 peak 1109 weight 0.10000E+01 volume 0.52210E-02 ppm1 8.343 ppm2 0.820 CV 1
ASSI { 1113}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HG2 ))
3.900 1.900 1.900 peak 1113 weight 0.10000E+01 volume 0.39244E-03 ppm1 8.295 ppm2 2.755 CV 1
ASSI { 1116}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HA ))
4.200 2.200 1.800 peak 1116 weight 0.10000E+01 volume 0.32085E-03 ppm1 8.289 ppm2 5.190 CV 1
ASSI { 1117}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
2.800 1.000 1.000 peak 1117 weight 0.10000E+01 volume 0.26709E-02 ppm1 8.293 ppm2 5.034 CV 1
ASSI { 1119}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
2.100 0.600 0.600 peak 1119 weight 0.10000E+01 volume 0.13426E-01 ppm1 8.293 ppm2 4.510 CV 1
ASSI { 1120}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB3 ))
3.100 1.200 1.200 peak 1120 weight 0.10000E+01 volume 0.20230E-02 ppm1 8.291 ppm2 2.326 CV 1
ASSI { 1122}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB2 ))
3.100 1.200 1.200 peak 1122 weight 0.10000E+01 volume 0.38362E-02 ppm1 8.293 ppm2 1.650 CV 1
OR { 1122}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HD2 ))
ASSI { 1123}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HG3 ))
3.200 1.300 1.300 peak 1123 weight 0.10000E+01 volume 0.14068E-02 ppm1 8.291 ppm2 1.340 CV 1
ASSI { 1124}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 42 and name HG2%)
4.700 2.800 1.300 peak 1124 weight 0.10000E+01 volume 0.39867E-03 ppm1 8.292 ppm2 0.552 CV 1
ASSI { 1127}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HN ))
3.400 1.500 1.500 peak 1127 weight 0.10000E+01 volume 0.76963E-03 ppm1 7.977 ppm2 8.782 CV 1
ASSI { 1129}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HD2 ))
4.000 2.000 2.000 peak 1129 weight 0.10000E+01 volume 0.40662E-03 ppm1 7.978 ppm2 7.128 CV 1
ASSI { 1130}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HA ))
3.100 1.200 1.200 peak 1130 weight 0.10000E+01 volume 0.17174E-02 ppm1 7.976 ppm2 4.938 CV 1
ASSI { 1132}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HA ))
3.100 1.200 1.200 peak 1132 weight 0.10000E+01 volume 0.20422E-02 ppm1 7.975 ppm2 4.254 CV 1
ASSI { 1133}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HB2 ))
2.900 1.100 1.100 peak 1133 weight 0.10000E+01 volume 0.23546E-02 ppm1 7.974 ppm2 3.519 CV 1
OR { 1133}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HB3 ))
ASSI { 1134}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HG3 ))
4.200 2.200 1.800 peak 1134 weight 0.10000E+01 volume 0.52162E-03 ppm1 7.975 ppm2 2.172 CV 1
OR { 1134}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HG2 ))
ASSI { 1140}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HA ))
2.800 1.000 1.000 peak 1140 weight 0.10000E+01 volume 0.29325E-02 ppm1 7.484 ppm2 4.209 CV 1
ASSI { 1142}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HB3 ))
2.700 0.900 0.900 peak 1142 weight 0.10000E+01 volume 0.28855E-02 ppm1 7.484 ppm2 2.004 CV 1
ASSI { 1151}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HA ))
3.000 1.100 1.100 peak 1151 weight 0.10000E+01 volume 0.18323E-02 ppm1 9.045 ppm2 5.383 CV 1
ASSI { 1152}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HG3 ))
4.300 2.300 1.700 peak 1152 weight 0.10000E+01 volume 0.67601E-03 ppm1 9.043 ppm2 1.248 CV 1
ASSI { 1153}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 46 and name HG2%)
3.100 1.200 1.200 peak 1153 weight 0.10000E+01 volume 0.17029E-02 ppm1 9.046 ppm2 0.977 CV 1
ASSI { 1154}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 35 and name HD1%)
3.800 1.800 1.800 peak 1154 weight 0.10000E+01 volume 0.68416E-03 ppm1 9.045 ppm2 0.717 CV 1
ASSI { 1173}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 49 and name HB3 ))
3.700 1.700 1.700 peak 1173 weight 0.10000E+01 volume 0.53398E-03 ppm1 7.968 ppm2 1.697 CV 1
ASSI { 1180}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 59 and name HN ))
3.200 1.300 1.300 peak 1180 weight 0.10000E+01 volume 0.11394E-02 ppm1 7.484 ppm2 9.105 CV 1
ASSI { 1181}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HN ))
2.600 0.800 0.800 peak 1181 weight 0.10000E+01 volume 0.45923E-02 ppm1 7.484 ppm2 8.774 CV 1
ASSI { 1186}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 62 and name HN ))
3.600 1.600 1.600 peak 1186 weight 0.10000E+01 volume 0.14979E-02 ppm1 7.483 ppm2 7.000 CV 1
ASSI { 1189}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HA ))
2.700 0.900 0.900 peak 1189 weight 0.10000E+01 volume 0.37634E-02 ppm1 7.484 ppm2 4.386 CV 1
ASSI { 1190}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 59 and name HB3 ))
3.200 1.300 1.300 peak 1190 weight 0.10000E+01 volume 0.19233E-02 ppm1 7.483 ppm2 3.463 CV 1
ASSI { 1191}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB3 ))
4.100 2.100 1.900 peak 1191 weight 0.10000E+01 volume 0.64447E-03 ppm1 7.486 ppm2 3.165 CV 1
ASSI { 1192}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB2 ))
4.000 2.000 2.000 peak 1192 weight 0.10000E+01 volume 0.54740E-03 ppm1 7.483 ppm2 2.852 CV 1
ASSI { 1193}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HB2 ))
2.700 0.900 0.900 peak 1193 weight 0.10000E+01 volume 0.52775E-02 ppm1 7.484 ppm2 1.813 CV 1
ASSI { 1194}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 58 and name HG3 ))
4.100 2.100 1.900 peak 1194 weight 0.10000E+01 volume 0.48291E-03 ppm1 7.482 ppm2 1.275 CV 1
ASSI { 1195}
(( segid " " and resid 64 and name HN ))
( segid " " and resid 62 and name HG2%)
3.800 1.800 1.800 peak 1195 weight 0.10000E+01 volume 0.82273E-03 ppm1 7.483 ppm2 1.111 CV 1
ASSI { 1207}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HA1 ))
2.500 0.800 0.800 peak 1207 weight 0.10000E+01 volume 0.45578E-02 ppm1 9.048 ppm2 4.881 CV 1
ASSI { 1208}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 45 and name HA ))
3.600 1.600 1.600 peak 1208 weight 0.10000E+01 volume 0.99376E-03 ppm1 9.045 ppm2 4.456 CV 1
ASSI { 1209}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HA2 ))
2.800 0.900 0.900 peak 1209 weight 0.10000E+01 volume 0.44879E-02 ppm1 9.048 ppm2 3.781 CV 1
ASSI { 1210}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HB3 ))
2.900 1.000 1.000 peak 1210 weight 0.10000E+01 volume 0.35046E-02 ppm1 9.047 ppm2 1.869 CV 1
ASSI { 1211}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HB2 ))
2.800 0.900 0.900 peak 1211 weight 0.10000E+01 volume 0.24083E-02 ppm1 9.046 ppm2 1.497 CV 1
ASSI { 1213}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 43 and name HG2%)
3.100 1.200 1.200 peak 1213 weight 0.10000E+01 volume 0.23632E-02 ppm1 9.045 ppm2 0.546 CV 1
ASSI { 1214}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 43 and name HG1%)
3.900 1.900 1.900 peak 1214 weight 0.10000E+01 volume 0.41984E-03 ppm1 9.047 ppm2 0.401 CV 1
ASSI { 1249}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 34 and name HD% )
3.100 1.200 1.200 peak 1249 weight 0.10000E+01 volume 0.47542E-02 ppm1 7.935 ppm2 7.169 CV 1
ASSI { 1250}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HA ))
2.800 1.000 1.000 peak 1250 weight 0.10000E+01 volume 0.27533E-02 ppm1 7.935 ppm2 5.801 CV 1
ASSI { 1252}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HA1 ))
2.200 0.600 0.600 peak 1252 weight 0.10000E+01 volume 0.80394E-02 ppm1 7.935 ppm2 4.321 CV 1
ASSI { 1253}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 66 and name HA2 ))
3.700 1.700 1.700 peak 1253 weight 0.10000E+01 volume 0.71856E-03 ppm1 7.933 ppm2 4.081 CV 1
ASSI { 1254}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HA2 ))
2.800 1.000 1.000 peak 1254 weight 0.10000E+01 volume 0.65368E-02 ppm1 7.935 ppm2 3.940 CV 1
ASSI { 1255}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 27 and name HD2 ))
3.700 1.700 1.700 peak 1255 weight 0.10000E+01 volume 0.73044E-03 ppm1 7.937 ppm2 3.674 CV 1
ASSI { 1256}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB2 ))
2.700 0.900 0.900 peak 1256 weight 0.10000E+01 volume 0.38851E-02 ppm1 7.935 ppm2 3.149 CV 1
ASSI { 1257}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 23 and name HA1 ))
4.700 2.700 1.300 peak 1257 weight 0.10000E+01 volume 0.30465E-03 ppm1 7.934 ppm2 2.405 CV 1
OR { 1257}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 23 and name HA2 ))
ASSI { 1258}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 27 and name HG3 ))
3.400 1.400 1.400 peak 1258 weight 0.10000E+01 volume 0.11634E-02 ppm1 7.936 ppm2 2.094 CV 1
OR { 1258}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 27 and name HG2 ))
ASSI { 1270}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 22 and name HN ))
3.700 1.700 1.700 peak 1270 weight 0.10000E+01 volume 0.62243E-03 ppm1 6.447 ppm2 8.802 CV 1
ASSI { 1271}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 34 and name HE% )
3.500 1.600 1.600 peak 1271 weight 0.10000E+01 volume 0.92074E-03 ppm1 6.447 ppm2 7.016 CV 1
ASSI { 1275}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HA ))
4.500 2.600 1.500 peak 1275 weight 0.10000E+01 volume 0.59158E-03 ppm1 6.448 ppm2 5.128 CV 1
ASSI { 1276}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA ))
2.800 1.000 1.000 peak 1276 weight 0.10000E+01 volume 0.27676E-02 ppm1 6.446 ppm2 4.252 CV 1
ASSI { 1278}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HG12))
3.600 1.600 1.600 peak 1278 weight 0.10000E+01 volume 0.18707E-02 ppm1 6.446 ppm2 1.268 CV 1
ASSI { 1279}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 24 and name HG2%)
3.600 1.600 1.600 peak 1279 weight 0.10000E+01 volume 0.20307E-02 ppm1 6.447 ppm2 0.927 CV 1
ASSI { 1280}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 24 and name HD1%)
3.800 1.800 1.800 peak 1280 weight 0.10000E+01 volume 0.11232E-02 ppm1 6.447 ppm2 0.782 CV 1
ASSI { 1282}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 34 and name HZ ))
4.100 2.100 1.900 peak 1282 weight 0.10000E+01 volume 0.45310E-03 ppm1 6.446 ppm2 7.774 CV 1
ASSI { 1287}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HN ))
2.500 0.800 0.800 peak 1287 weight 0.10000E+01 volume 0.56925E-02 ppm1 6.445 ppm2 4.402 CV 1
ASSI { 1288}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HD2 ))
3.800 1.800 1.800 peak 1288 weight 0.10000E+01 volume 0.51366E-03 ppm1 6.443 ppm2 3.855 CV 1
ASSI { 1289}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 34 and name HB2 ))
4.500 2.500 1.500 peak 1289 weight 0.10000E+01 volume 0.32526E-03 ppm1 6.445 ppm2 3.173 CV 1
ASSI { 1290}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA1 ))
2.900 1.100 1.100 peak 1290 weight 0.10000E+01 volume 0.28338E-02 ppm1 6.445 ppm2 2.404 CV 1
OR { 1290}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA2 ))
ASSI { 1291}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB ))
2.500 0.800 0.800 peak 1291 weight 0.10000E+01 volume 0.52622E-02 ppm1 6.445 ppm2 1.671 CV 1
ASSI { 1298}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 59 and name HN ))
4.300 2.300 1.700 peak 1298 weight 0.10000E+01 volume 0.29986E-03 ppm1 8.769 ppm2 9.131 CV 1
ASSI { 1303}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HN ))
2.200 0.600 0.600 peak 1303 weight 0.10000E+01 volume 0.10925E-01 ppm1 8.772 ppm2 7.000 CV 1
ASSI { 1305}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HA ))
3.000 1.200 1.200 peak 1305 weight 0.10000E+01 volume 0.23939E-02 ppm1 8.772 ppm2 4.381 CV 1
ASSI { 1306}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HA ))
2.100 0.600 0.600 peak 1306 weight 0.10000E+01 volume 0.13062E-01 ppm1 8.772 ppm2 4.208 CV 1
ASSI { 1307}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 59 and name HB3 ))
4.000 2.000 2.000 peak 1307 weight 0.10000E+01 volume 0.86499E-03 ppm1 8.770 ppm2 3.458 CV 1
ASSI { 1308}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB3 ))
3.200 1.300 1.300 peak 1308 weight 0.10000E+01 volume 0.13378E-02 ppm1 8.772 ppm2 3.183 CV 1
ASSI { 1309}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB2 ))
3.500 1.500 1.500 peak 1309 weight 0.10000E+01 volume 0.18889E-02 ppm1 8.773 ppm2 2.858 CV 1
ASSI { 1314}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 58 and name HG3 ))
3.800 1.900 1.900 peak 1314 weight 0.10000E+01 volume 0.58363E-03 ppm1 8.771 ppm2 1.255 CV 1
ASSI { 1315}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 62 and name HG2%)
3.700 1.700 1.700 peak 1315 weight 0.10000E+01 volume 0.11183E-02 ppm1 8.770 ppm2 1.104 CV 1
ASSI { 1326}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
3.900 1.900 1.900 peak 1326 weight 0.10000E+01 volume 0.43010E-03 ppm1 7.447 ppm2 7.697 CV 1
ASSI { 1340}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 69 and name HG2 ))
4.700 2.800 1.300 peak 1340 weight 0.10000E+01 volume 0.33340E-03 ppm1 9.460 ppm2 0.873 CV 1
ASSI { 1345}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 54 and name HE3 ))
3.000 1.100 1.100 peak 1345 weight 0.10000E+01 volume 0.20997E-02 ppm1 9.452 ppm2 7.212 CV 1
ASSI { 1346}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 68 and name HD% )
3.000 1.100 1.100 peak 1346 weight 0.10000E+01 volume 0.21246E-02 ppm1 9.450 ppm2 7.022 CV 1
ASSI { 1347}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HA ))
2.300 0.600 0.600 peak 1347 weight 0.10000E+01 volume 0.87093E-02 ppm1 9.450 ppm2 5.864 CV 1
ASSI { 1348}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HA ))
2.900 1.100 1.100 peak 1348 weight 0.10000E+01 volume 0.18217E-02 ppm1 9.449 ppm2 5.286 CV 1
ASSI { 1349}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 54 and name HA ))
4.000 2.000 2.000 peak 1349 weight 0.10000E+01 volume 0.68789E-03 ppm1 9.452 ppm2 4.687 CV 1
ASSI { 1350}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 56 and name HA ))
3.200 1.200 1.200 peak 1350 weight 0.10000E+01 volume 0.15582E-02 ppm1 9.451 ppm2 4.317 CV 1
ASSI { 1354}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 69 and name HD3 ))
4.400 2.400 1.600 peak 1354 weight 0.10000E+01 volume 0.54241E-03 ppm1 9.448 ppm2 2.386 CV 1
ASSI { 1355}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 55 and name HB2 ))
3.900 1.900 1.900 peak 1355 weight 0.10000E+01 volume 0.75286E-03 ppm1 9.448 ppm2 2.061 CV 1
ASSI { 1361}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 18 and name HN ))
3.600 1.700 1.700 peak 1361 weight 0.10000E+01 volume 0.82359E-03 ppm1 9.002 ppm2 8.813 CV 1
ASSI { 1362}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HN ))
4.100 2.100 1.900 peak 1362 weight 0.10000E+01 volume 0.67274E-03 ppm1 9.006 ppm2 7.357 CV 1
ASSI { 1363}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HD2 ))
3.200 1.300 1.300 peak 1363 weight 0.10000E+01 volume 0.15889E-02 ppm1 9.003 ppm2 7.124 CV 1
ASSI { 1364}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 18 and name HD% )
3.600 1.600 1.600 peak 1364 weight 0.10000E+01 volume 0.73111E-03 ppm1 9.002 ppm2 6.909 CV 1
ASSI { 1365}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HA ))
2.300 0.700 0.700 peak 1365 weight 0.10000E+01 volume 0.78593E-02 ppm1 9.003 ppm2 5.340 CV 1
ASSI { 1366}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 16 and name HA ))
4.200 2.200 1.800 peak 1366 weight 0.10000E+01 volume 0.32075E-03 ppm1 9.005 ppm2 5.098 CV 1
ASSI { 1367}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 17 and name HA ))
3.300 1.400 1.400 peak 1367 weight 0.10000E+01 volume 0.10963E-02 ppm1 9.005 ppm2 3.970 CV 1
ASSI { 1368}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HB2 ))
3.900 1.900 1.900 peak 1368 weight 0.10000E+01 volume 0.11193E-02 ppm1 9.004 ppm2 3.247 CV 1
ASSI { 1369}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HB ))
2.400 0.700 0.700 peak 1369 weight 0.10000E+01 volume 0.55621E-02 ppm1 9.004 ppm2 2.069 CV 1
ASSI { 1371}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 15 and name HB2 ))
3.600 1.600 1.600 peak 1371 weight 0.10000E+01 volume 0.62052E-03 ppm1 9.003 ppm2 1.712 CV 1
ASSI { 1372}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 73 and name HG2%)
3.600 1.700 1.700 peak 1372 weight 0.10000E+01 volume 0.13244E-02 ppm1 9.004 ppm2 1.168 CV 1
ASSI { 1373}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 73 and name HG1%)
3.600 1.600 1.600 peak 1373 weight 0.10000E+01 volume 0.21457E-02 ppm1 9.004 ppm2 0.556 CV 1
ASSI { 1380}
(( segid " " and resid 31 and name HN ))
( segid " " and resid 31 and name HD% )
3.800 1.800 1.800 peak 1380 weight 0.10000E+01 volume 0.70725E-03 ppm1 7.450 ppm2 6.129 CV 1
ASSI { 1382}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 29 and name HA1 ))
4.000 2.000 2.000 peak 1382 weight 0.10000E+01 volume 0.62761E-03 ppm1 7.452 ppm2 3.648 CV 1
OR { 1382}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 29 and name HA2 ))
ASSI { 1383}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HB3 ))
2.500 0.800 0.800 peak 1383 weight 0.10000E+01 volume 0.46489E-02 ppm1 7.449 ppm2 2.072 CV 1
ASSI { 1385}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 32 and name HN ))
3.200 1.200 1.200 peak 1385 weight 0.10000E+01 volume 0.15937E-02 ppm1 7.447 ppm2 6.599 CV 1
ASSI { 1386}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA ))
2.700 0.900 0.900 peak 1386 weight 0.10000E+01 volume 0.42837E-02 ppm1 7.448 ppm2 3.995 CV 1
ASSI { 1387}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HB2 ))
3.400 1.400 1.400 peak 1387 weight 0.10000E+01 volume 0.28884E-02 ppm1 7.448 ppm2 1.286 CV 1
ASSI { 1388}
(( segid " " and resid 31 and name HN ))
( segid " " and resid 30 and name HB% )
3.500 1.500 1.500 peak 1388 weight 0.10000E+01 volume 0.19272E-02 ppm1 7.447 ppm2 0.920 CV 1
ASSI { 1402}
(( segid " " and resid 38 and name HD21))
(( segid " " and resid 38 and name HD22))
1.900 0.400 0.400 peak 1402 weight 0.10000E+01 volume 0.14941E-01 ppm1 8.442 ppm2 6.991 CV 1
ASSI { 1404}
(( segid " " and resid 38 and name HD21))
(( segid " " and resid 38 and name HB2 ))
2.800 1.000 1.000 peak 1404 weight 0.10000E+01 volume 0.24073E-02 ppm1 8.443 ppm2 2.794 CV 1
ASSI { 1405}
(( segid " " and resid 38 and name HD21))
(( segid " " and resid 38 and name HB3 ))
3.400 1.400 1.400 peak 1405 weight 0.10000E+01 volume 0.11701E-02 ppm1 8.443 ppm2 2.571 CV 1
ASSI { 1414}
(( segid " " and resid 38 and name HD22))
(( segid " " and resid 38 and name HB2 ))
3.800 1.800 1.800 peak 1414 weight 0.10000E+01 volume 0.13714E-02 ppm1 6.991 ppm2 2.795 CV 1
ASSI { 1415}
(( segid " " and resid 38 and name HD22))
(( segid " " and resid 38 and name HB3 ))
4.300 2.300 1.700 peak 1415 weight 0.10000E+01 volume 0.67543E-03 ppm1 6.990 ppm2 2.569 CV 1
ASSI { 1425}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 72 and name HG3 ))
4.400 2.400 1.600 peak 1425 weight 0.10000E+01 volume 0.31424E-03 ppm1 7.488 ppm2 1.696 CV 1
ASSI { 1430}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HB3 ))
3.700 1.700 1.700 peak 1430 weight 0.10000E+01 volume 0.53456E-03 ppm1 7.492 ppm2 0.647 CV 1
ASSI { 1433}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HD21))
3.200 1.300 1.300 peak 1433 weight 0.10000E+01 volume 0.10896E-02 ppm1 7.485 ppm2 7.319 CV 1
ASSI { 1434}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 72 and name HN ))
2.800 1.000 1.000 peak 1434 weight 0.10000E+01 volume 0.23958E-02 ppm1 7.486 ppm2 7.202 CV 1
ASSI { 1436}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HA ))
2.900 1.000 1.000 peak 1436 weight 0.10000E+01 volume 0.25799E-02 ppm1 7.485 ppm2 4.510 CV 1
ASSI { 1437}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 69 and name HA ))
4.200 2.200 1.800 peak 1437 weight 0.10000E+01 volume 0.61074E-03 ppm1 7.485 ppm2 3.669 CV 1
ASSI { 1438}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HA ))
3.500 1.500 1.500 peak 1438 weight 0.10000E+01 volume 0.98231E-03 ppm1 7.484 ppm2 3.371 CV 1
ASSI { 1439}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB2 ))
3.000 1.100 1.100 peak 1439 weight 0.10000E+01 volume 0.16694E-02 ppm1 7.486 ppm2 3.165 CV 1
ASSI { 1440}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB3 ))
3.200 1.300 1.300 peak 1440 weight 0.10000E+01 volume 0.26306E-02 ppm1 7.485 ppm2 2.651 CV 1
ASSI { 1441}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 69 and name HB2 ))
3.000 1.100 1.100 peak 1441 weight 0.10000E+01 volume 0.14825E-02 ppm1 7.486 ppm2 1.491 CV 1
ASSI { 1442}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 69 and name HB3 ))
3.600 1.700 1.700 peak 1442 weight 0.10000E+01 volume 0.11203E-02 ppm1 7.486 ppm2 1.230 CV 1
ASSI { 1443}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HB2 ))
4.200 2.200 1.800 peak 1443 weight 0.10000E+01 volume 0.63394E-03 ppm1 7.484 ppm2 0.876 CV 1
ASSI { 1462}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 52 and name HA ))
4.400 2.400 1.600 peak 1462 weight 0.10000E+01 volume 0.52689E-03 ppm1 8.794 ppm2 4.938 CV 1
ASSI { 1466}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HG2 ))
3.100 1.200 1.200 peak 1466 weight 0.10000E+01 volume 0.17652E-02 ppm1 8.796 ppm2 2.164 CV 1
OR { 1466}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HG3 ))
ASSI { 1467}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HB3 ))
3.300 1.300 1.300 peak 1467 weight 0.10000E+01 volume 0.17595E-02 ppm1 8.796 ppm2 2.039 CV 1
ASSI { 1468}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 50 and name HB% )
3.100 1.200 1.200 peak 1468 weight 0.10000E+01 volume 0.16915E-02 ppm1 8.795 ppm2 1.393 CV 1
ASSI { 1488}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 73 and name HN ))
2.400 0.700 0.700 peak 1488 weight 0.10000E+01 volume 0.60528E-02 ppm1 7.198 ppm2 7.368 CV 1
ASSI { 1492}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HA ))
3.300 1.300 1.300 peak 1492 weight 0.10000E+01 volume 0.14088E-02 ppm1 7.197 ppm2 4.513 CV 1
ASSI { 1493}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HA ))
2.700 0.900 0.900 peak 1493 weight 0.10000E+01 volume 0.32545E-02 ppm1 7.198 ppm2 3.943 CV 1
ASSI { 1494}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 70 and name HA ))
3.400 1.500 1.500 peak 1494 weight 0.10000E+01 volume 0.92200E-03 ppm1 7.198 ppm2 3.373 CV 1
ASSI { 1495}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HB2 ))
4.000 2.000 2.000 peak 1495 weight 0.10000E+01 volume 0.34279E-03 ppm1 7.200 ppm2 3.177 CV 1
ASSI { 1496}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HD2 ))
4.400 2.500 1.600 peak 1496 weight 0.10000E+01 volume 0.66154E-03 ppm1 7.200 ppm2 2.933 CV 1
ASSI { 1497}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HD3 ))
4.200 2.200 1.800 peak 1497 weight 0.10000E+01 volume 0.55803E-03 ppm1 7.199 ppm2 2.779 CV 1
ASSI { 1498}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HB3 ))
2.700 0.900 0.900 peak 1498 weight 0.10000E+01 volume 0.21956E-02 ppm1 7.199 ppm2 2.536 CV 1
ASSI { 1499}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HG3 ))
2.600 0.800 0.800 peak 1499 weight 0.10000E+01 volume 0.35084E-02 ppm1 7.198 ppm2 1.702 CV 1
ASSI { 1500}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HB2 ))
3.100 1.200 1.200 peak 1500 weight 0.10000E+01 volume 0.46603E-02 ppm1 7.198 ppm2 1.453 CV 1
ASSI { 1501}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 73 and name HG2%)
3.800 1.800 1.800 peak 1501 weight 0.10000E+01 volume 0.13369E-02 ppm1 7.199 ppm2 1.184 CV 1
ASSI { 1503}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 73 and name HG1%)
3.700 1.700 1.700 peak 1503 weight 0.10000E+01 volume 0.10810E-02 ppm1 7.201 ppm2 0.547 CV 1
ASSI { 1520}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HN ))
4.300 2.300 1.700 peak 1520 weight 0.10000E+01 volume 0.64716E-03 ppm1 9.007 ppm2 8.640 CV 1
ASSI { 1522}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 57 and name HA1 ))
2.600 0.900 0.900 peak 1522 weight 0.10000E+01 volume 0.29478E-02 ppm1 9.001 ppm2 4.881 CV 1
ASSI { 1524}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA ))
2.400 0.700 0.700 peak 1524 weight 0.10000E+01 volume 0.59598E-02 ppm1 9.002 ppm2 4.454 CV 1
ASSI { 1525}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HA ))
3.000 1.100 1.100 peak 1525 weight 0.10000E+01 volume 0.19320E-02 ppm1 9.000 ppm2 4.301 CV 1
ASSI { 1526}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB ))
3.900 1.900 1.900 peak 1526 weight 0.10000E+01 volume 0.57490E-03 ppm1 9.003 ppm2 4.004 CV 1
ASSI { 1527}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 57 and name HA2 ))
3.300 1.400 1.400 peak 1527 weight 0.10000E+01 volume 0.20087E-02 ppm1 9.002 ppm2 3.778 CV 1
ASSI { 1529}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HB2 ))
3.700 1.700 1.700 peak 1529 weight 0.10000E+01 volume 0.11586E-02 ppm1 9.002 ppm2 1.119 CV 1
ASSI { 1530}
(( segid " " and resid 46 and name HN ))
( segid " " and resid 46 and name HG2%)
3.100 1.200 1.200 peak 1530 weight 0.10000E+01 volume 0.17652E-02 ppm1 9.001 ppm2 0.974 CV 1
ASSI { 1538}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 17 and name HN ))
3.200 1.300 1.300 peak 1538 weight 0.10000E+01 volume 0.15860E-02 ppm1 8.792 ppm2 8.940 CV 1
ASSI { 1540}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 38 and name HN ))
3.900 1.900 1.900 peak 1540 weight 0.10000E+01 volume 0.51174E-03 ppm1 8.793 ppm2 8.616 CV 1
ASSI { 1542}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 18 and name HA ))
3.400 1.400 1.400 peak 1542 weight 0.10000E+01 volume 0.96888E-03 ppm1 8.794 ppm2 5.051 CV 1
ASSI { 1543}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HA1 ))
2.500 0.800 0.800 peak 1543 weight 0.10000E+01 volume 0.43853E-02 ppm1 8.793 ppm2 4.467 CV 1
ASSI { 1544}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 17 and name HA ))
4.200 2.300 1.800 peak 1544 weight 0.10000E+01 volume 0.40020E-03 ppm1 8.796 ppm2 3.958 CV 1
ASSI { 1545}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HA ))
2.000 0.500 0.500 peak 1545 weight 0.10000E+01 volume 0.15458E-01 ppm1 8.792 ppm2 3.648 CV 1
ASSI { 1547}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HB2 ))
3.600 1.600 1.600 peak 1547 weight 0.10000E+01 volume 0.14749E-02 ppm1 8.793 ppm2 1.943 CV 1
ASSI { 1548}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 17 and name HG1%)
4.000 2.000 2.000 peak 1548 weight 0.10000E+01 volume 0.75545E-03 ppm1 8.792 ppm2 0.833 CV 1
ASSI { 1549}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 17 and name HG2%)
3.300 1.400 1.400 peak 1549 weight 0.10000E+01 volume 0.23220E-02 ppm1 8.793 ppm2 0.541 CV 1
ASSI { 1550}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 42 and name HN ))
5.000 3.200 1.000 peak 1550 weight 0.10000E+01 volume 0.34528E-03 ppm1 8.789 ppm2 8.524 CV 1
ASSI { 1551}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 41 and name HB2 ))
5.100 3.300 0.900 peak 1551 weight 0.10000E+01 volume 0.41342E-03 ppm1 8.789 ppm2 2.677 CV 1
OR { 1551}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 41 and name HB3 ))
ASSI { 1577}
(( segid " " and resid 59 and name HD22))
(( segid " " and resid 59 and name HB2 ))
3.200 1.300 1.300 peak 1577 weight 0.10000E+01 volume 0.12065E-02 ppm1 8.270 ppm2 2.423 CV 1
ASSI { 1578}
(( segid " " and resid 59 and name HD22))
( segid " " and resid 37 and name HD2%)
3.600 1.600 1.600 peak 1578 weight 0.10000E+01 volume 0.93913E-03 ppm1 8.269 ppm2 0.354 CV 1
ASSI { 1582}
(( segid " " and resid 59 and name HD22))
(( segid " " and resid 59 and name HD21))
2.000 0.500 0.500 peak 1582 weight 0.10000E+01 volume 0.92561E-02 ppm1 8.266 ppm2 7.192 CV 1
ASSI { 1583}
(( segid " " and resid 59 and name HD22))
(( segid " " and resid 37 and name HA ))
3.700 1.700 1.700 peak 1583 weight 0.10000E+01 volume 0.88080E-03 ppm1 8.266 ppm2 4.506 CV 1
ASSI { 1584}
(( segid " " and resid 59 and name HD22))
(( segid " " and resid 59 and name HB3 ))
3.400 1.500 1.500 peak 1584 weight 0.10000E+01 volume 0.61093E-03 ppm1 8.266 ppm2 3.456 CV 1
ASSI { 1585}
(( segid " " and resid 59 and name HD22))
(( segid " " and resid 41 and name HB3 ))
3.800 1.800 1.800 peak 1585 weight 0.10000E+01 volume 0.94319E-03 ppm1 8.266 ppm2 2.683 CV 1
OR { 1585}
(( segid " " and resid 59 and name HD22))
(( segid " " and resid 41 and name HB2 ))
ASSI { 1586}
(( segid " " and resid 59 and name HD22))
( segid " " and resid 61 and name HB% )
3.900 1.900 1.900 peak 1586 weight 0.10000E+01 volume 0.59646E-03 ppm1 8.266 ppm2 1.540 CV 1
ASSI { 1587}
(( segid " " and resid 59 and name HD22))
( segid " " and resid 62 and name HG2%)
4.000 2.000 2.000 peak 1587 weight 0.10000E+01 volume 0.48386E-03 ppm1 8.267 ppm2 1.108 CV 1
ASSI { 1588}
(( segid " " and resid 59 and name HD22))
( segid " " and resid 35 and name HD2%)
4.100 2.100 1.900 peak 1588 weight 0.10000E+01 volume 0.37758E-03 ppm1 8.268 ppm2 0.825 CV 1
ASSI { 1594}
(( segid " " and resid 8 and name HD22))
(( segid " " and resid 8 and name HD21))
2.300 0.600 0.600 peak 1594 weight 0.10000E+01 volume 0.49181E-02 ppm1 7.623 ppm2 6.926 CV 1
ASSI { 1597}
(( segid " " and resid 8 and name HD22))
(( segid " " and resid 4 and name HA ))
4.200 2.200 1.800 peak 1597 weight 0.10000E+01 volume 0.35353E-03 ppm1 7.626 ppm2 4.606 CV 1
ASSI { 1604}
(( segid " " and resid 59 and name HD21))
(( segid " " and resid 37 and name HA ))
3.300 1.400 1.400 peak 1604 weight 0.10000E+01 volume 0.95932E-03 ppm1 7.195 ppm2 4.513 CV 1
ASSI { 1605}
(( segid " " and resid 59 and name HD21))
(( segid " " and resid 59 and name HB3 ))
4.100 2.100 1.900 peak 1605 weight 0.10000E+01 volume 0.96789E-03 ppm1 7.193 ppm2 3.463 CV 1
ASSI { 1606}
(( segid " " and resid 59 and name HD21))
(( segid " " and resid 41 and name HB3 ))
3.700 1.700 1.700 peak 1606 weight 0.10000E+01 volume 0.58841E-03 ppm1 7.196 ppm2 2.689 CV 1
OR { 1606}
(( segid " " and resid 59 and name HD21))
(( segid " " and resid 41 and name HB2 ))
ASSI { 1607}
(( segid " " and resid 59 and name HD21))
(( segid " " and resid 59 and name HB2 ))
3.800 1.800 1.800 peak 1607 weight 0.10000E+01 volume 0.14720E-02 ppm1 7.197 ppm2 2.424 CV 1
ASSI { 1608}
(( segid " " and resid 59 and name HD21))
( segid " " and resid 61 and name HB% )
3.900 1.900 1.900 peak 1608 weight 0.10000E+01 volume 0.49517E-03 ppm1 7.196 ppm2 1.535 CV 1
ASSI { 1609}
(( segid " " and resid 59 and name HD21))
( segid " " and resid 62 and name HG2%)
4.300 2.300 1.700 peak 1609 weight 0.10000E+01 volume 0.46373E-03 ppm1 7.198 ppm2 1.107 CV 1
ASSI { 1610}
(( segid " " and resid 59 and name HD21))
( segid " " and resid 35 and name HD2%)
4.500 2.500 1.500 peak 1610 weight 0.10000E+01 volume 0.34577E-03 ppm1 7.194 ppm2 0.837 CV 1
ASSI { 1611}
(( segid " " and resid 59 and name HD21))
( segid " " and resid 35 and name HD1%)
4.900 3.000 1.100 peak 1611 weight 0.10000E+01 volume 0.35736E-03 ppm1 7.193 ppm2 0.704 CV 1
ASSI { 1612}
(( segid " " and resid 59 and name HD21))
( segid " " and resid 37 and name HD2%)
3.400 1.500 1.500 peak 1612 weight 0.10000E+01 volume 0.10829E-02 ppm1 7.193 ppm2 0.358 CV 1
ASSI { 1617}
(( segid " " and resid 8 and name HD21))
(( segid " " and resid 4 and name HA ))
4.000 2.000 2.000 peak 1617 weight 0.10000E+01 volume 0.41601E-03 ppm1 6.925 ppm2 4.606 CV 1
ASSI { 1618}
(( segid " " and resid 53 and name HD22))
(( segid " " and resid 53 and name HA ))
4.800 2.800 1.200 peak 1618 weight 0.10000E+01 volume 0.31337E-03 ppm1 6.832 ppm2 4.608 CV 1
ASSI { 1623}
(( segid " " and resid 63 and name HD21))
(( segid " " and resid 63 and name HA ))
4.300 2.300 1.700 peak 1623 weight 0.10000E+01 volume 0.31960E-03 ppm1 7.566 ppm2 4.205 CV 1
ASSI { 1625}
(( segid " " and resid 63 and name HD21))
(( segid " " and resid 63 and name HD22))
1.800 0.400 0.400 peak 1625 weight 0.10000E+01 volume 0.17106E-01 ppm1 7.563 ppm2 6.801 CV 1
ASSI { 1628}
(( segid " " and resid 63 and name HD21))
(( segid " " and resid 63 and name HB3 ))
3.100 1.200 1.200 peak 1628 weight 0.10000E+01 volume 0.14116E-02 ppm1 7.562 ppm2 3.175 CV 1
ASSI { 1629}
(( segid " " and resid 63 and name HD21))
(( segid " " and resid 63 and name HB2 ))
3.100 1.200 1.200 peak 1629 weight 0.10000E+01 volume 0.12708E-02 ppm1 7.564 ppm2 2.854 CV 1
ASSI { 1631}
(( segid " " and resid 53 and name HD21))
(( segid " " and resid 53 and name HD22))
2.500 0.800 0.800 peak 1631 weight 0.10000E+01 volume 0.23815E-02 ppm1 7.277 ppm2 6.838 CV 1
ASSI { 1632}
(( segid " " and resid 53 and name HD21))
(( segid " " and resid 52 and name HA ))
4.400 2.400 1.600 peak 1632 weight 0.10000E+01 volume 0.33905E-03 ppm1 7.279 ppm2 4.938 CV 1
ASSI { 1634}
(( segid " " and resid 53 and name HD21))
(( segid " " and resid 53 and name HB2 ))
3.800 1.800 1.800 peak 1634 weight 0.10000E+01 volume 0.40911E-03 ppm1 7.274 ppm2 2.623 CV 1
OR { 1634}
(( segid " " and resid 53 and name HD21))
(( segid " " and resid 53 and name HB3 ))
ASSI { 1644}
(( segid " " and resid 53 and name HD22))
(( segid " " and resid 53 and name HB2 ))
4.700 2.800 1.300 peak 1644 weight 0.10000E+01 volume 0.45195E-03 ppm1 6.839 ppm2 2.635 CV 1
OR { 1644}
(( segid " " and resid 53 and name HD22))
(( segid " " and resid 53 and name HB3 ))
ASSI { 1646}
(( segid " " and resid 53 and name HD22))
(( segid " " and resid 52 and name HA ))
4.500 2.500 1.500 peak 1646 weight 0.10000E+01 volume 0.41371E-03 ppm1 6.834 ppm2 4.938 CV 1
ASSI { 1651}
(( segid " " and resid 63 and name HD22))
(( segid " " and resid 63 and name HB3 ))
4.300 2.300 1.700 peak 1651 weight 0.10000E+01 volume 0.83394E-03 ppm1 6.795 ppm2 3.178 CV 1
ASSI { 1652}
(( segid " " and resid 63 and name HD22))
(( segid " " and resid 63 and name HB2 ))
4.500 2.500 1.500 peak 1652 weight 0.10000E+01 volume 0.63404E-03 ppm1 6.795 ppm2 2.858 CV 1
ASSI { 1658}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 58 and name HN ))
3.900 1.900 1.900 peak 1658 weight 0.10000E+01 volume 0.11241E-02 ppm1 8.667 ppm2 9.035 CV 1
ASSI { 1662}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 68 and name HZ ))
3.700 1.800 1.800 peak 1662 weight 0.10000E+01 volume 0.11452E-02 ppm1 8.663 ppm2 6.989 CV 1
ASSI { 1664}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 67 and name HA ))
3.600 1.600 1.600 peak 1664 weight 0.10000E+01 volume 0.14835E-02 ppm1 8.665 ppm2 5.867 CV 1
ASSI { 1665}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HA1 ))
3.000 1.200 1.200 peak 1665 weight 0.10000E+01 volume 0.20470E-02 ppm1 8.665 ppm2 4.884 CV 1
ASSI { 1666}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HA ))
2.300 0.700 0.700 peak 1666 weight 0.10000E+01 volume 0.65569E-02 ppm1 8.665 ppm2 4.320 CV 1
ASSI { 1667}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HG3 ))
2.700 0.900 0.900 peak 1667 weight 0.10000E+01 volume 0.35066E-02 ppm1 8.666 ppm2 1.537 CV 1
ASSI { 1668}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HB2 ))
4.300 2.300 1.700 peak 1668 weight 0.10000E+01 volume 0.79666E-03 ppm1 8.668 ppm2 1.218 CV 1
ASSI { 1669}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 46 and name HG2%)
3.900 1.900 1.900 peak 1669 weight 0.10000E+01 volume 0.63240E-03 ppm1 8.664 ppm2 0.960 CV 1
ASSI { 1671}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HG2 ))
3.300 1.400 1.400 peak 1671 weight 0.10000E+01 volume 0.26028E-02 ppm1 8.666 ppm2 0.565 CV 1
ASSI { 1672}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HB3 ))
3.900 1.900 1.900 peak 1672 weight 0.10000E+01 volume 0.79810E-03 ppm1 8.666 ppm2 -0.796 CV 1
ASSI { 1677}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HA ))
2.100 0.600 0.600 peak 1677 weight 0.10000E+01 volume 0.11998E-01 ppm1 8.582 ppm2 5.395 CV 1
ASSI { 1679}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HA1 ))
2.900 1.000 1.000 peak 1679 weight 0.10000E+01 volume 0.31883E-02 ppm1 8.581 ppm2 4.251 CV 1
ASSI { 1680}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 35 and name HB2 ))
3.300 1.300 1.300 peak 1680 weight 0.10000E+01 volume 0.87103E-03 ppm1 8.583 ppm2 1.946 CV 1
ASSI { 1681}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HB ))
3.200 1.300 1.300 peak 1681 weight 0.10000E+01 volume 0.17230E-02 ppm1 8.582 ppm2 1.821 CV 1
ASSI { 1682}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 56 and name HG3 ))
3.100 1.200 1.200 peak 1682 weight 0.10000E+01 volume 0.11960E-02 ppm1 8.582 ppm2 1.533 CV 1
ASSI { 1686}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 57 and name HA1 ))
4.200 2.200 1.800 peak 1686 weight 0.10000E+01 volume 0.31903E-03 ppm1 8.577 ppm2 4.883 CV 1
ASSI { 1687}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 35 and name HA ))
4.400 2.400 1.600 peak 1687 weight 0.10000E+01 volume 0.44543E-03 ppm1 8.581 ppm2 4.563 CV 1
ASSI { 1688}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HA2 ))
2.700 0.900 0.900 peak 1688 weight 0.10000E+01 volume 0.28328E-02 ppm1 8.580 ppm2 4.051 CV 1
ASSI { 1689}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 57 and name HA2 ))
4.400 2.400 1.600 peak 1689 weight 0.10000E+01 volume 0.31328E-03 ppm1 8.577 ppm2 3.775 CV 1
ASSI { 1690}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 35 and name HG ))
4.700 2.700 1.300 peak 1690 weight 0.10000E+01 volume 0.38170E-03 ppm1 8.579 ppm2 1.384 CV 1
ASSI { 1691}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 56 and name HG2 ))
3.600 1.600 1.600 peak 1691 weight 0.10000E+01 volume 0.10647E-02 ppm1 8.581 ppm2 0.579 CV 1
ASSI { 1700}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 68 and name HN ))
4.400 2.400 1.600 peak 1700 weight 0.10000E+01 volume 0.37442E-03 ppm1 8.665 ppm2 9.453 CV 1
ASSI { 1704}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 46 and name HB ))
4.200 2.200 1.800 peak 1704 weight 0.10000E+01 volume 0.43269E-03 ppm1 8.669 ppm2 4.036 CV 1
ASSI { 1705}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HA2 ))
2.800 1.000 1.000 peak 1705 weight 0.10000E+01 volume 0.24025E-02 ppm1 8.665 ppm2 3.785 CV 1
ASSI { 1729}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HA ))
3.200 1.300 1.300 peak 1729 weight 0.10000E+01 volume 0.10484E-02 ppm1 8.290 ppm2 4.035 CV 1
ASSI { 1730}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HA1 ))
3.400 1.400 1.400 peak 1730 weight 0.10000E+01 volume 0.10407E-02 ppm1 8.290 ppm2 3.652 CV 1
OR { 1730}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HA2 ))
ASSI { 1736}
(( segid " " and resid 19 and name HE22))
(( segid " " and resid 73 and name HN ))
3.700 1.700 1.700 peak 1736 weight 0.10000E+01 volume 0.94319E-03 ppm1 7.232 ppm2 7.386 CV 1
ASSI { 1743}
(( segid " " and resid 19 and name HE22))
(( segid " " and resid 19 and name HG3 ))
3.200 1.300 1.300 peak 1743 weight 0.10000E+01 volume 0.94869E-03 ppm1 7.234 ppm2 2.193 CV 1
ASSI { 1748}
(( segid " " and resid 19 and name HE21))
(( segid " " and resid 73 and name HN ))
3.900 1.900 1.900 peak 1748 weight 0.10000E+01 volume 0.50916E-03 ppm1 6.707 ppm2 7.384 CV 1
ASSI { 1749}
(( segid " " and resid 19 and name HE21))
(( segid " " and resid 19 and name HE22))
1.800 0.400 0.400 peak 1749 weight 0.10000E+01 volume 0.21313E-01 ppm1 6.711 ppm2 7.228 CV 1
ASSI { 1759}
(( segid " " and resid 71 and name HD21))
(( segid " " and resid 71 and name HB3 ))
4.100 2.100 1.900 peak 1759 weight 0.10000E+01 volume 0.53149E-03 ppm1 7.333 ppm2 2.640 CV 1
ASSI { 1763}
(( segid " " and resid 71 and name HD22))
(( segid " " and resid 71 and name HD21))
2.400 0.700 0.700 peak 1763 weight 0.10000E+01 volume 0.30896E-02 ppm1 6.601 ppm2 7.328 CV 1
ASSI { 1766}
(( segid " " and resid 71 and name HD22))
(( segid " " and resid 71 and name HB3 ))
4.800 2.800 1.200 peak 1766 weight 0.10000E+01 volume 0.46690E-03 ppm1 6.596 ppm2 2.670 CV 1
ASSI { 1768}
(( segid " " and resid 71 and name HD21))
(( segid " " and resid 71 and name HB2 ))
3.600 1.600 1.600 peak 1768 weight 0.10000E+01 volume 0.38707E-03 ppm1 7.329 ppm2 3.162 CV 1
ASSI { 1769}
(( segid " " and resid 71 and name HD22))
(( segid " " and resid 71 and name HB2 ))
4.700 2.800 1.300 peak 1769 weight 0.10000E+01 volume 0.45933E-03 ppm1 6.606 ppm2 3.152 CV 1
ASSI { 1776}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB3 ))
4.100 2.100 1.900 peak 1776 weight 0.10000E+01 volume 0.56819E-03 ppm1 8.247 ppm2 1.591 CV 1
ASSI { 1780}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HA ))
4.700 2.800 1.300 peak 1780 weight 0.10000E+01 volume 0.40480E-03 ppm1 8.230 ppm2 4.605 CV 1
ASSI { 1781}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
3.200 1.200 1.200 peak 1781 weight 0.10000E+01 volume 0.13139E-02 ppm1 8.239 ppm2 4.321 CV 1
ASSI { 1782}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA1 ))
2.900 1.100 1.100 peak 1782 weight 0.10000E+01 volume 0.24131E-02 ppm1 8.239 ppm2 3.915 CV 1
OR { 1782}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA2 ))
ASSI { 1789}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 67 and name HD1 ))
3.500 1.500 1.500 peak 1789 weight 0.10000E+01 volume 0.83806E-03 ppm1 8.574 ppm2 7.523 CV 1
ASSI { 1792}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA1 ))
2.900 1.000 1.000 peak 1792 weight 0.10000E+01 volume 0.50973E-02 ppm1 8.571 ppm2 4.293 CV 1
ASSI { 1793}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA2 ))
2.600 0.800 0.800 peak 1793 weight 0.10000E+01 volume 0.47983E-02 ppm1 8.572 ppm2 3.928 CV 1
ASSI { 1794}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HN ))
4.200 2.200 1.800 peak 1794 weight 0.10000E+01 volume 0.43546E-03 ppm1 8.566 ppm2 6.600 CV 1
ASSI { 1803}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 34 and name HN ))
4.600 2.600 1.400 peak 1803 weight 0.10000E+01 volume 0.54394E-03 ppm1 8.567 ppm2 7.934 CV 1
ASSI { 1809}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 18 and name HN ))
4.300 2.300 1.700 peak 1809 weight 0.10000E+01 volume 0.40614E-03 ppm1 7.362 ppm2 8.796 CV 1
ASSI { 1814}
(( segid " " and resid 73 and name HN ))
( segid " " and resid 18 and name HD% )
3.900 1.900 1.900 peak 1814 weight 0.10000E+01 volume 0.62444E-03 ppm1 7.364 ppm2 6.906 CV 1
ASSI { 1815}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HA ))
2.800 1.000 1.000 peak 1815 weight 0.10000E+01 volume 0.25961E-02 ppm1 7.365 ppm2 5.334 CV 1
ASSI { 1816}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 71 and name HA ))
3.400 1.500 1.500 peak 1816 weight 0.10000E+01 volume 0.10350E-02 ppm1 7.368 ppm2 4.513 CV 1
ASSI { 1817}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HA ))
3.000 1.100 1.100 peak 1817 weight 0.10000E+01 volume 0.22521E-02 ppm1 7.365 ppm2 3.946 CV 1
ASSI { 1818}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 70 and name HA ))
3.900 1.900 1.900 peak 1818 weight 0.10000E+01 volume 0.45367E-03 ppm1 7.364 ppm2 3.382 CV 1
ASSI { 1820}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HB3 ))
3.600 1.600 1.600 peak 1820 weight 0.10000E+01 volume 0.69297E-03 ppm1 7.365 ppm2 2.550 CV 1
ASSI { 1821}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HB ))
3.700 1.700 1.700 peak 1821 weight 0.10000E+01 volume 0.11347E-02 ppm1 7.362 ppm2 2.070 CV 1
ASSI { 1823}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HB2 ))
3.600 1.600 1.600 peak 1823 weight 0.10000E+01 volume 0.11098E-02 ppm1 7.365 ppm2 1.457 CV 1
ASSI { 1827}
(( segid " " and resid 73 and name HN ))
( segid " " and resid 73 and name HG1%)
2.900 1.100 1.100 peak 1827 weight 0.10000E+01 volume 0.31855E-02 ppm1 7.365 ppm2 0.558 CV 1
ASSI { 1856}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 59 and name HD22))
4.200 2.200 1.800 peak 1856 weight 0.10000E+01 volume 0.31453E-03 ppm1 7.001 ppm2 8.276 CV 1
ASSI { 1858}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 59 and name HD21))
4.000 2.000 2.000 peak 1858 weight 0.10000E+01 volume 0.53504E-03 ppm1 7.002 ppm2 7.180 CV 1
ASSI { 1864}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 63 and name HA ))
4.000 2.000 2.000 peak 1864 weight 0.10000E+01 volume 0.19138E-02 ppm1 6.998 ppm2 4.211 CV 1
ASSI { 1865}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 59 and name HB3 ))
3.800 1.800 1.800 peak 1865 weight 0.10000E+01 volume 0.11529E-02 ppm1 7.000 ppm2 3.457 CV 1
ASSI { 1866}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 59 and name HB2 ))
3.600 1.600 1.600 peak 1866 weight 0.10000E+01 volume 0.49431E-03 ppm1 7.001 ppm2 2.419 CV 1
ASSI { 1867}
(( segid " " and resid 62 and name HN ))
( segid " " and resid 61 and name HB% )
2.700 0.900 0.900 peak 1867 weight 0.10000E+01 volume 0.47207E-02 ppm1 6.998 ppm2 1.537 CV 1
ASSI { 1870}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 63 and name HB2 ))
5.100 3.300 0.900 peak 1870 weight 0.10000E+01 volume 0.33226E-03 ppm1 6.992 ppm2 2.847 CV 1
ASSI { 1889}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA ))
3.400 1.500 1.500 peak 1889 weight 0.10000E+01 volume 0.11624E-02 ppm1 6.603 ppm2 3.995 CV 1
ASSI { 1890}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HA2 ))
3.100 1.200 1.200 peak 1890 weight 0.10000E+01 volume 0.20499E-02 ppm1 6.603 ppm2 3.881 CV 1
ASSI { 1892}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB3 ))
2.900 1.000 1.000 peak 1892 weight 0.10000E+01 volume 0.21821E-02 ppm1 6.603 ppm2 2.073 CV 1
ASSI { 1893}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB2 ))
3.100 1.200 1.200 peak 1893 weight 0.10000E+01 volume 0.19204E-02 ppm1 6.604 ppm2 1.286 CV 1
ASSI { 1895}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HA1 ))
3.100 1.200 1.200 peak 1895 weight 0.10000E+01 volume 0.15812E-02 ppm1 6.602 ppm2 4.268 CV 1
ASSI { 45}
(( segid " " and resid 75 and name HD2 ))
(( segid " " and resid 75 and name HD3 ))
1.900 0.400 0.400 peak 45 weight 0.10000E+01 volume 0.12963E-01 ppm1 4.047 ppm2 3.661 CV 1
ASSI { 46}
(( segid " " and resid 75 and name HD2 ))
(( segid " " and resid 74 and name HB2 ))
2.800 1.000 1.000 peak 46 weight 0.10000E+01 volume 0.22887E-02 ppm1 4.050 ppm2 3.258 CV 1
ASSI { 47}
(( segid " " and resid 75 and name HD2 ))
(( segid " " and resid 75 and name HG2 ))
2.600 0.800 0.800 peak 47 weight 0.10000E+01 volume 0.33088E-02 ppm1 4.043 ppm2 2.213 CV 1
ASSI { 48}
(( segid " " and resid 75 and name HD2 ))
(( segid " " and resid 75 and name HG3 ))
3.100 1.200 1.200 peak 48 weight 0.10000E+01 volume 0.31257E-02 ppm1 4.050 ppm2 1.952 CV 1
ASSI { 51}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 39 and name HG2 ))
3.200 1.300 1.300 peak 51 weight 0.10000E+01 volume 0.29121E-02 ppm1 3.747 ppm2 1.628 CV 1
ASSI { 52}
(( segid " " and resid 75 and name HD3 ))
(( segid " " and resid 74 and name HA ))
2.500 0.800 0.800 peak 52 weight 0.10000E+01 volume 0.49893E-02 ppm1 3.664 ppm2 5.394 CV 1
ASSI { 54}
(( segid " " and resid 75 and name HD3 ))
(( segid " " and resid 74 and name HB2 ))
3.400 1.400 1.400 peak 54 weight 0.10000E+01 volume 0.35028E-02 ppm1 3.661 ppm2 3.261 CV 1
ASSI { 71}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HD3 ))
1.800 0.400 0.400 peak 71 weight 0.10000E+01 volume 0.20825E-01 ppm1 3.867 ppm2 3.666 CV 1
ASSI { 72}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HB2 ))
4.000 2.000 2.000 peak 72 weight 0.10000E+01 volume 0.13961E-02 ppm1 3.866 ppm2 2.621 CV 1
ASSI { 73}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HG2 ))
2.500 0.800 0.800 peak 73 weight 0.10000E+01 volume 0.66416E-02 ppm1 3.868 ppm2 2.206 CV 1
OR { 73}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HG3 ))
ASSI { 74}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 12 and name HB2 ))
3.300 1.400 1.400 peak 74 weight 0.10000E+01 volume 0.18552E-02 ppm1 3.820 ppm2 1.468 CV 1
ASSI { 77}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 13 and name HD3 ))
1.800 0.400 0.400 peak 77 weight 0.10000E+01 volume 0.15676E-01 ppm1 3.817 ppm2 3.552 CV 1
ASSI { 81}
(( segid " " and resid 26 and name HD3 ))
(( segid " " and resid 25 and name HA ))
2.200 0.600 0.600 peak 81 weight 0.10000E+01 volume 0.86491E-02 ppm1 3.805 ppm2 5.135 CV 1
OR { 81}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 25 and name HA ))
ASSI { 83}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 26 and name HG2 ))
2.500 0.800 0.800 peak 83 weight 0.10000E+01 volume 0.60443E-02 ppm1 3.804 ppm2 2.117 CV 1
OR { 83}
(( segid " " and resid 26 and name HD3 ))
(( segid " " and resid 26 and name HG2 ))
ASSI { 86}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 38 and name HA ))
2.600 0.800 0.800 peak 86 weight 0.10000E+01 volume 0.63495E-02 ppm1 3.744 ppm2 5.260 CV 1
ASSI { 87}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 38 and name HB3 ))
2.900 1.000 1.000 peak 87 weight 0.10000E+01 volume 0.25764E-02 ppm1 3.743 ppm2 2.565 CV 1
ASSI { 89}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 25 and name HB3 ))
3.200 1.300 1.300 peak 89 weight 0.10000E+01 volume 0.19770E-02 ppm1 3.671 ppm2 2.392 CV 1
ASSI { 90}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 25 and name HG3 ))
2.300 0.700 0.700 peak 90 weight 0.10000E+01 volume 0.98069E-02 ppm1 3.671 ppm2 2.212 CV 1
OR { 90}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 25 and name HG2 ))
ASSI { 92}
(( segid " " and resid 25 and name HD3 ))
( segid " " and resid 24 and name HG2%)
3.400 1.400 1.400 peak 92 weight 0.10000E+01 volume 0.98826E-03 ppm1 3.662 ppm2 0.901 CV 1
ASSI { 94}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 38 and name HB3 ))
3.500 1.600 1.600 peak 94 weight 0.10000E+01 volume 0.21994E-02 ppm1 3.639 ppm2 2.568 CV 1
ASSI { 95}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 38 and name HA ))
2.200 0.600 0.600 peak 95 weight 0.10000E+01 volume 0.71821E-02 ppm1 3.633 ppm2 5.260 CV 1
ASSI { 96}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 38 and name HB2 ))
4.400 2.400 1.600 peak 96 weight 0.10000E+01 volume 0.99421E-03 ppm1 3.633 ppm2 2.809 CV 1
ASSI { 97}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 20 and name HB3 ))
2.600 0.800 0.800 peak 97 weight 0.10000E+01 volume 0.45099E-02 ppm1 3.637 ppm2 1.972 CV 1
OR { 97}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 98}
(( segid " " and resid 39 and name HD3 ))
(( segid " " and resid 39 and name HG2 ))
2.600 0.800 0.800 peak 98 weight 0.10000E+01 volume 0.27966E-02 ppm1 3.633 ppm2 1.626 CV 1
ASSI { 99}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 13 and name HB2 ))
4.100 2.100 1.900 peak 99 weight 0.10000E+01 volume 0.10754E-02 ppm1 3.560 ppm2 2.330 CV 1
ASSI { 101}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 12 and name HA ))
2.200 0.600 0.600 peak 101 weight 0.10000E+01 volume 0.68661E-02 ppm1 3.551 ppm2 4.582 CV 1
ASSI { 104}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 13 and name HG3 ))
2.500 0.800 0.800 peak 104 weight 0.10000E+01 volume 0.49959E-02 ppm1 3.551 ppm2 1.964 CV 1
OR { 104}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 13 and name HG2 ))
ASSI { 130}
(( segid " " and resid 26 and name HD3 ))
(( segid " " and resid 24 and name HA ))
3.100 1.200 1.200 peak 130 weight 0.10000E+01 volume 0.33546E-02 ppm1 3.804 ppm2 4.259 CV 1
OR { 130}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 24 and name HA ))
ASSI { 131}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 12 and name HB2 ))
3.600 1.600 1.600 peak 131 weight 0.10000E+01 volume 0.25437E-02 ppm1 3.549 ppm2 1.461 CV 1
ASSI { 145}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB3 ))
2.600 0.800 0.800 peak 145 weight 0.10000E+01 volume 0.51441E-02 ppm1 5.260 ppm2 2.563 CV 1
ASSI { 146}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HG3 ))
4.800 2.800 1.200 peak 146 weight 0.10000E+01 volume 0.87646E-03 ppm1 5.264 ppm2 2.316 CV 1
ASSI { 147}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 20 and name HB3 ))
3.100 1.200 1.200 peak 147 weight 0.10000E+01 volume 0.26026E-02 ppm1 5.259 ppm2 1.990 CV 1
OR { 147}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 148}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HG2 ))
4.600 2.600 1.400 peak 148 weight 0.10000E+01 volume 0.99006E-03 ppm1 5.260 ppm2 1.624 CV 1
ASSI { 165}
(( segid " " and resid 27 and name HD2 ))
( segid " " and resid 34 and name HD% )
4.200 2.200 1.800 peak 165 weight 0.10000E+01 volume 0.10596E-02 ppm1 4.126 ppm2 7.197 CV 1
ASSI { 167}
(( segid " " and resid 27 and name HD2 ))
(( segid " " and resid 26 and name HA ))
2.600 0.800 0.800 peak 167 weight 0.10000E+01 volume 0.72170E-02 ppm1 4.122 ppm2 4.692 CV 1
ASSI { 169}
(( segid " " and resid 27 and name HD2 ))
(( segid " " and resid 27 and name HD3 ))
1.900 0.400 0.400 peak 169 weight 0.10000E+01 volume 0.12357E-01 ppm1 4.123 ppm2 3.678 CV 1
ASSI { 170}
(( segid " " and resid 27 and name HD2 ))
(( segid " " and resid 34 and name HB3 ))
3.800 1.800 1.800 peak 170 weight 0.10000E+01 volume 0.24784E-02 ppm1 4.121 ppm2 3.151 CV 1
ASSI { 171}
(( segid " " and resid 27 and name HD2 ))
(( segid " " and resid 27 and name HA ))
3.500 1.500 1.500 peak 171 weight 0.10000E+01 volume 0.13460E-02 ppm1 4.124 ppm2 2.367 CV 1
ASSI { 172}
(( segid " " and resid 27 and name HD2 ))
(( segid " " and resid 26 and name HB2 ))
3.500 1.500 1.500 peak 172 weight 0.10000E+01 volume 0.14338E-02 ppm1 4.123 ppm2 2.316 CV 1
ASSI { 173}
(( segid " " and resid 27 and name HD2 ))
(( segid " " and resid 27 and name HG2 ))
2.500 0.800 0.800 peak 173 weight 0.10000E+01 volume 0.57130E-02 ppm1 4.124 ppm2 2.102 CV 1
OR { 173}
(( segid " " and resid 27 and name HD2 ))
(( segid " " and resid 27 and name HG3 ))
ASSI { 175}
(( segid " " and resid 27 and name HD3 ))
(( segid " " and resid 27 and name HB2 ))
3.800 1.800 1.800 peak 175 weight 0.10000E+01 volume 0.16095E-02 ppm1 3.684 ppm2 1.407 CV 1
ASSI { 176}
(( segid " " and resid 27 and name HD3 ))
(( segid " " and resid 26 and name HA ))
2.300 0.700 0.700 peak 176 weight 0.10000E+01 volume 0.54362E-02 ppm1 3.680 ppm2 4.694 CV 1
ASSI { 178}
(( segid " " and resid 27 and name HD3 ))
(( segid " " and resid 34 and name HB3 ))
3.700 1.700 1.700 peak 178 weight 0.10000E+01 volume 0.13987E-02 ppm1 3.674 ppm2 3.160 CV 1
ASSI { 179}
(( segid " " and resid 27 and name HD3 ))
(( segid " " and resid 27 and name HG3 ))
2.400 0.700 0.700 peak 179 weight 0.10000E+01 volume 0.58569E-02 ppm1 3.680 ppm2 2.102 CV 1
OR { 179}
(( segid " " and resid 27 and name HD3 ))
(( segid " " and resid 27 and name HG2 ))
ASSI { 196}
(( segid " " and resid 69 and name HD2 ))
(( segid " " and resid 69 and name HG3 ))
3.500 1.500 1.500 peak 196 weight 0.10000E+01 volume 0.19066E-02 ppm1 2.446 ppm2 0.870 CV 1
ASSI { 217}
(( segid " " and resid 69 and name HD2 ))
( segid " " and resid 68 and name HD% )
2.800 1.000 1.000 peak 217 weight 0.10000E+01 volume 0.27574E-02 ppm1 2.437 ppm2 7.040 CV 1
ASSI { 218}
(( segid " " and resid 69 and name HD2 ))
(( segid " " and resid 68 and name HA ))
3.200 1.300 1.300 peak 218 weight 0.10000E+01 volume 0.41305E-02 ppm1 2.443 ppm2 5.295 CV 1
ASSI { 221}
(( segid " " and resid 69 and name HD2 ))
(( segid " " and resid 69 and name HB2 ))
3.400 1.400 1.400 peak 221 weight 0.10000E+01 volume 0.11890E-02 ppm1 2.436 ppm2 1.485 CV 1
ASSI { 222}
(( segid " " and resid 69 and name HD2 ))
(( segid " " and resid 72 and name HG2 ))
3.200 1.300 1.300 peak 222 weight 0.10000E+01 volume 0.11343E-02 ppm1 2.441 ppm2 1.384 CV 1
ASSI { 223}
(( segid " " and resid 69 and name HD2 ))
(( segid " " and resid 69 and name HG2 ))
2.700 0.900 0.900 peak 223 weight 0.10000E+01 volume 0.30211E-02 ppm1 2.441 ppm2 1.236 CV 1
OR { 223}
(( segid " " and resid 69 and name HD2 ))
(( segid " " and resid 69 and name HB3 ))
ASSI { 232}
(( segid " " and resid 69 and name HD3 ))
(( segid " " and resid 69 and name HG2 ))
3.100 1.200 1.200 peak 232 weight 0.10000E+01 volume 0.29383E-02 ppm1 2.363 ppm2 1.234 CV 1
OR { 232}
(( segid " " and resid 69 and name HD3 ))
(( segid " " and resid 69 and name HB3 ))
ASSI { 233}
(( segid " " and resid 69 and name HD3 ))
(( segid " " and resid 69 and name HG3 ))
2.700 0.900 0.900 peak 233 weight 0.10000E+01 volume 0.20853E-02 ppm1 2.368 ppm2 0.872 CV 1
ASSI { 234}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 54 and name HE3 ))
3.600 1.600 1.600 peak 234 weight 0.10000E+01 volume 0.91587E-03 ppm1 2.225 ppm2 7.248 CV 1
ASSI { 235}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HB3 ))
3.600 1.600 1.600 peak 235 weight 0.10000E+01 volume 0.13157E-02 ppm1 2.225 ppm2 2.016 CV 1
ASSI { 236}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 27 and name HA ))
2.500 0.800 0.800 peak 236 weight 0.10000E+01 volume 0.67091E-02 ppm1 2.220 ppm2 2.368 CV 1
ASSI { 238}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HD2 ))
1.800 0.400 0.400 peak 238 weight 0.10000E+01 volume 0.16058E-01 ppm1 2.219 ppm2 1.672 CV 1
ASSI { 239}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HG2 ))
2.900 1.100 1.100 peak 239 weight 0.10000E+01 volume 0.54079E-02 ppm1 2.219 ppm2 1.382 CV 1
ASSI { 240}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HB2 ))
4.200 2.200 1.800 peak 240 weight 0.10000E+01 volume 0.10384E-02 ppm1 2.220 ppm2 1.155 CV 1
ASSI { 241}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 27 and name HA ))
2.600 0.800 0.800 peak 241 weight 0.10000E+01 volume 0.36685E-02 ppm1 1.687 ppm2 2.371 CV 1
ASSI { 244}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HG2 ))
2.300 0.600 0.600 peak 244 weight 0.10000E+01 volume 0.71233E-02 ppm1 1.683 ppm2 1.382 CV 1
ASSI { 246}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HA ))
3.400 1.400 1.400 peak 246 weight 0.10000E+01 volume 0.12560E-02 ppm1 1.679 ppm2 4.037 CV 1
ASSI { 247}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HB2 ))
3.400 1.400 1.400 peak 247 weight 0.10000E+01 volume 0.22669E-02 ppm1 1.679 ppm2 1.147 CV 1
ASSI { 248}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HB3 ))
3.900 1.900 1.900 peak 248 weight 0.10000E+01 volume 0.14687E-02 ppm1 1.670 ppm2 2.010 CV 1
ASSI { 393}
(( segid " " and resid 57 and name HA1 ))
(( segid " " and resid 45 and name HA ))
2.900 1.000 1.000 peak 393 weight 0.10000E+01 volume 0.37491E-02 ppm1 4.898 ppm2 4.462 CV 1
ASSI { 397}
(( segid " " and resid 57 and name HA1 ))
(( segid " " and resid 57 and name HA2 ))
1.800 0.400 0.400 peak 397 weight 0.10000E+01 volume 0.18950E-01 ppm1 4.897 ppm2 3.785 CV 1
ASSI { 398}
(( segid " " and resid 57 and name HA1 ))
( segid " " and resid 46 and name HG2%)
2.900 1.000 1.000 peak 398 weight 0.10000E+01 volume 0.29077E-02 ppm1 4.896 ppm2 0.980 CV 1
ASSI { 412}
(( segid " " and resid 57 and name HA2 ))
(( segid " " and resid 45 and name HA ))
2.800 1.000 1.000 peak 412 weight 0.10000E+01 volume 0.38297E-02 ppm1 3.787 ppm2 4.459 CV 1
ASSI { 441}
(( segid " " and resid 66 and name HA1 ))
(( segid " " and resid 35 and name HA ))
4.300 2.300 1.700 peak 441 weight 0.10000E+01 volume 0.89303E-03 ppm1 4.247 ppm2 4.548 CV 1
ASSI { 442}
(( segid " " and resid 66 and name HA1 ))
(( segid " " and resid 66 and name HA2 ))
1.800 0.400 0.400 peak 442 weight 0.10000E+01 volume 0.16664E-01 ppm1 4.241 ppm2 4.064 CV 1
ASSI { 443}
(( segid " " and resid 66 and name HA1 ))
(( segid " " and resid 35 and name HB3 ))
4.200 2.200 1.800 peak 443 weight 0.10000E+01 volume 0.15838E-02 ppm1 4.238 ppm2 0.917 CV 1
ASSI { 446}
(( segid " " and resid 66 and name HA2 ))
(( segid " " and resid 67 and name HD1 ))
4.100 2.100 1.900 peak 446 weight 0.10000E+01 volume 0.10195E-02 ppm1 4.069 ppm2 7.529 CV 1
ASSI { 479}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 59 and name HB3 ))
3.900 1.900 1.900 peak 479 weight 0.10000E+01 volume 0.11613E-02 ppm1 1.952 ppm2 3.447 CV 1
ASSI { 481}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HG ))
3.000 1.100 1.100 peak 481 weight 0.10000E+01 volume 0.25525E-02 ppm1 1.948 ppm2 1.376 CV 1
ASSI { 483}
(( segid " " and resid 35 and name HB2 ))
( segid " " and resid 35 and name HD2%)
2.600 0.800 0.800 peak 483 weight 0.10000E+01 volume 0.39278E-02 ppm1 1.950 ppm2 0.703 CV 1
ASSI { 484}
(( segid " " and resid 35 and name HB2 ))
( segid " " and resid 37 and name HD1%)
4.100 2.100 1.900 peak 484 weight 0.10000E+01 volume 0.91245E-03 ppm1 1.950 ppm2 0.367 CV 1
ASSI { 485}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 66 and name HA2 ))
3.000 1.100 1.100 peak 485 weight 0.10000E+01 volume 0.10282E-02 ppm1 1.941 ppm2 4.075 CV 1
ASSI { 487}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HG ))
3.000 1.100 1.100 peak 487 weight 0.10000E+01 volume 0.21198E-02 ppm1 1.846 ppm2 2.021 CV 1
ASSI { 489}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HB2 ))
2.100 0.500 0.500 peak 489 weight 0.10000E+01 volume 0.72562E-02 ppm1 1.847 ppm2 1.492 CV 1
ASSI { 490}
(( segid " " and resid 37 and name HB3 ))
( segid " " and resid 17 and name HG1%)
3.300 1.400 1.400 peak 490 weight 0.10000E+01 volume 0.19055E-02 ppm1 1.843 ppm2 0.842 CV 1
ASSI { 495}
(( segid " " and resid 37 and name HB2 ))
( segid " " and resid 17 and name HG2%)
2.700 0.900 0.900 peak 495 weight 0.10000E+01 volume 0.39823E-02 ppm1 1.496 ppm2 0.527 CV 1
ASSI { 498}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HA ))
3.000 1.100 1.100 peak 498 weight 0.10000E+01 volume 0.32870E-02 ppm1 0.935 ppm2 4.564 CV 1
ASSI { 499}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HG ))
2.900 1.100 1.100 peak 499 weight 0.10000E+01 volume 0.20492E-02 ppm1 0.936 ppm2 1.371 CV 1
ASSI { 502}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 66 and name HA2 ))
3.300 1.400 1.400 peak 502 weight 0.10000E+01 volume 0.17538E-02 ppm1 0.930 ppm2 4.069 CV 1
ASSI { 503}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HB2 ))
1.900 0.400 0.400 peak 503 weight 0.10000E+01 volume 0.10923E-01 ppm1 0.930 ppm2 1.955 CV 1
ASSI { 504}
(( segid " " and resid 35 and name HB3 ))
( segid " " and resid 35 and name HD2%)
3.200 1.300 1.300 peak 504 weight 0.10000E+01 volume 0.42395E-02 ppm1 0.928 ppm2 0.694 CV 1
ASSI { 524}
(( segid " " and resid 33 and name HA1 ))
(( segid " " and resid 33 and name HA2 ))
1.700 0.400 0.500 peak 524 weight 0.10000E+01 volume 0.28925E-01 ppm1 4.325 ppm2 3.949 CV 1
ASSI { 526}
(( segid " " and resid 32 and name HA1 ))
(( segid " " and resid 32 and name HA2 ))
1.800 0.400 0.400 peak 526 weight 0.10000E+01 volume 0.25503E-01 ppm1 4.267 ppm2 3.883 CV 1
ASSI { 540}
(( segid " " and resid 37 and name HB2 ))
( segid " " and resid 17 and name HG1%)
2.900 1.000 1.000 peak 540 weight 0.10000E+01 volume 0.27181E-02 ppm1 1.492 ppm2 0.844 CV 1
ASSI { 558}
(( segid " " and resid 40 and name HA2 ))
(( segid " " and resid 40 and name HA1 ))
1.800 0.400 0.400 peak 558 weight 0.10000E+01 volume 0.26375E-01 ppm1 4.475 ppm2 3.693 CV 1
ASSI { 559}
(( segid " " and resid 40 and name HA2 ))
(( segid " " and resid 16 and name HG2 ))
3.300 1.400 1.400 peak 559 weight 0.10000E+01 volume 0.14569E-02 ppm1 4.476 ppm2 2.014 CV 1
OR { 559}
(( segid " " and resid 40 and name HA2 ))
(( segid " " and resid 16 and name HB3 ))
OR { 559}
(( segid " " and resid 40 and name HA2 ))
(( segid " " and resid 16 and name HG3 ))
ASSI { 565}
(( segid " " and resid 40 and name HA1 ))
(( segid " " and resid 16 and name HG2 ))
3.600 1.700 1.700 peak 565 weight 0.10000E+01 volume 0.18961E-02 ppm1 3.690 ppm2 2.006 CV 1
OR { 565}
(( segid " " and resid 40 and name HA1 ))
(( segid " " and resid 16 and name HB3 ))
ASSI { 607}
(( segid " " and resid 23 and name HA1 ))
( segid " " and resid 34 and name HD% )
3.000 1.100 1.100 peak 607 weight 0.10000E+01 volume 0.25634E-02 ppm1 2.414 ppm2 7.183 CV 1
OR { 607}
(( segid " " and resid 23 and name HA2 ))
( segid " " and resid 34 and name HD% )
ASSI { 608}
(( segid " " and resid 23 and name HA1 ))
( segid " " and resid 34 and name HE% )
3.700 1.700 1.700 peak 608 weight 0.10000E+01 volume 0.10955E-02 ppm1 2.414 ppm2 7.029 CV 1
OR { 608}
(( segid " " and resid 23 and name HA2 ))
( segid " " and resid 34 and name HE% )
ASSI { 609}
(( segid " " and resid 23 and name HA2 ))
(( segid " " and resid 22 and name HA ))
3.800 1.800 1.800 peak 609 weight 0.10000E+01 volume 0.13570E-02 ppm1 2.413 ppm2 4.706 CV 1
OR { 609}
(( segid " " and resid 23 and name HA1 ))
(( segid " " and resid 22 and name HA ))
ASSI { 610}
(( segid " " and resid 23 and name HA1 ))
(( segid " " and resid 34 and name HZ ))
3.800 1.800 1.800 peak 610 weight 0.10000E+01 volume 0.10731E-02 ppm1 2.407 ppm2 7.793 CV 1
OR { 610}
(( segid " " and resid 23 and name HA2 ))
(( segid " " and resid 34 and name HZ ))
ASSI { 611}
(( segid " " and resid 23 and name HA1 ))
(( segid " " and resid 34 and name HB2 ))
3.400 1.500 1.500 peak 611 weight 0.10000E+01 volume 0.16930E-02 ppm1 2.403 ppm2 3.899 CV 1
OR { 611}
(( segid " " and resid 23 and name HA2 ))
(( segid " " and resid 34 and name HB2 ))
ASSI { 612}
(( segid " " and resid 23 and name HA1 ))
(( segid " " and resid 34 and name HB3 ))
3.200 1.300 1.300 peak 612 weight 0.10000E+01 volume 0.16215E-02 ppm1 2.408 ppm2 3.151 CV 1
OR { 612}
(( segid " " and resid 23 and name HA2 ))
(( segid " " and resid 34 and name HB3 ))
ASSI { 667}
(( segid " " and resid 36 and name HD2 ))
( segid " " and resid 22 and name HD% )
3.400 1.400 1.400 peak 667 weight 0.10000E+01 volume 0.11945E-02 ppm1 3.343 ppm2 6.968 CV 1
OR { 667}
(( segid " " and resid 36 and name HD3 ))
( segid " " and resid 22 and name HD% )
ASSI { 699}
(( segid " " and resid 58 and name HD2 ))
(( segid " " and resid 58 and name HA ))
4.100 2.100 1.900 peak 699 weight 0.10000E+01 volume 0.92381E-03 ppm1 3.233 ppm2 5.389 CV 1
ASSI { 732}
(( segid " " and resid 58 and name HD2 ))
(( segid " " and resid 63 and name HA ))
3.200 1.300 1.300 peak 732 weight 0.10000E+01 volume 0.14164E-02 ppm1 3.244 ppm2 4.214 CV 1
ASSI { 733}
(( segid " " and resid 58 and name HD2 ))
(( segid " " and resid 58 and name HD3 ))
1.500 0.300 0.700 peak 733 weight 0.10000E+01 volume 0.46690E-01 ppm1 3.242 ppm2 3.055 CV 1
ASSI { 734}
(( segid " " and resid 58 and name HD2 ))
(( segid " " and resid 58 and name HB2 ))
3.400 1.400 1.400 peak 734 weight 0.10000E+01 volume 0.24827E-02 ppm1 3.237 ppm2 1.505 CV 1
ASSI { 735}
(( segid " " and resid 58 and name HD2 ))
(( segid " " and resid 58 and name HG3 ))
2.600 0.800 0.800 peak 735 weight 0.10000E+01 volume 0.45731E-02 ppm1 3.241 ppm2 1.267 CV 1
ASSI { 736}
(( segid " " and resid 58 and name HD2 ))
(( segid " " and resid 58 and name HG2 ))
2.600 0.800 0.800 peak 736 weight 0.10000E+01 volume 0.40804E-02 ppm1 3.241 ppm2 1.015 CV 1
ASSI { 737}
(( segid " " and resid 58 and name HD2 ))
( segid " " and resid 65 and name HG1%)
3.500 1.500 1.500 peak 737 weight 0.10000E+01 volume 0.15711E-02 ppm1 3.234 ppm2 0.836 CV 1
ASSI { 740}
(( segid " " and resid 58 and name HD3 ))
(( segid " " and resid 58 and name HG3 ))
2.700 0.900 0.900 peak 740 weight 0.10000E+01 volume 0.48281E-02 ppm1 3.061 ppm2 1.272 CV 1
ASSI { 741}
(( segid " " and resid 58 and name HD3 ))
(( segid " " and resid 58 and name HG2 ))
2.600 0.800 0.800 peak 741 weight 0.10000E+01 volume 0.44226E-02 ppm1 3.059 ppm2 1.018 CV 1
ASSI { 742}
(( segid " " and resid 58 and name HD3 ))
(( segid " " and resid 58 and name HA ))
3.900 1.900 1.900 peak 742 weight 0.10000E+01 volume 0.99872E-03 ppm1 3.057 ppm2 5.385 CV 1
ASSI { 743}
(( segid " " and resid 58 and name HD3 ))
(( segid " " and resid 58 and name HB2 ))
3.200 1.300 1.300 peak 743 weight 0.10000E+01 volume 0.25895E-02 ppm1 3.050 ppm2 1.505 CV 1
ASSI { 750}
(( segid " " and resid 10 and name HB3 ))
( segid " " and resid 10 and name HD2%)
2.800 1.000 1.000 peak 750 weight 0.10000E+01 volume 0.36859E-02 ppm1 1.696 ppm2 0.869 CV 1
OR { 750}
(( segid " " and resid 10 and name HB3 ))
( segid " " and resid 10 and name HD1%)
ASSI { 775}
(( segid " " and resid 72 and name HD3 ))
(( segid " " and resid 72 and name HA ))
2.900 1.000 1.000 peak 775 weight 0.10000E+01 volume 0.47213E-02 ppm1 2.946 ppm2 3.950 CV 1
ASSI { 776}
(( segid " " and resid 72 and name HD3 ))
(( segid " " and resid 72 and name HB2 ))
3.700 1.700 1.700 peak 776 weight 0.10000E+01 volume 0.21013E-02 ppm1 2.942 ppm2 2.555 CV 1
ASSI { 777}
(( segid " " and resid 72 and name HD3 ))
(( segid " " and resid 72 and name HD2 ))
1.600 0.300 0.600 peak 777 weight 0.10000E+01 volume 0.25067E-01 ppm1 2.937 ppm2 2.771 CV 1
ASSI { 779}
(( segid " " and resid 72 and name HD3 ))
(( segid " " and resid 72 and name HB3 ))
2.600 0.800 0.800 peak 779 weight 0.10000E+01 volume 0.43616E-02 ppm1 2.938 ppm2 1.488 CV 1
ASSI { 780}
(( segid " " and resid 72 and name HD2 ))
(( segid " " and resid 72 and name HA ))
2.600 0.800 0.800 peak 780 weight 0.10000E+01 volume 0.41240E-02 ppm1 2.777 ppm2 3.951 CV 1
ASSI { 783}
(( segid " " and resid 72 and name HD2 ))
(( segid " " and resid 19 and name HG2 ))
3.000 1.100 1.100 peak 783 weight 0.10000E+01 volume 0.11143E-02 ppm1 2.781 ppm2 2.290 CV 1
ASSI { 784}
(( segid " " and resid 72 and name HD2 ))
(( segid " " and resid 72 and name HG3 ))
2.800 1.000 1.000 peak 784 weight 0.10000E+01 volume 0.23061E-02 ppm1 2.778 ppm2 1.711 CV 1
ASSI { 785}
(( segid " " and resid 72 and name HD2 ))
(( segid " " and resid 72 and name HB3 ))
2.700 0.900 0.900 peak 785 weight 0.10000E+01 volume 0.42548E-02 ppm1 2.778 ppm2 1.488 CV 1
ASSI { 789}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HA ))
2.900 1.100 1.100 peak 789 weight 0.10000E+01 volume 0.39780E-02 ppm1 1.696 ppm2 4.336 CV 1
ASSI { 790}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HA ))
3.100 1.200 1.200 peak 790 weight 0.10000E+01 volume 0.24435E-02 ppm1 1.645 ppm2 4.464 CV 1
ASSI { 791}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HB2 ))
1.800 0.400 0.400 peak 791 weight 0.10000E+01 volume 0.13928E-01 ppm1 1.643 ppm2 1.121 CV 1
ASSI { 792}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 45 and name HD1%)
3.500 1.500 1.500 peak 792 weight 0.10000E+01 volume 0.32717E-02 ppm1 1.642 ppm2 0.480 CV 1
ASSI { 794}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HA ))
2.700 0.900 0.900 peak 794 weight 0.10000E+01 volume 0.34417E-02 ppm1 1.593 ppm2 4.334 CV 1
ASSI { 795}
(( segid " " and resid 10 and name HB2 ))
( segid " " and resid 10 and name HD2%)
3.300 1.400 1.400 peak 795 weight 0.10000E+01 volume 0.35725E-02 ppm1 1.598 ppm2 0.877 CV 1
ASSI { 798}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HA ))
2.600 0.800 0.800 peak 798 weight 0.10000E+01 volume 0.35267E-02 ppm1 1.125 ppm2 4.464 CV 1
ASSI { 802}
(( segid " " and resid 45 and name HB2 ))
( segid " " and resid 45 and name HD2%)
3.400 1.400 1.400 peak 802 weight 0.10000E+01 volume 0.28882E-02 ppm1 1.121 ppm2 0.833 CV 1
ASSI { 841}
(( segid " " and resid 14 and name HE2 ))
(( segid " " and resid 14 and name HD3 ))
2.100 0.500 0.500 peak 841 weight 0.10000E+01 volume 0.18809E-01 ppm1 2.989 ppm2 1.673 CV 1
OR { 841}
(( segid " " and resid 14 and name HE3 ))
(( segid " " and resid 14 and name HD2 ))
OR { 841}
(( segid " " and resid 14 and name HE2 ))
(( segid " " and resid 14 and name HD2 ))
OR { 841}
(( segid " " and resid 14 and name HE3 ))
(( segid " " and resid 14 and name HD3 ))
OR { 841}
(( segid " " and resid 14 and name HE3 ))
(( segid " " and resid 14 and name HG2 ))
ASSI { 845}
(( segid " " and resid 14 and name HE3 ))
(( segid " " and resid 14 and name HG3 ))
2.900 1.000 1.000 peak 845 weight 0.10000E+01 volume 0.41196E-02 ppm1 2.981 ppm2 1.354 CV 1
OR { 845}
(( segid " " and resid 14 and name HE2 ))
(( segid " " and resid 14 and name HG3 ))
ASSI { 849}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HB2 ))
2.100 0.500 0.500 peak 849 weight 0.10000E+01 volume 0.77315E-02 ppm1 2.839 ppm2 3.099 CV 1
ASSI { 885}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 37 and name HD2%)
3.200 1.300 1.300 peak 885 weight 0.10000E+01 volume 0.22298E-02 ppm1 2.832 ppm2 0.477 CV 1
ASSI { 890}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 13 and name HD3 ))
4.100 2.100 1.900 peak 890 weight 0.10000E+01 volume 0.17202E-02 ppm1 1.535 ppm2 3.556 CV 1
ASSI { 893}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 13 and name HD2 ))
4.200 2.200 1.800 peak 893 weight 0.10000E+01 volume 0.11781E-02 ppm1 1.520 ppm2 3.814 CV 1
ASSI { 895}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HB3 ))
1.800 0.400 0.400 peak 895 weight 0.10000E+01 volume 0.18630E-01 ppm1 1.453 ppm2 1.526 CV 1
ASSI { 896}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 12 and name HD1%)
2.800 1.000 1.000 peak 896 weight 0.10000E+01 volume 0.34417E-02 ppm1 1.449 ppm2 0.702 CV 1
ASSI { 933}
(( segid " " and resid 12 and name HB3 ))
( segid " " and resid 12 and name HD2%)
3.000 1.100 1.100 peak 933 weight 0.10000E+01 volume 0.23955E-02 ppm1 1.529 ppm2 0.826 CV 1
ASSI { 953}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 27 and name HD2 ))
3.700 1.700 1.700 peak 953 weight 0.10000E+01 volume 0.11361E-02 ppm1 3.908 ppm2 4.126 CV 1
ASSI { 954}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 34 and name HD% )
2.800 1.000 1.000 peak 954 weight 0.10000E+01 volume 0.33676E-02 ppm1 3.898 ppm2 7.176 CV 1
ASSI { 955}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 34 and name HE% )
3.900 1.900 1.900 peak 955 weight 0.10000E+01 volume 0.16858E-02 ppm1 3.898 ppm2 7.041 CV 1
ASSI { 957}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HB3 ))
2.000 0.500 0.500 peak 957 weight 0.10000E+01 volume 0.93661E-02 ppm1 3.899 ppm2 3.152 CV 1
ASSI { 959}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 27 and name HG3 ))
3.200 1.300 1.300 peak 959 weight 0.10000E+01 volume 0.14208E-02 ppm1 3.903 ppm2 2.093 CV 1
OR { 959}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 27 and name HG2 ))
ASSI { 963}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 18 and name HD% )
2.700 0.900 0.900 peak 963 weight 0.10000E+01 volume 0.38254E-02 ppm1 3.210 ppm2 6.908 CV 1
ASSI { 964}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HA ))
2.400 0.700 0.700 peak 964 weight 0.10000E+01 volume 0.89629E-02 ppm1 3.207 ppm2 5.052 CV 1
ASSI { 965}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HB2 ))
1.700 0.400 0.500 peak 965 weight 0.10000E+01 volume 0.28009E-01 ppm1 3.206 ppm2 2.572 CV 1
ASSI { 967}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HZ ))
4.000 2.000 2.000 peak 967 weight 0.10000E+01 volume 0.11925E-02 ppm1 3.164 ppm2 7.793 CV 1
ASSI { 968}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 34 and name HE% )
4.100 2.100 1.900 peak 968 weight 0.10000E+01 volume 0.12780E-02 ppm1 3.166 ppm2 7.043 CV 1
ASSI { 969}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 34 and name HD% )
2.800 1.000 1.000 peak 969 weight 0.10000E+01 volume 0.33306E-02 ppm1 3.160 ppm2 7.178 CV 1
ASSI { 974}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 27 and name HG3 ))
3.800 1.800 1.800 peak 974 weight 0.10000E+01 volume 0.17673E-02 ppm1 3.156 ppm2 2.102 CV 1
OR { 974}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 27 and name HG2 ))
ASSI { 1045}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 24 and name HA ))
3.000 1.100 1.100 peak 1045 weight 0.10000E+01 volume 0.21745E-02 ppm1 1.684 ppm2 4.260 CV 1
ASSI { 1046}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 24 and name HG12))
2.700 0.900 0.900 peak 1046 weight 0.10000E+01 volume 0.55234E-02 ppm1 1.686 ppm2 1.276 CV 1
ASSI { 1047}
(( segid " " and resid 24 and name HB ))
( segid " " and resid 24 and name HG2%)
2.200 0.600 0.600 peak 1047 weight 0.10000E+01 volume 0.11143E-01 ppm1 1.686 ppm2 0.906 CV 1
ASSI { 1076}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HA ))
2.800 0.900 0.900 peak 1076 weight 0.10000E+01 volume 0.40455E-02 ppm1 2.807 ppm2 5.261 CV 1
ASSI { 1077}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 39 and name HD2 ))
3.600 1.600 1.600 peak 1077 weight 0.10000E+01 volume 0.19579E-02 ppm1 2.806 ppm2 3.743 CV 1
ASSI { 1078}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HB3 ))
1.700 0.400 0.500 peak 1078 weight 0.10000E+01 volume 0.27595E-01 ppm1 2.805 ppm2 2.562 CV 1
ASSI { 1114}
( segid " " and resid 68 and name HD% )
( segid " " and resid 73 and name HG1%)
3.300 1.400 1.400 peak 1114 weight 0.10000E+01 volume 0.14602E-02 ppm1 7.039 ppm2 0.549 CV 1
ASSI { 1117}
( segid " " and resid 68 and name HD% )
( segid " " and resid 35 and name HD2%)
2.700 0.900 0.900 peak 1117 weight 0.10000E+01 volume 0.20749E-02 ppm1 7.030 ppm2 0.701 CV 1
ASSI { 1138}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 59 and name HA ))
2.700 0.900 0.900 peak 1138 weight 0.10000E+01 volume 0.33807E-02 ppm1 3.460 ppm2 4.617 CV 1
ASSI { 1139}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 59 and name HB2 ))
1.800 0.400 0.400 peak 1139 weight 0.10000E+01 volume 0.16854E-01 ppm1 3.463 ppm2 2.428 CV 1
ASSI { 1140}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 35 and name HD1%)
2.800 1.000 1.000 peak 1140 weight 0.10000E+01 volume 0.32259E-02 ppm1 3.463 ppm2 0.837 CV 1
ASSI { 1153}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 14 and name HB2 ))
3.400 1.400 1.400 peak 1153 weight 0.10000E+01 volume 0.15020E-02 ppm1 2.813 ppm2 1.905 CV 1
ASSI { 1154}
(( segid " " and resid 76 and name HB2 ))
( segid " " and resid 42 and name HG2%)
3.500 1.500 1.500 peak 1154 weight 0.10000E+01 volume 0.87777E-03 ppm1 2.805 ppm2 0.570 CV 1
ASSI { 1156}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 76 and name HA ))
2.600 0.900 0.900 peak 1156 weight 0.10000E+01 volume 0.36532E-02 ppm1 2.803 ppm2 4.830 CV 1
ASSI { 1159}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 15 and name HA ))
3.900 1.900 1.900 peak 1159 weight 0.10000E+01 volume 0.12039E-02 ppm1 2.719 ppm2 5.231 CV 1
ASSI { 1161}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 16 and name HG3 ))
4.100 2.100 1.900 peak 1161 weight 0.10000E+01 volume 0.11149E-02 ppm1 2.727 ppm2 2.032 CV 1
OR { 1161}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 16 and name HB3 ))
ASSI { 1162}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 14 and name HB3 ))
3.300 1.400 1.400 peak 1162 weight 0.10000E+01 volume 0.11180E-02 ppm1 2.721 ppm2 1.650 CV 1
ASSI { 1163}
(( segid " " and resid 76 and name HB3 ))
( segid " " and resid 76 and name HD% )
2.600 0.900 0.900 peak 1163 weight 0.10000E+01 volume 0.43115E-02 ppm1 2.719 ppm2 7.011 CV 1
ASSI { 1173}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 35 and name HD1%)
3.300 1.300 1.300 peak 1173 weight 0.10000E+01 volume 0.32957E-02 ppm1 2.432 ppm2 0.835 CV 1
ASSI { 1206}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 53 and name HA ))
2.400 0.700 0.700 peak 1206 weight 0.10000E+01 volume 0.95599E-02 ppm1 2.623 ppm2 4.633 CV 1
OR { 1206}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HA ))
ASSI { 1209}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 35 and name HG ))
4.000 2.000 2.000 peak 1209 weight 0.10000E+01 volume 0.88954E-03 ppm1 2.422 ppm2 1.405 CV 1
ASSI { 1272}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 63 and name HB3 ))
1.600 0.300 0.600 peak 1272 weight 0.10000E+01 volume 0.43856E-01 ppm1 3.178 ppm2 2.864 CV 1
ASSI { 1290}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 22 and name HD% )
2.800 0.900 0.900 peak 1290 weight 0.10000E+01 volume 0.38886E-02 ppm1 3.224 ppm2 6.984 CV 1
ASSI { 1292}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HB3 ))
1.700 0.400 0.500 peak 1292 weight 0.10000E+01 volume 0.23540E-01 ppm1 3.220 ppm2 2.792 CV 1
ASSI { 1294}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HA ))
2.500 0.800 0.800 peak 1294 weight 0.10000E+01 volume 0.50373E-02 ppm1 2.795 ppm2 4.722 CV 1
ASSI { 1296}
(( segid " " and resid 22 and name HB3 ))
( segid " " and resid 22 and name HD% )
2.700 0.900 0.900 peak 1296 weight 0.10000E+01 volume 0.43921E-02 ppm1 2.790 ppm2 6.982 CV 1
ASSI { 1298}
( segid " " and resid 76 and name HD% )
( segid " " and resid 76 and name HE% )
1.900 0.400 0.400 peak 1298 weight 0.10000E+01 volume 0.42722E-01 ppm1 7.013 ppm2 6.739 CV 1
ASSI { 1299}
( segid " " and resid 76 and name HD% )
(( segid " " and resid 76 and name HA ))
2.500 0.800 0.800 peak 1299 weight 0.10000E+01 volume 0.75483E-02 ppm1 7.018 ppm2 4.828 CV 1
ASSI { 1300}
( segid " " and resid 76 and name HD% )
(( segid " " and resid 76 and name HB2 ))
2.400 0.700 0.700 peak 1300 weight 0.10000E+01 volume 0.73369E-02 ppm1 7.014 ppm2 2.784 CV 1
ASSI { 1301}
( segid " " and resid 76 and name HD% )
(( segid " " and resid 14 and name HB3 ))
2.800 1.000 1.000 peak 1301 weight 0.10000E+01 volume 0.33589E-02 ppm1 7.017 ppm2 1.640 CV 1
OR { 1301}
( segid " " and resid 76 and name HD% )
(( segid " " and resid 14 and name HD2 ))
ASSI { 1306}
( segid " " and resid 22 and name HD% )
(( segid " " and resid 22 and name HA ))
2.700 0.900 0.900 peak 1306 weight 0.10000E+01 volume 0.50177E-02 ppm1 6.980 ppm2 4.720 CV 1
ASSI { 1326}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 71 and name HB3 ))
1.900 0.400 0.400 peak 1326 weight 0.10000E+01 volume 0.16943E-01 ppm1 3.165 ppm2 2.655 CV 1
ASSI { 1336}
(( segid " " and resid 42 and name HB ))
(( segid " " and resid 42 and name HA ))
2.800 1.000 1.000 peak 1336 weight 0.10000E+01 volume 0.31214E-02 ppm1 1.717 ppm2 4.792 CV 1
ASSI { 1338}
(( segid " " and resid 42 and name HB ))
(( segid " " and resid 42 and name HG12))
2.600 0.800 0.800 peak 1338 weight 0.10000E+01 volume 0.47474E-02 ppm1 1.717 ppm2 1.224 CV 1
ASSI { 1341}
(( segid " " and resid 42 and name HB ))
(( segid " " and resid 42 and name HG13))
2.600 0.800 0.800 peak 1341 weight 0.10000E+01 volume 0.42570E-02 ppm1 1.712 ppm2 1.030 CV 1
ASSI { 1375}
(( segid " " and resid 64 and name HG3 ))
(( segid " " and resid 64 and name HA ))
2.500 0.800 0.800 peak 1375 weight 0.10000E+01 volume 0.76311E-02 ppm1 2.250 ppm2 4.390 CV 1
OR { 1375}
(( segid " " and resid 64 and name HG2 ))
(( segid " " and resid 64 and name HA ))
ASSI { 1376}
(( segid " " and resid 44 and name HG2 ))
(( segid " " and resid 14 and name HA ))
3.600 1.600 1.600 peak 1376 weight 0.10000E+01 volume 0.87341E-03 ppm1 2.117 ppm2 5.060 CV 1
OR { 1376}
(( segid " " and resid 44 and name HG3 ))
(( segid " " and resid 14 and name HA ))
ASSI { 1377}
(( segid " " and resid 44 and name HG2 ))
(( segid " " and resid 44 and name HA ))
2.700 0.900 0.900 peak 1377 weight 0.10000E+01 volume 0.45752E-02 ppm1 2.106 ppm2 4.825 CV 1
OR { 1377}
(( segid " " and resid 44 and name HG3 ))
(( segid " " and resid 44 and name HA ))
ASSI { 1380}
(( segid " " and resid 44 and name HG3 ))
(( segid " " and resid 44 and name HB2 ))
2.200 0.600 0.600 peak 1380 weight 0.10000E+01 volume 0.15820E-01 ppm1 2.101 ppm2 1.946 CV 1
OR { 1380}
(( segid " " and resid 44 and name HG2 ))
(( segid " " and resid 44 and name HB2 ))
ASSI { 1381}
(( segid " " and resid 44 and name HG2 ))
(( segid " " and resid 44 and name HB3 ))
2.100 0.500 0.500 peak 1381 weight 0.10000E+01 volume 0.20781E-01 ppm1 2.105 ppm2 1.843 CV 1
OR { 1381}
(( segid " " and resid 44 and name HG3 ))
(( segid " " and resid 44 and name HB3 ))
ASSI { 1382}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HB3 ))
1.800 0.400 0.400 peak 1382 weight 0.10000E+01 volume 0.17147E-01 ppm1 2.070 ppm2 1.267 CV 1
ASSI { 1384}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HA ))
2.900 1.000 1.000 peak 1384 weight 0.10000E+01 volume 0.26047E-02 ppm1 2.039 ppm2 5.094 CV 1
ASSI { 1386}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HA ))
3.200 1.300 1.300 peak 1386 weight 0.10000E+01 volume 0.21073E-02 ppm1 1.996 ppm2 5.092 CV 1
ASSI { 1387}
(( segid " " and resid 16 and name HG2 ))
( segid " " and resid 42 and name HD1%)
3.300 1.400 1.400 peak 1387 weight 0.10000E+01 volume 0.15380E-02 ppm1 1.997 ppm2 0.309 CV 1
ASSI { 1389}
(( segid " " and resid 56 and name HG2 ))
(( segid " " and resid 56 and name HB2 ))
3.300 1.400 1.400 peak 1389 weight 0.10000E+01 volume 0.23127E-02 ppm1 1.547 ppm2 1.214 CV 1
ASSI { 1391}
(( segid " " and resid 56 and name HG2 ))
(( segid " " and resid 56 and name HA ))
3.000 1.100 1.100 peak 1391 weight 0.10000E+01 volume 0.24914E-02 ppm1 1.538 ppm2 4.323 CV 1
ASSI { 1393}
(( segid " " and resid 56 and name HG2 ))
( segid " " and resid 65 and name HG2%)
3.200 1.300 1.300 peak 1393 weight 0.10000E+01 volume 0.18155E-02 ppm1 1.542 ppm2 0.745 CV 1
ASSI { 1403}
(( segid " " and resid 56 and name HG3 ))
(( segid " " and resid 56 and name HG2 ))
1.900 0.400 0.400 peak 1403 weight 0.10000E+01 volume 0.14861E-01 ppm1 0.584 ppm2 1.541 CV 1
ASSI { 1405}
(( segid " " and resid 56 and name HG3 ))
(( segid " " and resid 67 and name HA ))
3.300 1.400 1.400 peak 1405 weight 0.10000E+01 volume 0.12065E-02 ppm1 0.580 ppm2 5.882 CV 1
ASSI { 1406}
(( segid " " and resid 56 and name HG3 ))
(( segid " " and resid 56 and name HA ))
2.900 1.000 1.000 peak 1406 weight 0.10000E+01 volume 0.27443E-02 ppm1 0.583 ppm2 4.321 CV 1
ASSI { 1407}
(( segid " " and resid 56 and name HG3 ))
(( segid " " and resid 56 and name HB2 ))
2.800 1.000 1.000 peak 1407 weight 0.10000E+01 volume 0.20664E-02 ppm1 0.581 ppm2 1.224 CV 1
ASSI { 1408}
(( segid " " and resid 56 and name HG3 ))
( segid " " and resid 65 and name HG2%)
3.800 1.800 1.800 peak 1408 weight 0.10000E+01 volume 0.12582E-02 ppm1 0.581 ppm2 0.740 CV 1
ASSI { 1409}
(( segid " " and resid 56 and name HG3 ))
(( segid " " and resid 56 and name HB3 ))
3.200 1.300 1.300 peak 1409 weight 0.10000E+01 volume 0.28075E-02 ppm1 0.582 ppm2 -0.790 CV 1
ASSI { 1419}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 18 and name HB2 ))
3.100 1.200 1.200 peak 1419 weight 0.10000E+01 volume 0.19979E-02 ppm1 6.913 ppm2 2.563 CV 1
ASSI { 1437}
(( segid " " and resid 49 and name HG3 ))
(( segid " " and resid 49 and name HB2 ))
2.500 0.800 0.800 peak 1437 weight 0.10000E+01 volume 0.80039E-02 ppm1 2.247 ppm2 1.731 CV 1
OR { 1437}
(( segid " " and resid 49 and name HG2 ))
(( segid " " and resid 49 and name HB2 ))
ASSI { 1438}
(( segid " " and resid 51 and name HG3 ))
(( segid " " and resid 52 and name HD2 ))
3.700 1.700 1.700 peak 1438 weight 0.10000E+01 volume 0.92444E-03 ppm1 2.185 ppm2 7.138 CV 1
OR { 1438}
(( segid " " and resid 51 and name HG2 ))
(( segid " " and resid 52 and name HD2 ))
ASSI { 1441}
(( segid " " and resid 51 and name HG2 ))
(( segid " " and resid 51 and name HB3 ))
2.200 0.600 0.600 peak 1441 weight 0.10000E+01 volume 0.19323E-01 ppm1 2.185 ppm2 2.042 CV 1
OR { 1441}
(( segid " " and resid 51 and name HG3 ))
(( segid " " and resid 51 and name HB3 ))
ASSI { 1442}
(( segid " " and resid 51 and name HG2 ))
( segid " " and resid 50 and name HB% )
3.500 1.500 1.500 peak 1442 weight 0.10000E+01 volume 0.16627E-02 ppm1 2.183 ppm2 1.397 CV 1
OR { 1442}
(( segid " " and resid 51 and name HG3 ))
( segid " " and resid 50 and name HB% )
ASSI { 1446}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HA ))
2.900 1.100 1.100 peak 1446 weight 0.10000E+01 volume 0.39104E-02 ppm1 2.069 ppm2 4.000 CV 1
ASSI { 1448}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 27 and name HB2 ))
3.200 1.300 1.300 peak 1448 weight 0.10000E+01 volume 0.10807E-02 ppm1 2.060 ppm2 1.399 CV 1
ASSI { 1453}
( segid " " and resid 18 and name HE% )
( segid " " and resid 18 and name HD% )
2.000 0.500 0.500 peak 1453 weight 0.10000E+01 volume 0.24936E-01 ppm1 7.198 ppm2 6.912 CV 1
ASSI { 1518}
(( segid " " and resid 73 and name HB ))
(( segid " " and resid 73 and name HA ))
2.400 0.700 0.700 peak 1518 weight 0.10000E+01 volume 0.60683E-02 ppm1 2.082 ppm2 5.339 CV 1
ASSI { 1523}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HB3 ))
2.000 0.500 0.500 peak 1523 weight 0.10000E+01 volume 0.85576E-02 ppm1 1.886 ppm2 1.721 CV 1
ASSI { 1524}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 73 and name HG2%)
3.200 1.200 1.200 peak 1524 weight 0.10000E+01 volume 0.18939E-02 ppm1 1.884 ppm2 1.165 CV 1
ASSI { 1526}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HG3 ))
3.000 1.100 1.100 peak 1526 weight 0.10000E+01 volume 0.15258E-02 ppm1 1.884 ppm2 2.467 CV 1
ASSI { 1528}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HG2 ))
3.100 1.200 1.200 peak 1528 weight 0.10000E+01 volume 0.16878E-02 ppm1 1.729 ppm2 2.759 CV 1
ASSI { 1533}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 73 and name HG2%)
3.000 1.200 1.200 peak 1533 weight 0.10000E+01 volume 0.19711E-02 ppm1 1.723 ppm2 1.161 CV 1
ASSI { 1566}
(( segid " " and resid 20 and name HG3 ))
( segid " " and resid 22 and name HE% )
3.600 1.600 1.600 peak 1566 weight 0.10000E+01 volume 0.15195E-02 ppm1 2.158 ppm2 6.745 CV 1
OR { 1566}
(( segid " " and resid 20 and name HG2 ))
( segid " " and resid 22 and name HE% )
ASSI { 1568}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 39 and name HD3 ))
4.100 2.100 1.900 peak 1568 weight 0.10000E+01 volume 0.90280E-03 ppm1 2.154 ppm2 3.622 CV 1
OR { 1568}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 39 and name HD3 ))
ASSI { 1570}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HB2 ))
2.200 0.600 0.600 peak 1570 weight 0.10000E+01 volume 0.15901E-01 ppm1 2.152 ppm2 1.992 CV 1
OR { 1570}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HB3 ))
OR { 1570}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HB3 ))
OR { 1570}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 1572}
(( segid " " and resid 65 and name HB ))
( segid " " and resid 65 and name HG1%)
2.200 0.600 0.600 peak 1572 weight 0.10000E+01 volume 0.12466E-01 ppm1 1.831 ppm2 0.812 CV 1
ASSI { 1575}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HA ))
2.600 0.800 0.800 peak 1575 weight 0.10000E+01 volume 0.45665E-02 ppm1 1.801 ppm2 4.279 CV 1
ASSI { 1576}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HB2 ))
1.700 0.400 0.500 peak 1576 weight 0.10000E+01 volume 0.20463E-01 ppm1 1.794 ppm2 1.577 CV 1
ASSI { 1577}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HD2 ))
2.600 0.800 0.800 peak 1577 weight 0.10000E+01 volume 0.55343E-02 ppm1 1.795 ppm2 1.378 CV 1
OR { 1577}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HD3 ))
ASSI { 1578}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 56 and name HB2 ))
3.300 1.300 1.300 peak 1578 weight 0.10000E+01 volume 0.18950E-02 ppm1 1.790 ppm2 1.207 CV 1
ASSI { 1581}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 56 and name HB3 ))
3.300 1.400 1.400 peak 1581 weight 0.10000E+01 volume 0.12167E-02 ppm1 1.580 ppm2 -0.790 CV 1
ASSI { 1603}
( segid " " and resid 31 and name HE% )
( segid " " and resid 31 and name HD% )
1.900 0.400 0.400 peak 1603 weight 0.10000E+01 volume 0.38755E-01 ppm1 6.912 ppm2 6.130 CV 1
ASSI { 1604}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 28 and name HD2 ))
4.000 2.000 2.000 peak 1604 weight 0.10000E+01 volume 0.94751E-03 ppm1 6.913 ppm2 1.670 CV 1
ASSI { 1605}
( segid " " and resid 31 and name HE% )
(( segid " " and resid 28 and name HG2 ))
3.900 1.900 1.900 peak 1605 weight 0.10000E+01 volume 0.10068E-02 ppm1 6.914 ppm2 1.382 CV 1
ASSI { 1609}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 31 and name HB2 ))
3.100 1.200 1.200 peak 1609 weight 0.10000E+01 volume 0.14964E-02 ppm1 6.130 ppm2 2.046 CV 1
ASSI { 1610}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 28 and name HD2 ))
3.700 1.700 1.700 peak 1610 weight 0.10000E+01 volume 0.15609E-02 ppm1 6.130 ppm2 1.665 CV 1
ASSI { 1611}
( segid " " and resid 31 and name HD% )
(( segid " " and resid 28 and name HG2 ))
3.800 1.800 1.800 peak 1611 weight 0.10000E+01 volume 0.11629E-02 ppm1 6.130 ppm2 1.384 CV 1
ASSI { 1641}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 76 and name HD% )
3.500 1.500 1.500 peak 1641 weight 0.10000E+01 volume 0.10105E-02 ppm1 1.916 ppm2 7.013 CV 1
ASSI { 1645}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HA ))
2.700 0.900 0.900 peak 1645 weight 0.10000E+01 volume 0.31105E-02 ppm1 1.631 ppm2 5.048 CV 1
ASSI { 1646}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 76 and name HB2 ))
3.300 1.400 1.400 peak 1646 weight 0.10000E+01 volume 0.10267E-02 ppm1 1.627 ppm2 2.786 CV 1
ASSI { 1647}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HB2 ))
1.800 0.400 0.400 peak 1647 weight 0.10000E+01 volume 0.13172E-01 ppm1 1.625 ppm2 1.922 CV 1
ASSI { 1649}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 42 and name HG2%)
2.700 0.900 0.900 peak 1649 weight 0.10000E+01 volume 0.28990E-02 ppm1 1.622 ppm2 0.574 CV 1
ASSI { 1650}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 47 and name HD2 ))
2.600 0.900 0.900 peak 1650 weight 0.10000E+01 volume 0.63147E-02 ppm1 1.584 ppm2 1.373 CV 1
OR { 1650}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 47 and name HD3 ))
ASSI { 1687}
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 58 and name HB3 ))
1.800 0.400 0.400 peak 1687 weight 0.10000E+01 volume 0.13405E-01 ppm1 1.506 ppm2 1.885 CV 1
ASSI { 1711}
(( segid " " and resid 55 and name HB3 ))
(( segid " " and resid 55 and name HE3 ))
3.200 1.200 1.200 peak 1711 weight 0.10000E+01 volume 0.12703E-02 ppm1 2.838 ppm2 6.989 CV 1
ASSI { 1715}
(( segid " " and resid 55 and name HB3 ))
(( segid " " and resid 55 and name HB2 ))
1.900 0.500 0.500 peak 1715 weight 0.10000E+01 volume 0.13954E-01 ppm1 2.834 ppm2 2.063 CV 1
ASSI { 1725}
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 58 and name HG3 ))
2.600 0.800 0.800 peak 1725 weight 0.10000E+01 volume 0.30516E-02 ppm1 1.509 ppm2 1.278 CV 1
ASSI { 1726}
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 58 and name HG2 ))
3.100 1.200 1.200 peak 1726 weight 0.10000E+01 volume 0.29426E-02 ppm1 1.505 ppm2 1.001 CV 1
ASSI { 1744}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 15 and name HG2 ))
2.000 0.500 0.500 peak 1744 weight 0.10000E+01 volume 0.10731E-01 ppm1 2.469 ppm2 2.753 CV 1
ASSI { 1758}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 74 and name HD2 ))
3.500 1.500 1.500 peak 1758 weight 0.10000E+01 volume 0.12191E-02 ppm1 2.018 ppm2 7.105 CV 1
ASSI { 1759}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 76 and name HA ))
3.300 1.400 1.400 peak 1759 weight 0.10000E+01 volume 0.11786E-02 ppm1 2.017 ppm2 4.829 CV 1
ASSI { 1761}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 76 and name HD% )
3.600 1.600 1.600 peak 1761 weight 0.10000E+01 volume 0.13094E-02 ppm1 1.863 ppm2 7.008 CV 1
ASSI { 1764}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HB3 ))
2.000 0.500 0.500 peak 1764 weight 0.10000E+01 volume 0.12122E-01 ppm1 1.853 ppm2 2.029 CV 1
OR { 1764}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HG3 ))
ASSI { 1801}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HB2 ))
3.100 1.200 1.200 peak 1801 weight 0.10000E+01 volume 0.21250E-02 ppm1 2.753 ppm2 1.876 CV 1
ASSI { 1805}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 26 and name HD2 ))
2.900 1.000 1.000 peak 1805 weight 0.10000E+01 volume 0.25917E-02 ppm1 2.624 ppm2 3.814 CV 1
OR { 1805}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 26 and name HD3 ))
ASSI { 1806}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HA ))
2.700 0.900 0.900 peak 1806 weight 0.10000E+01 volume 0.41371E-02 ppm1 2.622 ppm2 5.137 CV 1
ASSI { 1808}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HB3 ))
1.800 0.400 0.400 peak 1808 weight 0.10000E+01 volume 0.14543E-01 ppm1 2.623 ppm2 2.391 CV 1
ASSI { 1809}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HG2 ))
2.400 0.700 0.700 peak 1809 weight 0.10000E+01 volume 0.76356E-02 ppm1 2.618 ppm2 2.210 CV 1
OR { 1809}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HG3 ))
ASSI { 1810}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 15 and name HB3 ))
3.100 1.200 1.200 peak 1810 weight 0.10000E+01 volume 0.23672E-02 ppm1 2.471 ppm2 1.716 CV 1
ASSI { 1811}
(( segid " " and resid 15 and name HG3 ))
( segid " " and resid 73 and name HG2%)
3.700 1.700 1.700 peak 1811 weight 0.10000E+01 volume 0.10672E-02 ppm1 2.464 ppm2 1.162 CV 1
ASSI { 1814}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HA ))
2.400 0.700 0.700 peak 1814 weight 0.10000E+01 volume 0.37121E-02 ppm1 2.398 ppm2 5.141 CV 1
ASSI { 1815}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 26 and name HD2 ))
3.300 1.300 1.300 peak 1815 weight 0.10000E+01 volume 0.32739E-02 ppm1 2.397 ppm2 3.817 CV 1
OR { 1815}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 26 and name HD3 ))
ASSI { 1818}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 19 and name HG3 ))
1.600 0.300 0.600 peak 1818 weight 0.10000E+01 volume 0.33306E-01 ppm1 2.304 ppm2 2.213 CV 1
ASSI { 1820}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 42 and name HD1%)
3.700 1.700 1.700 peak 1820 weight 0.10000E+01 volume 0.12342E-02 ppm1 1.856 ppm2 0.304 CV 1
ASSI { 1833}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 55 and name HD1 ))
3.600 1.600 1.600 peak 1833 weight 0.10000E+01 volume 0.10570E-02 ppm1 3.537 ppm2 7.296 CV 1
OR { 1833}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 55 and name HD1 ))
ASSI { 1835}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 52 and name HA ))
2.700 0.900 0.900 peak 1835 weight 0.10000E+01 volume 0.41218E-02 ppm1 3.531 ppm2 4.948 CV 1
OR { 1835}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HA ))
ASSI { 1839}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HD3 ))
4.400 2.400 1.600 peak 1839 weight 0.10000E+01 volume 0.94247E-03 ppm1 2.619 ppm2 3.682 CV 1
ASSI { 1882}
(( segid " " and resid 77 and name HB ))
(( segid " " and resid 77 and name HA ))
2.700 0.900 0.900 peak 1882 weight 0.10000E+01 volume 0.44074E-02 ppm1 1.946 ppm2 4.028 CV 1
ASSI { 1883}
(( segid " " and resid 77 and name HB ))
( segid " " and resid 77 and name HG2%)
2.200 0.600 0.600 peak 1883 weight 0.10000E+01 volume 0.13129E-01 ppm1 1.946 ppm2 0.773 CV 1
ASSI { 1885}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HD3 ))
4.200 2.200 1.800 peak 1885 weight 0.10000E+01 volume 0.96410E-03 ppm1 1.909 ppm2 3.546 CV 1
ASSI { 1886}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HA ))
2.900 1.100 1.100 peak 1886 weight 0.10000E+01 volume 0.30080E-02 ppm1 1.844 ppm2 4.285 CV 1
ASSI { 1923}
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HD2 ))
3.800 1.800 1.800 peak 1923 weight 0.10000E+01 volume 0.11163E-02 ppm1 2.406 ppm2 4.038 CV 1
ASSI { 1927}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HD2 ))
3.400 1.500 1.500 peak 1927 weight 0.10000E+01 volume 0.10670E-02 ppm1 2.326 ppm2 3.825 CV 1
ASSI { 1928}
(( segid " " and resid 17 and name HB ))
(( segid " " and resid 17 and name HA ))
3.000 1.100 1.100 peak 1928 weight 0.10000E+01 volume 0.20284E-02 ppm1 2.201 ppm2 3.977 CV 1
ASSI { 1929}
(( segid " " and resid 17 and name HB ))
(( segid " " and resid 39 and name HA ))
2.800 1.000 1.000 peak 1929 weight 0.10000E+01 volume 0.36750E-02 ppm1 2.202 ppm2 3.650 CV 1
ASSI { 1936}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HB2 ))
1.800 0.400 0.400 peak 1936 weight 0.10000E+01 volume 0.14743E-01 ppm1 1.917 ppm2 2.337 CV 1
ASSI { 1937}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HD2 ))
4.200 2.200 1.800 peak 1937 weight 0.10000E+01 volume 0.10517E-02 ppm1 1.909 ppm2 3.824 CV 1
ASSI { 1938}
(( segid " " and resid 75 and name HB3 ))
(( segid " " and resid 75 and name HD3 ))
3.500 1.500 1.500 peak 1938 weight 0.10000E+01 volume 0.14709E-02 ppm1 1.835 ppm2 3.660 CV 1
ASSI { 1939}
(( segid " " and resid 75 and name HB3 ))
(( segid " " and resid 75 and name HD2 ))
4.200 2.200 1.800 peak 1939 weight 0.10000E+01 volume 0.10358E-02 ppm1 1.828 ppm2 4.037 CV 1
ASSI { 1942}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 47 and name HB2 ))
2.700 0.900 0.900 peak 1942 weight 0.10000E+01 volume 0.35878E-02 ppm1 1.228 ppm2 1.573 CV 1
ASSI { 1946}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HB3 ))
1.900 0.500 0.500 peak 1946 weight 0.10000E+01 volume 0.11304E-01 ppm1 1.226 ppm2 -0.788 CV 1
ASSI { 1954}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HG2 ))
2.700 0.900 0.900 peak 1954 weight 0.10000E+01 volume 0.32499E-02 ppm1 -0.787 ppm2 1.559 CV 1
ASSI { 1971}
(( segid " " and resid 67 and name HB3 ))
(( segid " " and resid 67 and name HB2 ))
2.000 0.500 0.500 peak 1971 weight 0.10000E+01 volume 0.87559E-02 ppm1 3.001 ppm2 3.239 CV 1
ASSI { 1976}
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HD3 ))
4.200 2.200 1.800 peak 1976 weight 0.10000E+01 volume 0.96672E-03 ppm1 2.408 ppm2 3.666 CV 1
ASSI { 1978}
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HB3 ))
1.800 0.400 0.400 peak 1978 weight 0.10000E+01 volume 0.15180E-01 ppm1 2.405 ppm2 1.833 CV 1
ASSI { 1985}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 44 and name HB2 ))
1.700 0.400 0.500 peak 1985 weight 0.10000E+01 volume 0.27683E-01 ppm1 1.838 ppm2 1.959 CV 1
ASSI { 1986}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HA ))
2.700 0.900 0.900 peak 1986 weight 0.10000E+01 volume 0.35006E-02 ppm1 1.588 ppm2 4.413 CV 1
ASSI { 1990}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 72 and name HD3 ))
3.500 1.600 1.600 peak 1990 weight 0.10000E+01 volume 0.10127E-02 ppm1 1.585 ppm2 2.942 CV 1
ASSI { 1991}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 72 and name HD2 ))
3.300 1.400 1.400 peak 1991 weight 0.10000E+01 volume 0.15127E-02 ppm1 1.587 ppm2 2.769 CV 1
ASSI { 1995}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HA ))
2.900 1.000 1.000 peak 1995 weight 0.10000E+01 volume 0.33655E-02 ppm1 1.502 ppm2 4.411 CV 1
ASSI { 1997}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HB2 ))
1.700 0.400 0.500 peak 1997 weight 0.10000E+01 volume 0.23759E-01 ppm1 1.499 ppm2 1.574 CV 1
ASSI { 2008}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 47 and name HB3 ))
3.400 1.400 1.400 peak 2008 weight 0.10000E+01 volume 0.92813E-03 ppm1 -0.781 ppm2 1.797 CV 1
ASSI { 2028}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 74 and name HA ))
2.600 0.900 0.900 peak 2028 weight 0.10000E+01 volume 0.37948E-02 ppm1 3.270 ppm2 5.391 CV 1
ASSI { 2032}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 54 and name HE3 ))
3.200 1.300 1.300 peak 2032 weight 0.10000E+01 volume 0.28032E-02 ppm1 3.242 ppm2 7.232 CV 1
ASSI { 2034}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 67 and name HD1 ))
3.300 1.400 1.400 peak 2034 weight 0.10000E+01 volume 0.10258E-02 ppm1 3.232 ppm2 7.523 CV 1
ASSI { 2035}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 27 and name HB3 ))
3.200 1.300 1.300 peak 2035 weight 0.10000E+01 volume 0.12440E-02 ppm1 3.237 ppm2 1.303 CV 1
ASSI { 2037}
(( segid " " and resid 74 and name HB3 ))
(( segid " " and resid 75 and name HD3 ))
3.900 1.900 1.900 peak 2037 weight 0.10000E+01 volume 0.27966E-02 ppm1 3.185 ppm2 3.659 CV 1
ASSI { 2041}
(( segid " " and resid 67 and name HB3 ))
(( segid " " and resid 67 and name HA ))
3.000 1.100 1.100 peak 2041 weight 0.10000E+01 volume 0.18196E-02 ppm1 3.005 ppm2 5.864 CV 1
ASSI { 2050}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HA ))
2.800 1.000 1.000 peak 2050 weight 0.10000E+01 volume 0.63430E-02 ppm1 2.135 ppm2 3.651 CV 1
OR { 2050}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HD3 ))
ASSI { 2051}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HB2 ))
1.700 0.400 0.500 peak 2051 weight 0.10000E+01 volume 0.22582E-01 ppm1 2.120 ppm2 1.922 CV 1
ASSI { 2055}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HG2 ))
3.000 1.200 1.200 peak 2055 weight 0.10000E+01 volume 0.40106E-02 ppm1 2.011 ppm2 1.385 CV 1
ASSI { 2057}
(( segid " " and resid 64 and name HB3 ))
(( segid " " and resid 64 and name HA ))
2.800 1.000 1.000 peak 2057 weight 0.10000E+01 volume 0.35682E-02 ppm1 2.007 ppm2 4.391 CV 1
ASSI { 2060}
(( segid " " and resid 64 and name HB3 ))
(( segid " " and resid 64 and name HB2 ))
1.800 0.400 0.400 peak 2060 weight 0.10000E+01 volume 0.19221E-01 ppm1 2.005 ppm2 1.830 CV 1
ASSI { 2061}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HG3 ))
2.500 0.800 0.800 peak 2061 weight 0.10000E+01 volume 0.43050E-02 ppm1 2.008 ppm2 1.608 CV 1
ASSI { 2071}
(( segid " " and resid 64 and name HB2 ))
(( segid " " and resid 64 and name HA ))
2.800 1.000 1.000 peak 2071 weight 0.10000E+01 volume 0.42613E-02 ppm1 1.819 ppm2 4.393 CV 1
ASSI { 2078}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 31 and name HD% )
3.700 1.700 1.700 peak 2078 weight 0.10000E+01 volume 0.17447E-02 ppm1 1.158 ppm2 6.134 CV 1
ASSI { 2079}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HA ))
2.600 0.800 0.800 peak 2079 weight 0.10000E+01 volume 0.37361E-02 ppm1 1.150 ppm2 4.040 CV 1
ASSI { 2080}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HB3 ))
1.800 0.400 0.400 peak 2080 weight 0.10000E+01 volume 0.19241E-01 ppm1 1.152 ppm2 2.008 CV 1
ASSI { 2081}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HG3 ))
3.200 1.200 1.200 peak 2081 weight 0.10000E+01 volume 0.29077E-02 ppm1 1.154 ppm2 1.601 CV 1
ASSI { 2092}
(( segid " " and resid 67 and name HD1 ))
(( segid " " and resid 32 and name HA2 ))
3.400 1.400 1.400 peak 2092 weight 0.10000E+01 volume 0.10751E-02 ppm1 7.534 ppm2 3.897 CV 1
ASSI { 2093}
(( segid " " and resid 67 and name HD1 ))
(( segid " " and resid 67 and name HB3 ))
3.600 1.600 1.600 peak 2093 weight 0.10000E+01 volume 0.18508E-02 ppm1 7.533 ppm2 3.003 CV 1
ASSI { 2094}
(( segid " " and resid 67 and name HD1 ))
(( segid " " and resid 31 and name HB3 ))
3.400 1.500 1.500 peak 2094 weight 0.10000E+01 volume 0.92876E-03 ppm1 7.526 ppm2 1.282 CV 1
ASSI { 2095}
(( segid " " and resid 54 and name HD1 ))
(( segid " " and resid 54 and name HB2 ))
3.400 1.500 1.500 peak 2095 weight 0.10000E+01 volume 0.90415E-03 ppm1 7.199 ppm2 3.030 CV 1
ASSI { 2096}
(( segid " " and resid 54 and name HD1 ))
(( segid " " and resid 53 and name HB2 ))
2.900 1.000 1.000 peak 2096 weight 0.10000E+01 volume 0.34199E-02 ppm1 7.197 ppm2 2.601 CV 1
OR { 2096}
(( segid " " and resid 54 and name HD1 ))
(( segid " " and resid 53 and name HB3 ))
ASSI { 2121}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HD1 ))
2.700 0.900 0.900 peak 2121 weight 0.10000E+01 volume 0.52095E-02 ppm1 3.027 ppm2 7.220 CV 1
OR { 2121}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HE3 ))
ASSI { 2122}
(( segid " " and resid 54 and name HB2 ))
( segid " " and resid 31 and name HE% )
3.300 1.400 1.400 peak 2122 weight 0.10000E+01 volume 0.10314E-02 ppm1 3.031 ppm2 6.926 CV 1
ASSI { 2125}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HB3 ))
2.000 0.500 0.500 peak 2125 weight 0.10000E+01 volume 0.10953E-01 ppm1 3.026 ppm2 2.560 CV 1
ASSI { 2129}
(( segid " " and resid 54 and name HB3 ))
(( segid " " and resid 54 and name HE3 ))
2.800 1.000 1.000 peak 2129 weight 0.10000E+01 volume 0.35158E-02 ppm1 2.561 ppm2 7.216 CV 1
OR { 2129}
(( segid " " and resid 54 and name HB3 ))
(( segid " " and resid 54 and name HD1 ))
ASSI { 2133}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HG2 ))
2.900 1.000 1.000 peak 2133 weight 0.10000E+01 volume 0.58787E-02 ppm1 2.133 ppm2 1.629 CV 1
ASSI { 2134}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HA ))
2.600 0.800 0.800 peak 2134 weight 0.10000E+01 volume 0.41676E-02 ppm1 1.919 ppm2 3.652 CV 1
ASSI { 2158}
(( segid " " and resid 78 and name HB2 ))
(( segid " " and resid 78 and name HB3 ))
1.500 0.300 0.700 peak 2158 weight 0.10000E+01 volume 0.71778E-01 ppm1 2.944 ppm2 2.828 CV 1
ASSI { 2162}
(( segid " " and resid 78 and name HB3 ))
(( segid " " and resid 78 and name HA ))
2.600 0.800 0.800 peak 2162 weight 0.10000E+01 volume 0.47714E-02 ppm1 2.833 ppm2 4.242 CV 1
ASSI { 2211}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 72 and name HB3 ))
1.900 0.500 0.500 peak 2211 weight 0.10000E+01 volume 0.11200E-01 ppm1 2.548 ppm2 1.459 CV 1
ASSI { 2216}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HD2 ))
3.500 1.500 1.500 peak 2216 weight 0.10000E+01 volume 0.18170E-02 ppm1 2.297 ppm2 3.810 CV 1
OR { 2216}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HD3 ))
ASSI { 2217}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 27 and name HD3 ))
4.400 2.500 1.600 peak 2217 weight 0.10000E+01 volume 0.91551E-03 ppm1 2.301 ppm2 3.695 CV 1
ASSI { 2219}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HB3 ))
1.900 0.500 0.500 peak 2219 weight 0.10000E+01 volume 0.11001E-01 ppm1 2.305 ppm2 1.912 CV 1
ASSI { 2225}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 49 and name HB2 ))
1.700 0.400 0.500 peak 2225 weight 0.10000E+01 volume 0.21354E-01 ppm1 2.027 ppm2 1.729 CV 1
ASSI { 2226}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HD3 ))
3.800 1.800 1.800 peak 2226 weight 0.10000E+01 volume 0.14271E-02 ppm1 1.917 ppm2 3.812 CV 1
OR { 2226}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HD2 ))
ASSI { 2228}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HA ))
2.600 0.800 0.800 peak 2228 weight 0.10000E+01 volume 0.32456E-02 ppm1 1.909 ppm2 4.690 CV 1
ASSI { 2229}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 27 and name HD2 ))
3.300 1.400 1.400 peak 2229 weight 0.10000E+01 volume 0.14179E-02 ppm1 1.908 ppm2 4.118 CV 1
ASSI { 2231}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HA ))
2.600 0.800 0.800 peak 2231 weight 0.10000E+01 volume 0.52771E-02 ppm1 1.872 ppm2 4.593 CV 1
OR { 2231}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HA ))
ASSI { 2232}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HD3 ))
2.700 0.900 0.900 peak 2232 weight 0.10000E+01 volume 0.53381E-02 ppm1 1.872 ppm2 3.348 CV 1
OR { 2232}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HD3 ))
OR { 2232}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HD2 ))
OR { 2232}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HD2 ))
ASSI { 2239}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HB3 ))
1.800 0.400 0.400 peak 2239 weight 0.10000E+01 volume 0.18401E-01 ppm1 1.498 ppm2 1.236 CV 1
OR { 2239}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HG2 ))
ASSI { 2249}
(( segid " " and resid 69 and name HB3 ))
(( segid " " and resid 69 and name HB2 ))
1.800 0.400 0.400 peak 2249 weight 0.10000E+01 volume 0.14613E-01 ppm1 1.240 ppm2 1.497 CV 1
ASSI { 2251}
(( segid " " and resid 69 and name HB3 ))
(( segid " " and resid 69 and name HG3 ))
2.400 0.700 0.700 peak 2251 weight 0.10000E+01 volume 0.44597E-02 ppm1 1.243 ppm2 0.870 CV 1
ASSI { 2285}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HA ))
3.000 1.100 1.100 peak 2285 weight 0.10000E+01 volume 0.28445E-02 ppm1 2.082 ppm2 4.288 CV 1
ASSI { 2286}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HB3 ))
1.600 0.300 0.600 peak 2286 weight 0.10000E+01 volume 0.43594E-01 ppm1 2.080 ppm2 1.956 CV 1
ASSI { 2287}
(( segid " " and resid 20 and name HB2 ))
( segid " " and resid 22 and name HE% )
3.400 1.500 1.500 peak 2287 weight 0.10000E+01 volume 0.12289E-02 ppm1 1.995 ppm2 6.752 CV 1
OR { 2287}
(( segid " " and resid 20 and name HB3 ))
( segid " " and resid 22 and name HE% )
ASSI { 2288}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HA ))
2.800 1.000 1.000 peak 2288 weight 0.10000E+01 volume 0.32848E-02 ppm1 1.950 ppm2 4.289 CV 1
ASSI { 2291}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 27 and name HD3 ))
3.800 1.800 1.800 peak 2291 weight 0.10000E+01 volume 0.17710E-02 ppm1 1.909 ppm2 3.669 CV 1
ASSI { 2294}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HA ))
3.000 1.100 1.100 peak 2294 weight 0.10000E+01 volume 0.29971E-02 ppm1 1.411 ppm2 2.376 CV 1
ASSI { 2295}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HG2 ))
2.700 0.900 0.900 peak 2295 weight 0.10000E+01 volume 0.36096E-02 ppm1 1.416 ppm2 2.099 CV 1
OR { 2295}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HG3 ))
ASSI { 2298}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HG3 ))
2.700 0.900 0.900 peak 2298 weight 0.10000E+01 volume 0.35660E-02 ppm1 1.293 ppm2 2.098 CV 1
OR { 2298}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HG2 ))
ASSI { 2299}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HB2 ))
1.900 0.400 0.400 peak 2299 weight 0.10000E+01 volume 0.13822E-01 ppm1 1.296 ppm2 1.406 CV 1
ASSI { 2310}
(( segid " " and resid 54 and name HH2 ))
(( segid " " and resid 28 and name HD3 ))
3.200 1.300 1.300 peak 2310 weight 0.10000E+01 volume 0.22865E-02 ppm1 7.100 ppm2 2.216 CV 1
ASSI { 2311}
(( segid " " and resid 54 and name HH2 ))
(( segid " " and resid 69 and name HG3 ))
3.600 1.600 1.600 peak 2311 weight 0.10000E+01 volume 0.87341E-03 ppm1 7.105 ppm2 0.889 CV 1
ASSI { 2335}
(( segid " " and resid 20 and name HB2 ))
( segid " " and resid 22 and name HD% )
3.700 1.700 1.700 peak 2335 weight 0.10000E+01 volume 0.89783E-03 ppm1 2.003 ppm2 6.982 CV 1
OR { 2335}
(( segid " " and resid 20 and name HB3 ))
( segid " " and resid 22 and name HD% )
ASSI { 2341}
(( segid " " and resid 47 and name HG3 ))
(( segid " " and resid 67 and name HH2 ))
3.100 1.200 1.200 peak 2341 weight 0.10000E+01 volume 0.15757E-02 ppm1 1.834 ppm2 7.023 CV 1
ASSI { 2344}
(( segid " " and resid 47 and name HG3 ))
(( segid " " and resid 47 and name HG2 ))
1.700 0.300 0.500 peak 2344 weight 0.10000E+01 volume 0.24217E-01 ppm1 1.834 ppm2 1.643 CV 1
ASSI { 2349}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 67 and name HB3 ))
3.600 1.600 1.600 peak 2349 weight 0.10000E+01 volume 0.89629E-03 ppm1 1.296 ppm2 2.990 CV 1
ASSI { 2374}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 51 and name HA ))
2.700 0.900 0.900 peak 2374 weight 0.10000E+01 volume 0.49305E-02 ppm1 2.109 ppm2 4.253 CV 1
ASSI { 2375}
(( segid " " and resid 51 and name HB3 ))
(( segid " " and resid 51 and name HA ))
2.600 0.900 0.900 peak 2375 weight 0.10000E+01 volume 0.50003E-02 ppm1 2.025 ppm2 4.254 CV 1
ASSI { 2443}
(( segid " " and resid 36 and name HG3 ))
( segid " " and resid 22 and name HD% )
3.500 1.600 1.600 peak 2443 weight 0.10000E+01 volume 0.12917E-02 ppm1 1.890 ppm2 6.990 CV 1
ASSI { 2444}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 36 and name HA ))
3.200 1.300 1.300 peak 2444 weight 0.10000E+01 volume 0.19339E-02 ppm1 1.891 ppm2 4.593 CV 1
ASSI { 2445}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 36 and name HD2 ))
2.600 0.900 0.900 peak 2445 weight 0.10000E+01 volume 0.51420E-02 ppm1 1.892 ppm2 3.349 CV 1
OR { 2445}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 36 and name HD3 ))
ASSI { 2447}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 36 and name HG2 ))
1.900 0.500 0.500 peak 2447 weight 0.10000E+01 volume 0.11474E-01 ppm1 1.891 ppm2 1.575 CV 1
ASSI { 2455}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 36 and name HD3 ))
2.500 0.800 0.800 peak 2455 weight 0.10000E+01 volume 0.52422E-02 ppm1 1.575 ppm2 3.346 CV 1
OR { 2455}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 36 and name HD2 ))
ASSI { 2456}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 36 and name HG3 ))
1.800 0.400 0.400 peak 2456 weight 0.10000E+01 volume 0.24107E-01 ppm1 1.576 ppm2 1.881 CV 1
OR { 2456}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 36 and name HB3 ))
ASSI { 2463}
(( segid " " and resid 55 and name HD1 ))
(( segid " " and resid 55 and name HB2 ))
3.400 1.400 1.400 peak 2463 weight 0.10000E+01 volume 0.88213E-03 ppm1 7.303 ppm2 2.064 CV 1
ASSI { 2478}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 19 and name HA ))
2.900 1.100 1.100 peak 2478 weight 0.10000E+01 volume 0.11768E-02 ppm1 2.322 ppm2 4.411 CV 1
ASSI { 2479}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HD3 ))
2.800 1.000 1.000 peak 2479 weight 0.10000E+01 volume 0.54820E-02 ppm1 2.318 ppm2 3.650 CV 1
OR { 2479}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HA ))
ASSI { 2481}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HB3 ))
2.300 0.700 0.700 peak 2481 weight 0.10000E+01 volume 0.72650E-02 ppm1 2.318 ppm2 2.136 CV 1
ASSI { 2482}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HB2 ))
2.700 0.900 0.900 peak 2482 weight 0.10000E+01 volume 0.76333E-02 ppm1 2.318 ppm2 1.928 CV 1
ASSI { 2483}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HG2 ))
1.800 0.400 0.400 peak 2483 weight 0.10000E+01 volume 0.18050E-01 ppm1 2.319 ppm2 1.626 CV 1
ASSI { 2485}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HD2 ))
2.400 0.700 0.700 peak 2485 weight 0.10000E+01 volume 0.49326E-02 ppm1 2.316 ppm2 3.736 CV 1
ASSI { 2487}
(( segid " " and resid 75 and name HG2 ))
(( segid " " and resid 75 and name HD3 ))
3.100 1.200 1.200 peak 2487 weight 0.10000E+01 volume 0.38276E-02 ppm1 2.213 ppm2 3.665 CV 1
ASSI { 2488}
(( segid " " and resid 75 and name HG2 ))
(( segid " " and resid 75 and name HB2 ))
2.600 0.800 0.800 peak 2488 weight 0.10000E+01 volume 0.35595E-02 ppm1 2.214 ppm2 2.406 CV 1
ASSI { 2490}
(( segid " " and resid 75 and name HG2 ))
(( segid " " and resid 75 and name HG3 ))
1.800 0.400 0.400 peak 2490 weight 0.10000E+01 volume 0.14822E-01 ppm1 2.215 ppm2 1.956 CV 1
ASSI { 2493}
(( segid " " and resid 75 and name HG3 ))
(( segid " " and resid 75 and name HA ))
3.500 1.500 1.500 peak 2493 weight 0.10000E+01 volume 0.16984E-02 ppm1 1.949 ppm2 4.958 CV 1
ASSI { 2495}
(( segid " " and resid 75 and name HG3 ))
(( segid " " and resid 75 and name HB2 ))
3.200 1.300 1.300 peak 2495 weight 0.10000E+01 volume 0.29317E-02 ppm1 1.954 ppm2 2.416 CV 1
ASSI { 2502}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HD3 ))
2.500 0.800 0.800 peak 2502 weight 0.10000E+01 volume 0.46994E-02 ppm1 1.628 ppm2 3.648 CV 1
OR { 2502}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HA ))
ASSI { 2505}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 22 and name HA ))
3.300 1.400 1.400 peak 2505 weight 0.10000E+01 volume 0.98411E-03 ppm1 1.576 ppm2 4.711 CV 1
ASSI { 2508}
(( segid " " and resid 72 and name HG2 ))
(( segid " " and resid 72 and name HD2 ))
3.300 1.300 1.300 peak 2508 weight 0.10000E+01 volume 0.17172E-02 ppm1 1.380 ppm2 2.781 CV 1
ASSI { 2509}
(( segid " " and resid 72 and name HG2 ))
(( segid " " and resid 72 and name HB2 ))
2.900 1.100 1.100 peak 2509 weight 0.10000E+01 volume 0.18674E-02 ppm1 1.376 ppm2 2.538 CV 1
ASSI { 2516}
(( segid " " and resid 55 and name HD1 ))
(( segid " " and resid 48 and name HA ))
2.700 0.900 0.900 peak 2516 weight 0.10000E+01 volume 0.36292E-02 ppm1 7.301 ppm2 4.069 CV 1
ASSI { 2571}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 67 and name HB2 ))
3.200 1.300 1.300 peak 2571 weight 0.10000E+01 volume 0.14107E-02 ppm1 2.100 ppm2 3.255 CV 1
OR { 2571}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 67 and name HB2 ))
ASSI { 2597}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 54 and name HE3 ))
3.600 1.600 1.600 peak 2597 weight 0.10000E+01 volume 0.12280E-02 ppm1 2.119 ppm2 7.217 CV 1
OR { 2597}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 54 and name HE3 ))
ASSI { 2601}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 67 and name HB3 ))
3.300 1.400 1.400 peak 2601 weight 0.10000E+01 volume 0.21971E-02 ppm1 2.108 ppm2 2.991 CV 1
OR { 2601}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 67 and name HB3 ))
ASSI { 2606}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HD2 ))
2.600 0.900 0.900 peak 2606 weight 0.10000E+01 volume 0.44444E-02 ppm1 1.971 ppm2 3.818 CV 1
OR { 2606}
(( segid " " and resid 13 and name HG3 ))
(( segid " " and resid 13 and name HD2 ))
ASSI { 2608}
(( segid " " and resid 13 and name HG3 ))
(( segid " " and resid 13 and name HA ))
3.400 1.400 1.400 peak 2608 weight 0.10000E+01 volume 0.22342E-02 ppm1 1.963 ppm2 4.531 CV 1
OR { 2608}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HA ))
ASSI { 2609}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HB2 ))
2.500 0.800 0.800 peak 2609 weight 0.10000E+01 volume 0.67854E-02 ppm1 1.964 ppm2 2.331 CV 1
OR { 2609}
(( segid " " and resid 13 and name HG3 ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 2614}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 28 and name HD3 ))
2.500 0.800 0.800 peak 2614 weight 0.10000E+01 volume 0.40172E-02 ppm1 1.597 ppm2 2.218 CV 1
ASSI { 2619}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HA ))
3.700 1.700 1.700 peak 2619 weight 0.10000E+01 volume 0.10798E-02 ppm1 1.391 ppm2 4.037 CV 1
ASSI { 2621}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HG3 ))
1.900 0.400 0.400 peak 2621 weight 0.10000E+01 volume 0.12588E-01 ppm1 1.387 ppm2 1.597 CV 1
ASSI { 2623}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HB2 ))
2.400 0.700 0.700 peak 2623 weight 0.10000E+01 volume 0.46493E-02 ppm1 1.385 ppm2 1.154 CV 1
ASSI { 2624}
(( segid " " and resid 58 and name HG3 ))
(( segid " " and resid 58 and name HA ))
3.200 1.300 1.300 peak 2624 weight 0.10000E+01 volume 0.32979E-02 ppm1 1.272 ppm2 5.387 CV 1
ASSI { 2628}
(( segid " " and resid 58 and name HG3 ))
(( segid " " and resid 58 and name HB3 ))
3.100 1.200 1.200 peak 2628 weight 0.10000E+01 volume 0.29557E-02 ppm1 1.267 ppm2 1.876 CV 1
ASSI { 2630}
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 54 and name HZ3 ))
3.700 1.800 1.800 peak 2630 weight 0.10000E+01 volume 0.13562E-02 ppm1 1.231 ppm2 7.067 CV 1
ASSI { 2631}
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 69 and name HA ))
4.100 2.100 1.900 peak 2631 weight 0.10000E+01 volume 0.12771E-02 ppm1 1.233 ppm2 3.667 CV 1
ASSI { 2632}
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 69 and name HD2 ))
2.500 0.800 0.800 peak 2632 weight 0.10000E+01 volume 0.35246E-02 ppm1 1.234 ppm2 2.417 CV 1
ASSI { 2633}
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 69 and name HG3 ))
1.900 0.400 0.400 peak 2633 weight 0.10000E+01 volume 0.13390E-01 ppm1 1.232 ppm2 0.870 CV 1
ASSI { 2635}
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 58 and name HA ))
2.800 1.000 1.000 peak 2635 weight 0.10000E+01 volume 0.22211E-02 ppm1 1.021 ppm2 5.388 CV 1
ASSI { 2638}
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 58 and name HB3 ))
2.700 0.900 0.900 peak 2638 weight 0.10000E+01 volume 0.36837E-02 ppm1 1.021 ppm2 1.876 CV 1
ASSI { 2644}
(( segid " " and resid 69 and name HG3 ))
(( segid " " and resid 68 and name HA ))
4.400 2.500 1.600 peak 2644 weight 0.10000E+01 volume 0.89586E-03 ppm1 0.879 ppm2 5.307 CV 1
ASSI { 2645}
(( segid " " and resid 69 and name HG3 ))
(( segid " " and resid 69 and name HA ))
3.500 1.500 1.500 peak 2645 weight 0.10000E+01 volume 0.14312E-02 ppm1 0.876 ppm2 3.684 CV 1
ASSI { 2647}
(( segid " " and resid 69 and name HG3 ))
(( segid " " and resid 69 and name HB2 ))
3.200 1.300 1.300 peak 2647 weight 0.10000E+01 volume 0.30799E-02 ppm1 0.874 ppm2 1.489 CV 1
ASSI { 2648}
(( segid " " and resid 69 and name HG3 ))
(( segid " " and resid 69 and name HG2 ))
1.800 0.400 0.400 peak 2648 weight 0.10000E+01 volume 0.15546E-01 ppm1 0.875 ppm2 1.232 CV 1
OR { 2648}
(( segid " " and resid 69 and name HG3 ))
(( segid " " and resid 69 and name HB3 ))
ASSI { 2678}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 26 and name HB2 ))
2.400 0.700 0.700 peak 2678 weight 0.10000E+01 volume 0.59615E-02 ppm1 2.131 ppm2 2.299 CV 1
ASSI { 2679}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 26 and name HB3 ))
3.000 1.100 1.100 peak 2679 weight 0.10000E+01 volume 0.36314E-02 ppm1 2.132 ppm2 1.925 CV 1
ASSI { 2681}
(( segid " " and resid 26 and name HG3 ))
(( segid " " and resid 26 and name HA ))
3.600 1.600 1.600 peak 2681 weight 0.10000E+01 volume 0.10107E-02 ppm1 2.048 ppm2 4.698 CV 1
ASSI { 2683}
(( segid " " and resid 26 and name HG3 ))
(( segid " " and resid 26 and name HD3 ))
2.600 0.800 0.800 peak 2683 weight 0.10000E+01 volume 0.48237E-02 ppm1 2.035 ppm2 3.806 CV 1
OR { 2683}
(( segid " " and resid 26 and name HG3 ))
(( segid " " and resid 26 and name HD2 ))
ASSI { 2684}
(( segid " " and resid 26 and name HG3 ))
(( segid " " and resid 26 and name HB2 ))
2.800 1.000 1.000 peak 2684 weight 0.10000E+01 volume 0.76835E-02 ppm1 2.040 ppm2 2.310 CV 1
ASSI { 2701}
(( segid " " and resid 42 and name HG12))
(( segid " " and resid 42 and name HG13))
1.700 0.300 0.500 peak 2701 weight 0.10000E+01 volume 0.25634E-01 ppm1 1.224 ppm2 1.032 CV 1
ASSI { 2702}
(( segid " " and resid 42 and name HG12))
( segid " " and resid 42 and name HG2%)
3.300 1.400 1.400 peak 2702 weight 0.10000E+01 volume 0.37644E-02 ppm1 1.222 ppm2 0.572 CV 1
ASSI { 2704}
(( segid " " and resid 42 and name HG13))
(( segid " " and resid 42 and name HA ))
3.500 1.500 1.500 peak 2704 weight 0.10000E+01 volume 0.21405E-02 ppm1 1.035 ppm2 4.789 CV 1
ASSI { 2708}
(( segid " " and resid 42 and name HG13))
( segid " " and resid 42 and name HG2%)
2.700 0.900 0.900 peak 2708 weight 0.10000E+01 volume 0.37840E-02 ppm1 1.033 ppm2 0.570 CV 1
ASSI { 2749}
(( segid " " and resid 24 and name HG12))
(( segid " " and resid 24 and name HG13))
1.700 0.400 0.500 peak 2749 weight 0.10000E+01 volume 0.24238E-01 ppm1 1.274 ppm2 0.989 CV 1
ASSI { 2751}
(( segid " " and resid 24 and name HG13))
(( segid " " and resid 24 and name HA ))
2.900 1.100 1.100 peak 2751 weight 0.10000E+01 volume 0.20695E-02 ppm1 0.993 ppm2 4.257 CV 1
ASSI { 2753}
(( segid " " and resid 24 and name HG13))
( segid " " and resid 24 and name HD1%)
2.300 0.600 0.600 peak 2753 weight 0.10000E+01 volume 0.11722E-01 ppm1 0.990 ppm2 0.786 CV 1
ASSI { 2785}
(( segid " " and resid 45 and name HG ))
( segid " " and resid 45 and name HD1%)
2.700 0.900 0.900 peak 2785 weight 0.10000E+01 volume 0.33567E-02 ppm1 1.597 ppm2 0.478 CV 1
ASSI { 2786}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 44 and name HA ))
3.300 1.400 1.400 peak 2786 weight 0.10000E+01 volume 0.17848E-02 ppm1 1.360 ppm2 4.823 CV 1
ASSI { 2787}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 14 and name HB2 ))
2.600 0.800 0.800 peak 2787 weight 0.10000E+01 volume 0.43442E-02 ppm1 1.360 ppm2 1.927 CV 1
ASSI { 2788}
(( segid " " and resid 14 and name HG3 ))
( segid " " and resid 42 and name HG2%)
3.800 1.800 1.800 peak 2788 weight 0.10000E+01 volume 0.19035E-02 ppm1 1.357 ppm2 0.575 CV 1
ASSI { 2791}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 44 and name HG2 ))
3.300 1.400 1.400 peak 2791 weight 0.10000E+01 volume 0.15544E-02 ppm1 1.353 ppm2 2.096 CV 1
OR { 2791}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 44 and name HG3 ))
ASSI { 2792}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 14 and name HG2 ))
1.800 0.400 0.400 peak 2792 weight 0.10000E+01 volume 0.18658E-01 ppm1 1.354 ppm2 1.672 CV 1
OR { 2792}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 14 and name HD3 ))
ASSI { 2824}
(( segid " " and resid 35 and name HG ))
(( segid " " and resid 35 and name HA ))
3.400 1.500 1.500 peak 2824 weight 0.10000E+01 volume 0.10999E-02 ppm1 1.380 ppm2 4.556 CV 1
ASSI { 2825}
(( segid " " and resid 35 and name HG ))
( segid " " and resid 35 and name HD2%)
2.100 0.500 0.500 peak 2825 weight 0.10000E+01 volume 0.16642E-01 ppm1 1.380 ppm2 0.702 CV 1
ASSI { 2826}
(( segid " " and resid 35 and name HG ))
( segid " " and resid 37 and name HD1%)
3.000 1.100 1.100 peak 2826 weight 0.10000E+01 volume 0.27137E-02 ppm1 1.378 ppm2 0.360 CV 1
ASSI { 2848}
(( segid " " and resid 67 and name HZ3 ))
(( segid " " and resid 67 and name HE3 ))
2.700 0.900 0.900 peak 2848 weight 0.10000E+01 volume 0.40128E-02 ppm1 7.094 ppm2 7.369 CV 1
ASSI { 2852}
(( segid " " and resid 54 and name HZ3 ))
(( segid " " and resid 27 and name HG3 ))
3.400 1.500 1.500 peak 2852 weight 0.10000E+01 volume 0.13578E-02 ppm1 7.041 ppm2 2.097 CV 1
OR { 2852}
(( segid " " and resid 54 and name HZ3 ))
(( segid " " and resid 27 and name HG2 ))
ASSI { 2878}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HB3 ))
2.600 0.800 0.800 peak 2878 weight 0.10000E+01 volume 0.95184E-02 ppm1 0.708 ppm2 1.550 CV 1
ASSI { 2882}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 45 and name HG ))
2.500 0.800 0.800 peak 2882 weight 0.10000E+01 volume 0.83461E-02 ppm1 0.477 ppm2 1.614 CV 1
OR { 2882}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 45 and name HB3 ))
ASSI { 2883}
( segid " " and resid 45 and name HD1%)
(( segid " " and resid 45 and name HB2 ))
2.500 0.800 0.800 peak 2883 weight 0.10000E+01 volume 0.46275E-02 ppm1 0.476 ppm2 1.131 CV 1
ASSI { 2888}
(( segid " " and resid 67 and name HE3 ))
(( segid " " and resid 55 and name HB2 ))
3.500 1.500 1.500 peak 2888 weight 0.10000E+01 volume 0.12832E-02 ppm1 7.361 ppm2 2.077 CV 1
ASSI { 2895}
(( segid " " and resid 54 and name HZ3 ))
(( segid " " and resid 68 and name HA ))
3.100 1.200 1.200 peak 2895 weight 0.10000E+01 volume 0.17222E-02 ppm1 7.041 ppm2 5.299 CV 1
ASSI { 2910}
(( segid " " and resid 37 and name HG ))
(( segid " " and resid 37 and name HB2 ))
3.000 1.100 1.100 peak 2910 weight 0.10000E+01 volume 0.17804E-02 ppm1 2.039 ppm2 1.488 CV 1
ASSI { 2911}
(( segid " " and resid 37 and name HG ))
( segid " " and resid 37 and name HD2%)
2.100 0.500 0.500 peak 2911 weight 0.10000E+01 volume 0.18211E-01 ppm1 2.037 ppm2 0.476 CV 1
ASSI { 2921}
(( segid " " and resid 47 and name HD2 ))
(( segid " " and resid 47 and name HA ))
3.100 1.200 1.200 peak 2921 weight 0.10000E+01 volume 0.23998E-02 ppm1 1.356 ppm2 4.279 CV 1
OR { 2921}
(( segid " " and resid 47 and name HD3 ))
(( segid " " and resid 47 and name HA ))
ASSI { 2924}
(( segid " " and resid 47 and name HD2 ))
(( segid " " and resid 47 and name HG3 ))
2.600 0.800 0.800 peak 2924 weight 0.10000E+01 volume 0.51180E-02 ppm1 1.353 ppm2 1.811 CV 1
OR { 2924}
(( segid " " and resid 47 and name HD3 ))
(( segid " " and resid 47 and name HG3 ))
OR { 2924}
(( segid " " and resid 47 and name HD3 ))
(( segid " " and resid 47 and name HB3 ))
ASSI { 2932}
( segid " " and resid 10 and name HD2%)
(( segid " " and resid 10 and name HA ))
3.800 1.800 1.800 peak 2932 weight 0.10000E+01 volume 0.17146E-02 ppm1 0.896 ppm2 4.317 CV 1
ASSI { 2941}
( segid " " and resid 37 and name HD2%)
(( segid " " and resid 37 and name HA ))
3.100 1.200 1.200 peak 2941 weight 0.10000E+01 volume 0.28772E-02 ppm1 0.475 ppm2 4.501 CV 1
ASSI { 2948}
( segid " " and resid 37 and name HD2%)
(( segid " " and resid 37 and name HB3 ))
2.500 0.800 0.800 peak 2948 weight 0.10000E+01 volume 0.75854E-02 ppm1 0.475 ppm2 1.856 CV 1
ASSI { 2954}
(( segid " " and resid 55 and name HZ3 ))
(( segid " " and resid 55 and name HE3 ))
2.600 0.900 0.900 peak 2954 weight 0.10000E+01 volume 0.49632E-02 ppm1 7.234 ppm2 6.962 CV 1
ASSI { 2976}
(( segid " " and resid 25 and name HG2 ))
( segid " " and resid 21 and name HE% )
3.400 1.500 1.500 peak 2976 weight 0.10000E+01 volume 0.21473E-02 ppm1 2.215 ppm2 7.262 CV 1
OR { 2976}
(( segid " " and resid 25 and name HG3 ))
( segid " " and resid 21 and name HE% )
ASSI { 2981}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HA ))
3.600 1.600 1.600 peak 2981 weight 0.10000E+01 volume 0.18961E-02 ppm1 2.209 ppm2 5.138 CV 1
OR { 2981}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HA ))
ASSI { 2983}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HB3 ))
2.400 0.700 0.700 peak 2983 weight 0.10000E+01 volume 0.74023E-02 ppm1 2.210 ppm2 2.394 CV 1
OR { 2983}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HB3 ))
ASSI { 3000}
(( segid " " and resid 74 and name HD2 ))
(( segid " " and resid 74 and name HB3 ))
3.300 1.300 1.300 peak 3000 weight 0.10000E+01 volume 0.12930E-02 ppm1 7.111 ppm2 3.194 CV 1
ASSI { 3028}
( segid " " and resid 17 and name HG1%)
(( segid " " and resid 39 and name HA ))
3.300 1.400 1.400 peak 3028 weight 0.10000E+01 volume 0.14362E-02 ppm1 0.847 ppm2 3.652 CV 1
ASSI { 3030}
( segid " " and resid 17 and name HG1%)
(( segid " " and resid 17 and name HB ))
2.200 0.600 0.600 peak 3030 weight 0.10000E+01 volume 0.11916E-01 ppm1 0.843 ppm2 2.201 CV 1
ASSI { 3035}
(( segid " " and resid 70 and name HB3 ))
(( segid " " and resid 70 and name HB2 ))
2.100 0.600 0.600 peak 3035 weight 0.10000E+01 volume 0.76028E-02 ppm1 0.630 ppm2 0.895 CV 1
ASSI { 3042}
(( segid " " and resid 74 and name HD2 ))
(( segid " " and resid 16 and name HB3 ))
3.200 1.300 1.300 peak 3042 weight 0.10000E+01 volume 0.21751E-02 ppm1 7.111 ppm2 2.031 CV 1
OR { 3042}
(( segid " " and resid 74 and name HD2 ))
(( segid " " and resid 16 and name HG3 ))
ASSI { 3083}
( segid " " and resid 35 and name HD1%)
(( segid " " and resid 35 and name HG ))
2.400 0.700 0.700 peak 3083 weight 0.10000E+01 volume 0.70971E-02 ppm1 0.838 ppm2 1.384 CV 1
ASSI { 3093}
(( segid " " and resid 34 and name HZ ))
( segid " " and resid 21 and name HE% )
3.600 1.700 1.700 peak 3093 weight 0.10000E+01 volume 0.94166E-03 ppm1 7.799 ppm2 7.288 CV 1
ASSI { 3096}
(( segid " " and resid 54 and name HE3 ))
(( segid " " and resid 54 and name HB3 ))
3.300 1.400 1.400 peak 3096 weight 0.10000E+01 volume 0.10070E-02 ppm1 7.224 ppm2 2.558 CV 1
ASSI { 3098}
(( segid " " and resid 54 and name HE3 ))
(( segid " " and resid 54 and name HA ))
3.400 1.500 1.500 peak 3098 weight 0.10000E+01 volume 0.12943E-02 ppm1 7.222 ppm2 4.684 CV 1
ASSI { 3126}
(( segid " " and resid 52 and name HD2 ))
(( segid " " and resid 52 and name HA ))
3.400 1.400 1.400 peak 3126 weight 0.10000E+01 volume 0.16191E-02 ppm1 7.147 ppm2 4.946 CV 1
ASSI { 3128}
(( segid " " and resid 52 and name HD2 ))
(( segid " " and resid 49 and name HB3 ))
3.600 1.600 1.600 peak 3128 weight 0.10000E+01 volume 0.10886E-02 ppm1 7.144 ppm2 2.034 CV 1
ASSI { 3144}
(( segid " " and resid 62 and name HB ))
(( segid " " and resid 64 and name HB2 ))
3.700 1.700 1.700 peak 3144 weight 0.10000E+01 volume 0.10184E-02 ppm1 4.349 ppm2 1.840 CV 1
ASSI { 3171}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 73 and name HA ))
3.800 1.800 1.800 peak 3171 weight 0.10000E+01 volume 0.11140E-02 ppm1 0.543 ppm2 5.331 CV 1
ASSI { 3172}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 18 and name HA ))
3.800 1.800 1.800 peak 3172 weight 0.10000E+01 volume 0.12551E-02 ppm1 0.543 ppm2 5.054 CV 1
ASSI { 3174}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 17 and name HA ))
2.500 0.800 0.800 peak 3174 weight 0.10000E+01 volume 0.79364E-02 ppm1 0.542 ppm2 3.960 CV 1
ASSI { 3178}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 17 and name HB ))
2.200 0.600 0.600 peak 3178 weight 0.10000E+01 volume 0.11328E-01 ppm1 0.543 ppm2 2.195 CV 1
ASSI { 3187}
(( segid " " and resid 52 and name HD2 ))
(( segid " " and resid 52 and name HB2 ))
3.300 1.300 1.300 peak 3187 weight 0.10000E+01 volume 0.15931E-02 ppm1 7.143 ppm2 3.526 CV 1
OR { 3187}
(( segid " " and resid 52 and name HD2 ))
(( segid " " and resid 52 and name HB3 ))
ASSI { 3188}
(( segid " " and resid 52 and name HD2 ))
(( segid " " and resid 49 and name HB2 ))
3.400 1.400 1.400 peak 3188 weight 0.10000E+01 volume 0.98610E-03 ppm1 7.145 ppm2 1.726 CV 1
ASSI { 3189}
( segid " " and resid 34 and name HE% )
( segid " " and resid 21 and name HE% )
3.800 1.800 1.800 peak 3189 weight 0.10000E+01 volume 0.11275E-02 ppm1 7.031 ppm2 7.276 CV 1
ASSI { 3195}
( segid " " and resid 76 and name HE% )
(( segid " " and resid 76 and name HB2 ))
3.600 1.600 1.600 peak 3195 weight 0.10000E+01 volume 0.26593E-02 ppm1 6.738 ppm2 2.803 CV 1
ASSI { 3229}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 45 and name HA ))
3.800 1.800 1.800 peak 3229 weight 0.10000E+01 volume 0.15544E-02 ppm1 0.983 ppm2 4.463 CV 1
ASSI { 3231}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 46 and name HB ))
2.100 0.500 0.500 peak 3231 weight 0.10000E+01 volume 0.19946E-01 ppm1 0.981 ppm2 4.017 CV 1
ASSI { 3232}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 57 and name HA2 ))
3.400 1.500 1.500 peak 3232 weight 0.10000E+01 volume 0.26767E-02 ppm1 0.980 ppm2 3.784 CV 1
ASSI { 3234}
( segid " " and resid 46 and name HG2%)
(( segid " " and resid 58 and name HB2 ))
2.900 1.100 1.100 peak 3234 weight 0.10000E+01 volume 0.34352E-02 ppm1 0.981 ppm2 1.531 CV 1
ASSI { 3240}
( segid " " and resid 34 and name HE% )
(( segid " " and resid 34 and name HZ ))
2.800 0.900 0.900 peak 3240 weight 0.10000E+01 volume 0.36619E-02 ppm1 7.031 ppm2 7.800 CV 1
ASSI { 3246}
( segid " " and resid 22 and name HE% )
(( segid " " and resid 20 and name HB2 ))
2.800 1.000 1.000 peak 3246 weight 0.10000E+01 volume 0.21062E-02 ppm1 6.753 ppm2 1.987 CV 1
ASSI { 3263}
( segid " " and resid 12 and name HD2%)
(( segid " " and resid 13 and name HD3 ))
3.500 1.600 1.600 peak 3263 weight 0.10000E+01 volume 0.33655E-02 ppm1 0.835 ppm2 3.551 CV 1
ASSI { 3265}
( segid " " and resid 12 and name HD2%)
(( segid " " and resid 12 and name HB2 ))
2.800 1.000 1.000 peak 3265 weight 0.10000E+01 volume 0.55169E-02 ppm1 0.832 ppm2 1.465 CV 1
ASSI { 3324}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 37 and name HG ))
2.300 0.700 0.700 peak 3324 weight 0.10000E+01 volume 0.99331E-02 ppm1 0.361 ppm2 2.034 CV 1
ASSI { 3325}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 37 and name HB3 ))
2.800 1.000 1.000 peak 3325 weight 0.10000E+01 volume 0.39518E-02 ppm1 0.359 ppm2 1.848 CV 1
ASSI { 3326}
( segid " " and resid 37 and name HD1%)
(( segid " " and resid 37 and name HB2 ))
2.700 0.900 0.900 peak 3326 weight 0.10000E+01 volume 0.61075E-02 ppm1 0.359 ppm2 1.485 CV 1
ASSI { 3355}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 59 and name HA ))
3.700 1.700 1.700 peak 3355 weight 0.10000E+01 volume 0.15066E-02 ppm1 1.258 ppm2 4.618 CV 1
ASSI { 3361}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 42 and name HB ))
3.200 1.300 1.300 peak 3361 weight 0.10000E+01 volume 0.12882E-02 ppm1 1.253 ppm2 1.692 CV 1
ASSI { 3381}
( segid " " and resid 73 and name HG1%)
(( segid " " and resid 72 and name HB2 ))
3.000 1.200 1.200 peak 3381 weight 0.10000E+01 volume 0.21647E-02 ppm1 0.570 ppm2 2.541 CV 1
ASSI { 3382}
( segid " " and resid 73 and name HG1%)
(( segid " " and resid 73 and name HB ))
2.200 0.600 0.600 peak 3382 weight 0.10000E+01 volume 0.14310E-01 ppm1 0.570 ppm2 2.083 CV 1
ASSI { 3425}
( segid " " and resid 43 and name HG1%)
(( segid " " and resid 59 and name HB2 ))
3.600 1.600 1.600 peak 3425 weight 0.10000E+01 volume 0.15783E-02 ppm1 0.418 ppm2 2.433 CV 1
ASSI { 3427}
( segid " " and resid 43 and name HG1%)
(( segid " " and resid 15 and name HB2 ))
3.300 1.300 1.300 peak 3427 weight 0.10000E+01 volume 0.14957E-02 ppm1 0.414 ppm2 1.878 CV 1
ASSI { 3428}
( segid " " and resid 43 and name HG1%)
(( segid " " and resid 43 and name HB ))
2.200 0.600 0.600 peak 3428 weight 0.10000E+01 volume 0.13861E-01 ppm1 0.416 ppm2 1.531 CV 1
ASSI { 3432}
( segid " " and resid 43 and name HG1%)
(( segid " " and resid 68 and name HZ ))
3.300 1.400 1.400 peak 3432 weight 0.10000E+01 volume 0.14423E-02 ppm1 0.413 ppm2 6.984 CV 1
ASSI { 3433}
( segid " " and resid 43 and name HG1%)
(( segid " " and resid 41 and name HB3 ))
3.200 1.300 1.300 peak 3433 weight 0.10000E+01 volume 0.24151E-02 ppm1 0.413 ppm2 2.692 CV 1
OR { 3433}
( segid " " and resid 43 and name HG1%)
(( segid " " and resid 41 and name HB2 ))
ASSI { 3434}
( segid " " and resid 43 and name HG1%)
(( segid " " and resid 15 and name HB3 ))
3.500 1.500 1.500 peak 3434 weight 0.10000E+01 volume 0.19779E-02 ppm1 0.412 ppm2 1.719 CV 1
ASSI { 3452}
(( segid " " and resid 60 and name HB ))
(( segid " " and resid 60 and name HA ))
2.200 0.600 0.600 peak 3452 weight 0.10000E+01 volume 0.14465E-01 ppm1 4.344 ppm2 4.091 CV 1
ASSI { 3453}
(( segid " " and resid 60 and name HB ))
( segid " " and resid 60 and name HG2%)
2.200 0.600 0.600 peak 3453 weight 0.10000E+01 volume 0.15601E-01 ppm1 4.345 ppm2 1.253 CV 1
ASSI { 3476}
( segid " " and resid 62 and name HG2%)
(( segid " " and resid 62 and name HB ))
2.000 0.500 0.500 peak 3476 weight 0.10000E+01 volume 0.28053E-01 ppm1 1.113 ppm2 4.367 CV 1
OR { 3476}
( segid " " and resid 62 and name HG2%)
(( segid " " and resid 62 and name HA ))
ASSI { 3481}
( segid " " and resid 62 and name HG2%)
(( segid " " and resid 64 and name HB2 ))
3.900 1.900 1.900 peak 3481 weight 0.10000E+01 volume 0.87232E-03 ppm1 1.105 ppm2 1.839 CV 1
ASSI { 3499}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 43 and name HB ))
2.200 0.600 0.600 peak 3499 weight 0.10000E+01 volume 0.13798E-01 ppm1 0.552 ppm2 1.534 CV 1
ASSI { 3531}
( segid " " and resid 65 and name HG1%)
(( segid " " and resid 64 and name HA ))
3.700 1.700 1.700 peak 3531 weight 0.10000E+01 volume 0.16597E-02 ppm1 0.840 ppm2 4.403 CV 1
ASSI { 3533}
( segid " " and resid 65 and name HG1%)
(( segid " " and resid 58 and name HD3 ))
2.800 1.000 1.000 peak 3533 weight 0.10000E+01 volume 0.28424E-02 ppm1 0.840 ppm2 3.057 CV 1
ASSI { 3535}
( segid " " and resid 65 and name HG1%)
(( segid " " and resid 58 and name HB2 ))
3.000 1.100 1.100 peak 3535 weight 0.10000E+01 volume 0.62078E-02 ppm1 0.839 ppm2 1.501 CV 1
ASSI { 3539}
( segid " " and resid 65 and name HG2%)
(( segid " " and resid 65 and name HB ))
2.100 0.600 0.600 peak 3539 weight 0.10000E+01 volume 0.17226E-01 ppm1 0.755 ppm2 1.831 CV 1
ASSI { 3553}
(( segid " " and resid 46 and name HB ))
(( segid " " and resid 46 and name HA ))
2.300 0.600 0.600 peak 3553 weight 0.10000E+01 volume 0.12588E-01 ppm1 4.018 ppm2 4.299 CV 1
ASSI { 3611}
( segid " " and resid 77 and name HG1%)
(( segid " " and resid 77 and name HB ))
2.200 0.600 0.600 peak 3611 weight 0.10000E+01 volume 0.15567E-01 ppm1 0.737 ppm2 1.945 CV 1
ASSI { 3643}
( segid " " and resid 73 and name HG2%)
(( segid " " and resid 73 and name HA ))
3.200 1.300 1.300 peak 3643 weight 0.10000E+01 volume 0.37033E-02 ppm1 1.173 ppm2 5.345 CV 1
ASSI { 3644}
( segid " " and resid 73 and name HG2%)
(( segid " " and resid 17 and name HA ))
3.800 1.800 1.800 peak 3644 weight 0.10000E+01 volume 0.11254E-02 ppm1 1.175 ppm2 3.962 CV 1
ASSI { 3648}
( segid " " and resid 73 and name HG2%)
(( segid " " and resid 73 and name HB ))
2.100 0.600 0.600 peak 3648 weight 0.10000E+01 volume 0.15232E-01 ppm1 1.173 ppm2 2.086 CV 1
ASSI { 3658}
( segid " " and resid 48 and name HB% )
(( segid " " and resid 55 and name HD1 ))
3.700 1.700 1.700 peak 3658 weight 0.10000E+01 volume 0.10892E-02 ppm1 0.262 ppm2 7.325 CV 1
ASSI { 3659}
( segid " " and resid 48 and name HB% )
(( segid " " and resid 48 and name HA ))
2.300 0.700 0.700 peak 3659 weight 0.10000E+01 volume 0.98195E-02 ppm1 0.259 ppm2 4.070 CV 1
ASSI { 3660}
( segid " " and resid 48 and name HB% )
(( segid " " and resid 55 and name HB3 ))
4.200 2.200 1.800 peak 3660 weight 0.10000E+01 volume 0.10279E-02 ppm1 0.262 ppm2 2.830 CV 1
ASSI { 3754}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 15 and name HG3 ))
2.900 1.000 1.000 peak 3754 weight 0.10000E+01 volume 0.56542E-02 ppm1 2.095 ppm2 2.470 CV 1
ASSI { 3772}
( segid " " and resid 50 and name HB% )
(( segid " " and resid 50 and name HA ))
2.100 0.500 0.500 peak 3772 weight 0.10000E+01 volume 0.24435E-01 ppm1 1.404 ppm2 4.282 CV 1
ASSI { 3854}
( segid " " and resid 30 and name HB% )
(( segid " " and resid 30 and name HA ))
2.100 0.500 0.500 peak 3854 weight 0.10000E+01 volume 0.23257E-01 ppm1 0.914 ppm2 3.954 CV 1
ASSI { 3888}
( segid " " and resid 42 and name HG2%)
( segid " " and resid 76 and name HD% )
3.300 1.300 1.300 peak 3888 weight 0.10000E+01 volume 0.20507E-02 ppm1 0.577 ppm2 7.024 CV 1
ASSI { 3891}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 42 and name HA ))
2.200 0.600 0.600 peak 3891 weight 0.10000E+01 volume 0.11489E-01 ppm1 0.574 ppm2 4.790 CV 1
ASSI { 3893}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 14 and name HB2 ))
3.500 1.600 1.600 peak 3893 weight 0.10000E+01 volume 0.34025E-02 ppm1 0.574 ppm2 1.928 CV 1
ASSI { 3894}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 42 and name HB ))
2.000 0.500 0.500 peak 3894 weight 0.10000E+01 volume 0.22778E-01 ppm1 0.575 ppm2 1.694 CV 1
ASSI { 3900}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 44 and name HG3 ))
3.500 1.600 1.600 peak 3900 weight 0.10000E+01 volume 0.10500E-02 ppm1 0.572 ppm2 2.084 CV 1
OR { 3900}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 44 and name HG2 ))
ASSI { 3903}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HD3 ))
3.500 1.500 1.500 peak 3903 weight 0.10000E+01 volume 0.89826E-03 ppm1 4.950 ppm2 3.643 CV 1
ASSI { 3933}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 15 and name HA ))
2.500 0.800 0.800 peak 3933 weight 0.10000E+01 volume 0.53229E-02 ppm1 4.957 ppm2 5.215 CV 1
ASSI { 3935}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HD2 ))
3.800 1.800 1.800 peak 3935 weight 0.10000E+01 volume 0.90569E-03 ppm1 4.955 ppm2 4.043 CV 1
ASSI { 3936}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HB2 ))
2.700 0.900 0.900 peak 3936 weight 0.10000E+01 volume 0.61773E-02 ppm1 4.956 ppm2 2.406 CV 1
ASSI { 3937}
(( segid " " and resid 75 and name HA ))
( segid " " and resid 15 and name HE% )
3.100 1.200 1.200 peak 3937 weight 0.10000E+01 volume 0.20668E-02 ppm1 4.955 ppm2 2.090 CV 1
ASSI { 3938}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HB3 ))
2.500 0.800 0.800 peak 3938 weight 0.10000E+01 volume 0.38668E-02 ppm1 4.954 ppm2 1.845 CV 1
ASSI { 3939}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HG2 ))
4.000 2.000 2.000 peak 3939 weight 0.10000E+01 volume 0.11121E-02 ppm1 4.950 ppm2 2.222 CV 1
ASSI { 3989}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 58 and name HG2 ))
3.300 1.300 1.300 peak 3989 weight 0.10000E+01 volume 0.17253E-02 ppm1 4.097 ppm2 1.024 CV 1
ASSI { 4011}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 25 and name HA ))
2.300 0.600 0.600 peak 4011 weight 0.10000E+01 volume 0.79908E-02 ppm1 0.903 ppm2 5.136 CV 1
ASSI { 4015}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 24 and name HG12))
2.500 0.800 0.800 peak 4015 weight 0.10000E+01 volume 0.49131E-02 ppm1 0.902 ppm2 1.280 CV 1
ASSI { 4017}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 26 and name HD3 ))
3.400 1.400 1.400 peak 4017 weight 0.10000E+01 volume 0.29818E-02 ppm1 0.900 ppm2 3.809 CV 1
OR { 4017}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 26 and name HD2 ))
ASSI { 4018}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 25 and name HB2 ))
4.300 2.300 1.700 peak 4018 weight 0.10000E+01 volume 0.13401E-02 ppm1 0.899 ppm2 2.632 CV 1
ASSI { 4019}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 25 and name HB3 ))
3.600 1.600 1.600 peak 4019 weight 0.10000E+01 volume 0.10204E-02 ppm1 0.892 ppm2 2.391 CV 1
ASSI { 4093}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HD2 ))
3.700 1.700 1.700 peak 4093 weight 0.10000E+01 volume 0.11493E-02 ppm1 4.517 ppm2 3.817 CV 1
ASSI { 4095}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 73 and name HA ))
2.400 0.700 0.700 peak 4095 weight 0.10000E+01 volume 0.78382E-02 ppm1 3.975 ppm2 5.339 CV 1
ASSI { 4128}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB2 ))
2.700 0.900 0.900 peak 4128 weight 0.10000E+01 volume 0.88257E-02 ppm1 4.517 ppm2 2.335 CV 1
ASSI { 4129}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB3 ))
2.400 0.700 0.700 peak 4129 weight 0.10000E+01 volume 0.60073E-02 ppm1 4.519 ppm2 1.931 CV 1
ASSI { 4133}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 73 and name HB ))
3.200 1.200 1.200 peak 4133 weight 0.10000E+01 volume 0.15587E-02 ppm1 3.973 ppm2 2.103 CV 1
ASSI { 4146}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 24 and name HA ))
2.100 0.500 0.500 peak 4146 weight 0.10000E+01 volume 0.94661E-02 ppm1 5.136 ppm2 4.257 CV 1
ASSI { 4173}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HD3 ))
3.600 1.600 1.600 peak 4173 weight 0.10000E+01 volume 0.13157E-02 ppm1 4.040 ppm2 2.211 CV 1
ASSI { 4174}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB3 ))
2.600 0.800 0.800 peak 4174 weight 0.10000E+01 volume 0.90632E-02 ppm1 4.040 ppm2 2.008 CV 1
ASSI { 4175}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HG3 ))
3.500 1.600 1.600 peak 4175 weight 0.10000E+01 volume 0.26593E-02 ppm1 4.039 ppm2 1.609 CV 1
ASSI { 4244}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 34 and name HB3 ))
4.200 2.200 1.800 peak 4244 weight 0.10000E+01 volume 0.90066E-03 ppm1 4.703 ppm2 3.143 CV 1
ASSI { 4247}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB2 ))
2.800 1.000 1.000 peak 4247 weight 0.10000E+01 volume 0.54384E-02 ppm1 4.693 ppm2 2.305 CV 1
ASSI { 4275}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 55 and name HZ3 ))
3.600 1.600 1.600 peak 4275 weight 0.10000E+01 volume 0.11249E-02 ppm1 3.682 ppm2 7.222 CV 1
ASSI { 4276}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 54 and name HA ))
2.500 0.800 0.800 peak 4276 weight 0.10000E+01 volume 0.62078E-02 ppm1 3.676 ppm2 4.682 CV 1
ASSI { 4278}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HB2 ))
2.900 1.100 1.100 peak 4278 weight 0.10000E+01 volume 0.41153E-02 ppm1 3.674 ppm2 1.496 CV 1
ASSI { 4279}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HB3 ))
2.300 0.600 0.600 peak 4279 weight 0.10000E+01 volume 0.86251E-02 ppm1 3.676 ppm2 1.237 CV 1
ASSI { 4295}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 61 and name HB% )
3.600 1.600 1.600 peak 4295 weight 0.10000E+01 volume 0.11265E-02 ppm1 4.397 ppm2 1.539 CV 1
ASSI { 4328}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB ))
2.600 0.800 0.800 peak 4328 weight 0.10000E+01 volume 0.48913E-02 ppm1 5.408 ppm2 1.834 CV 1
ASSI { 4330}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 64 and name HA ))
3.900 1.900 1.900 peak 4330 weight 0.10000E+01 volume 0.10659E-02 ppm1 5.396 ppm2 4.407 CV 1
ASSI { 4348}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 54 and name HH2 ))
3.300 1.400 1.400 peak 4348 weight 0.10000E+01 volume 0.14229E-02 ppm1 2.365 ppm2 7.082 CV 1
ASSI { 4352}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB3 ))
2.500 0.800 0.800 peak 4352 weight 0.10000E+01 volume 0.45817E-02 ppm1 2.369 ppm2 1.293 CV 1
ASSI { 4361}
( segid " " and resid 24 and name HD1%)
(( segid " " and resid 24 and name HG12))
2.200 0.600 0.600 peak 4361 weight 0.10000E+01 volume 0.12680E-01 ppm1 0.790 ppm2 1.276 CV 1
ASSI { 4365}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 58 and name HB2 ))
3.700 1.700 1.700 peak 4365 weight 0.10000E+01 volume 0.13098E-02 ppm1 5.403 ppm2 1.507 CV 1
ASSI { 4367}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 59 and name HA ))
2.400 0.700 0.700 peak 4367 weight 0.10000E+01 volume 0.81456E-02 ppm1 4.885 ppm2 4.618 CV 1
ASSI { 4369}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB ))
2.700 0.900 0.900 peak 4369 weight 0.10000E+01 volume 0.40761E-02 ppm1 4.884 ppm2 1.533 CV 1
ASSI { 4372}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HG2%)
2.500 0.800 0.800 peak 4372 weight 0.10000E+01 volume 0.69337E-02 ppm1 4.885 ppm2 0.559 CV 1
ASSI { 4373}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HG1%)
2.600 0.800 0.800 peak 4373 weight 0.10000E+01 volume 0.70797E-02 ppm1 4.884 ppm2 0.409 CV 1
ASSI { 4407}
( segid " " and resid 24 and name HD1%)
(( segid " " and resid 24 and name HB ))
2.600 0.800 0.800 peak 4407 weight 0.10000E+01 volume 0.57850E-02 ppm1 0.789 ppm2 1.677 CV 1
ASSI { 4428}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 68 and name HD% )
3.100 1.200 1.200 peak 4428 weight 0.10000E+01 volume 0.19086E-02 ppm1 3.371 ppm2 7.028 CV 1
ASSI { 4430}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB2 ))
2.400 0.700 0.700 peak 4430 weight 0.10000E+01 volume 0.66764E-02 ppm1 3.374 ppm2 0.885 CV 1
ASSI { 4431}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB3 ))
2.800 1.000 1.000 peak 4431 weight 0.10000E+01 volume 0.57784E-02 ppm1 3.374 ppm2 0.622 CV 1
ASSI { 4442}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 16 and name HA ))
2.400 0.700 0.700 peak 4442 weight 0.10000E+01 volume 0.56476E-02 ppm1 4.787 ppm2 5.098 CV 1
ASSI { 4445}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HG12))
3.000 1.100 1.100 peak 4445 weight 0.10000E+01 volume 0.22865E-02 ppm1 4.782 ppm2 1.230 CV 1
ASSI { 4473}
( segid " " and resid 42 and name HD1%)
( segid " " and resid 76 and name HD% )
2.800 1.000 1.000 peak 4473 weight 0.10000E+01 volume 0.33851E-02 ppm1 0.303 ppm2 7.017 CV 1
ASSI { 4478}
( segid " " and resid 42 and name HD1%)
(( segid " " and resid 16 and name HG3 ))
2.600 0.800 0.800 peak 4478 weight 0.10000E+01 volume 0.64672E-02 ppm1 0.302 ppm2 2.011 CV 1
OR { 4478}
( segid " " and resid 42 and name HD1%)
(( segid " " and resid 16 and name HG2 ))
OR { 4478}
( segid " " and resid 42 and name HD1%)
(( segid " " and resid 16 and name HB3 ))
ASSI { 4480}
( segid " " and resid 42 and name HD1%)
(( segid " " and resid 42 and name HB ))
3.100 1.200 1.200 peak 4480 weight 0.10000E+01 volume 0.56781E-02 ppm1 0.303 ppm2 1.709 CV 1
ASSI { 4481}
( segid " " and resid 42 and name HD1%)
(( segid " " and resid 42 and name HG12))
2.200 0.600 0.600 peak 4481 weight 0.10000E+01 volume 0.11581E-01 ppm1 0.301 ppm2 1.218 CV 1
ASSI { 4482}
( segid " " and resid 42 and name HD1%)
(( segid " " and resid 42 and name HG13))
2.200 0.600 0.600 peak 4482 weight 0.10000E+01 volume 0.11570E-01 ppm1 0.302 ppm2 1.030 CV 1
ASSI { 4503}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 21 and name HE% )
3.600 1.600 1.600 peak 4503 weight 0.10000E+01 volume 0.29775E-02 ppm1 4.667 ppm2 7.287 CV 1
ASSI { 4505}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB2 ))
2.500 0.800 0.800 peak 4505 weight 0.10000E+01 volume 0.61708E-02 ppm1 4.670 ppm2 3.092 CV 1
ASSI { 4506}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB3 ))
2.800 1.000 1.000 peak 4506 weight 0.10000E+01 volume 0.36423E-02 ppm1 4.667 ppm2 2.825 CV 1
ASSI { 4513}
(( segid " " and resid 73 and name HA ))
( segid " " and resid 18 and name HD% )
2.900 1.100 1.100 peak 4513 weight 0.10000E+01 volume 0.25873E-02 ppm1 5.338 ppm2 6.912 CV 1
ASSI { 4519}
(( segid " " and resid 73 and name HA ))
( segid " " and resid 73 and name HG1%)
2.400 0.700 0.700 peak 4519 weight 0.10000E+01 volume 0.99151E-02 ppm1 5.337 ppm2 0.566 CV 1
ASSI { 4564}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 54 and name HE3 ))
3.500 1.600 1.600 peak 4564 weight 0.10000E+01 volume 0.16239E-02 ppm1 5.876 ppm2 7.241 CV 1
ASSI { 4584}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HB2 ))
2.800 1.000 1.000 peak 4584 weight 0.10000E+01 volume 0.58656E-02 ppm1 4.241 ppm2 2.942 CV 1
ASSI { 4597}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 68 and name HD% )
3.400 1.400 1.400 peak 4597 weight 0.10000E+01 volume 0.15962E-02 ppm1 5.879 ppm2 7.035 CV 1
ASSI { 4599}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 56 and name HA ))
2.300 0.700 0.700 peak 4599 weight 0.10000E+01 volume 0.95473E-02 ppm1 5.878 ppm2 4.326 CV 1
ASSI { 4600}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HB2 ))
3.000 1.100 1.100 peak 4600 weight 0.10000E+01 volume 0.37164E-02 ppm1 5.877 ppm2 3.239 CV 1
ASSI { 4602}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 16 and name HB3 ))
3.100 1.200 1.200 peak 4602 weight 0.10000E+01 volume 0.21863E-02 ppm1 4.828 ppm2 2.011 CV 1
OR { 4602}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 16 and name HG3 ))
OR { 4602}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 16 and name HG2 ))
ASSI { 4619}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 34 and name HD% )
2.800 1.000 1.000 peak 4619 weight 0.10000E+01 volume 0.30559E-02 ppm1 4.596 ppm2 7.191 CV 1
ASSI { 4621}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HD3 ))
3.900 1.900 1.900 peak 4621 weight 0.10000E+01 volume 0.12900E-02 ppm1 4.599 ppm2 3.348 CV 1
OR { 4621}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HD2 ))
ASSI { 4622}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB2 ))
2.200 0.600 0.600 peak 4622 weight 0.10000E+01 volume 0.13004E-01 ppm1 4.596 ppm2 1.878 CV 1
OR { 4622}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB3 ))
OR { 4622}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HG3 ))
ASSI { 4623}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HG2 ))
2.800 1.000 1.000 peak 4623 weight 0.10000E+01 volume 0.28315E-02 ppm1 4.597 ppm2 1.570 CV 1
ASSI { 4624}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HB2 ))
2.700 0.900 0.900 peak 4624 weight 0.10000E+01 volume 0.47997E-02 ppm1 4.276 ppm2 1.589 CV 1
ASSI { 4629}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HG2 ))
2.600 0.800 0.800 peak 4629 weight 0.10000E+01 volume 0.93462E-02 ppm1 4.254 ppm2 2.154 CV 1
OR { 4629}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HG3 ))
ASSI { 4630}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HG2%)
2.500 0.800 0.800 peak 4630 weight 0.10000E+01 volume 0.76748E-02 ppm1 4.261 ppm2 0.907 CV 1
ASSI { 4631}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HD1%)
3.300 1.400 1.400 peak 4631 weight 0.10000E+01 volume 0.40151E-02 ppm1 4.257 ppm2 0.785 CV 1
ASSI { 4632}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 31 and name HD% )
3.100 1.200 1.200 peak 4632 weight 0.10000E+01 volume 0.22538E-02 ppm1 3.999 ppm2 6.135 CV 1
ASSI { 4635}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB3 ))
2.500 0.800 0.800 peak 4635 weight 0.10000E+01 volume 0.57610E-02 ppm1 4.006 ppm2 1.268 CV 1
ASSI { 4653}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 18 and name HD% )
3.400 1.400 1.400 peak 4653 weight 0.10000E+01 volume 0.16300E-02 ppm1 5.056 ppm2 6.909 CV 1
ASSI { 4655}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 39 and name HA ))
3.200 1.300 1.300 peak 4655 weight 0.10000E+01 volume 0.18343E-02 ppm1 5.055 ppm2 3.652 CV 1
ASSI { 4657}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
2.400 0.700 0.700 peak 4657 weight 0.10000E+01 volume 0.82741E-02 ppm1 5.053 ppm2 2.571 CV 1
ASSI { 4658}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 39 and name HB3 ))
3.500 1.500 1.500 peak 4658 weight 0.10000E+01 volume 0.15801E-02 ppm1 5.052 ppm2 2.129 CV 1
ASSI { 4660}
(( segid " " and resid 76 and name HA ))
( segid " " and resid 76 and name HE% )
4.100 2.100 1.900 peak 4660 weight 0.10000E+01 volume 0.11500E-02 ppm1 4.838 ppm2 6.741 CV 1
ASSI { 4663}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HB3 ))
2.700 0.900 0.900 peak 4663 weight 0.10000E+01 volume 0.61817E-02 ppm1 4.828 ppm2 2.737 CV 1
ASSI { 4664}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 16 and name HB2 ))
3.300 1.300 1.300 peak 4664 weight 0.10000E+01 volume 0.20788E-02 ppm1 4.828 ppm2 1.851 CV 1
ASSI { 4665}
(( segid " " and resid 76 and name HA ))
( segid " " and resid 77 and name HG1%)
3.900 1.900 1.900 peak 4665 weight 0.10000E+01 volume 0.10711E-02 ppm1 4.825 ppm2 0.751 CV 1
ASSI { 4682}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HB3 ))
2.800 1.000 1.000 peak 4682 weight 0.10000E+01 volume 0.29034E-02 ppm1 4.686 ppm2 2.562 CV 1
ASSI { 4696}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HZ ))
4.000 2.000 2.000 peak 4696 weight 0.10000E+01 volume 0.90722E-03 ppm1 5.819 ppm2 7.814 CV 1
ASSI { 4697}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 34 and name HD% )
3.300 1.400 1.400 peak 4697 weight 0.10000E+01 volume 0.16581E-02 ppm1 5.817 ppm2 7.177 CV 1
ASSI { 4698}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 27 and name HD2 ))
4.100 2.100 1.900 peak 4698 weight 0.10000E+01 volume 0.11352E-02 ppm1 5.818 ppm2 4.109 CV 1
ASSI { 4700}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 34 and name HE% )
4.000 2.000 2.000 peak 4700 weight 0.10000E+01 volume 0.10725E-02 ppm1 5.811 ppm2 7.037 CV 1
ASSI { 4702}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
2.400 0.700 0.700 peak 4702 weight 0.10000E+01 volume 0.67723E-02 ppm1 5.815 ppm2 3.900 CV 1
ASSI { 4703}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB3 ))
2.700 0.900 0.900 peak 4703 weight 0.10000E+01 volume 0.60989E-02 ppm1 5.814 ppm2 3.154 CV 1
ASSI { 4704}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 23 and name HA1 ))
4.100 2.100 1.900 peak 4704 weight 0.10000E+01 volume 0.90415E-03 ppm1 5.809 ppm2 2.397 CV 1
OR { 4704}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 23 and name HA2 ))
ASSI { 4705}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 27 and name HG3 ))
2.800 1.000 1.000 peak 4705 weight 0.10000E+01 volume 0.36750E-02 ppm1 5.815 ppm2 2.105 CV 1
OR { 4705}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 27 and name HG2 ))
ASSI { 4722}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HE3 ))
3.000 1.100 1.100 peak 4722 weight 0.10000E+01 volume 0.33109E-02 ppm1 4.685 ppm2 7.212 CV 1
OR { 4722}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HD1 ))
ASSI { 4724}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HB2 ))
2.900 1.000 1.000 peak 4724 weight 0.10000E+01 volume 0.46450E-02 ppm1 4.685 ppm2 3.025 CV 1
ASSI { 4727}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB3 ))
2.500 0.800 0.800 peak 4727 weight 0.10000E+01 volume 0.10247E-01 ppm1 4.400 ppm2 2.012 CV 1
ASSI { 4729}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 39 and name HD3 ))
2.800 1.000 1.000 peak 4729 weight 0.10000E+01 volume 0.25938E-02 ppm1 3.924 ppm2 3.627 CV 1
ASSI { 4730}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB3 ))
2.200 0.600 0.600 peak 4730 weight 0.10000E+01 volume 0.14242E-01 ppm1 3.925 ppm2 1.996 CV 1
OR { 4730}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 4731}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 38 and name HA ))
2.800 1.000 1.000 peak 4731 weight 0.10000E+01 volume 0.34483E-02 ppm1 3.924 ppm2 5.262 CV 1
ASSI { 4747}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB2 ))
2.900 1.000 1.000 peak 4747 weight 0.10000E+01 volume 0.37361E-02 ppm1 5.050 ppm2 1.920 CV 1
ASSI { 4749}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HG3 ))
2.700 0.900 0.900 peak 4749 weight 0.10000E+01 volume 0.35137E-02 ppm1 5.050 ppm2 1.352 CV 1
ASSI { 4764}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB2 ))
2.600 0.800 0.800 peak 4764 weight 0.10000E+01 volume 0.49262E-02 ppm1 4.398 ppm2 1.746 CV 1
ASSI { 4767}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG2 ))
3.200 1.300 1.300 peak 4767 weight 0.10000E+01 volume 0.32914E-02 ppm1 3.928 ppm2 2.163 CV 1
OR { 4767}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG3 ))
ASSI { 4784}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 54 and name HE3 ))
3.100 1.200 1.200 peak 4784 weight 0.10000E+01 volume 0.16320E-02 ppm1 5.292 ppm2 7.219 CV 1
ASSI { 4789}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 69 and name HD3 ))
2.200 0.600 0.600 peak 4789 weight 0.10000E+01 volume 0.65783E-02 ppm1 5.294 ppm2 2.378 CV 1
ASSI { 4790}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 34 and name HZ ))
3.500 1.500 1.500 peak 4790 weight 0.10000E+01 volume 0.11289E-02 ppm1 5.286 ppm2 7.803 CV 1
ASSI { 4814}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB3 ))
2.800 1.000 1.000 peak 4814 weight 0.10000E+01 volume 0.36815E-02 ppm1 4.464 ppm2 1.629 CV 1
OR { 4814}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HG ))
ASSI { 4819}
(( segid " " and resid 45 and name HA ))
( segid " " and resid 45 and name HD2%)
3.100 1.200 1.200 peak 4819 weight 0.10000E+01 volume 0.71996E-02 ppm1 4.462 ppm2 0.834 CV 1
ASSI { 4822}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB3 ))
2.400 0.700 0.700 peak 4822 weight 0.10000E+01 volume 0.10476E-01 ppm1 4.418 ppm2 2.685 CV 1
OR { 4822}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB2 ))
ASSI { 4823}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG ))
2.500 0.800 0.800 peak 4823 weight 0.10000E+01 volume 0.61402E-02 ppm1 4.340 ppm2 1.607 CV 1
OR { 4823}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
ASSI { 4827}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB2 ))
2.800 1.000 1.000 peak 4827 weight 0.10000E+01 volume 0.49326E-02 ppm1 3.950 ppm2 2.549 CV 1
ASSI { 4828}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HG3 ))
2.900 1.000 1.000 peak 4828 weight 0.10000E+01 volume 0.27878E-02 ppm1 3.952 ppm2 1.703 CV 1
ASSI { 4829}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB3 ))
2.500 0.800 0.800 peak 4829 weight 0.10000E+01 volume 0.54798E-02 ppm1 3.951 ppm2 1.485 CV 1
ASSI { 4855}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB2 ))
2.400 0.700 0.700 peak 4855 weight 0.10000E+01 volume 0.84790E-02 ppm1 4.219 ppm2 3.186 CV 1
ASSI { 4856}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB3 ))
2.600 0.800 0.800 peak 4856 weight 0.10000E+01 volume 0.69315E-02 ppm1 4.217 ppm2 2.866 CV 1
ASSI { 4857}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 58 and name HG3 ))
2.800 1.000 1.000 peak 4857 weight 0.10000E+01 volume 0.30058E-02 ppm1 4.219 ppm2 1.268 CV 1
ASSI { 4858}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 58 and name HG2 ))
2.800 1.000 1.000 peak 4858 weight 0.10000E+01 volume 0.29753E-02 ppm1 4.219 ppm2 1.023 CV 1
ASSI { 4901}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB2 ))
2.600 0.800 0.800 peak 4901 weight 0.10000E+01 volume 0.87494E-02 ppm1 4.724 ppm2 3.217 CV 1
ASSI { 4903}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 36 and name HG3 ))
3.100 1.200 1.200 peak 4903 weight 0.10000E+01 volume 0.26309E-02 ppm1 4.723 ppm2 1.883 CV 1
OR { 4903}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 36 and name HB2 ))
OR { 4903}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 36 and name HB3 ))
ASSI { 4908}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB3 ))
2.900 1.100 1.100 peak 4908 weight 0.10000E+01 volume 0.31955E-02 ppm1 4.582 ppm2 2.680 CV 1
OR { 4908}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB2 ))
ASSI { 4910}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HG2 ))
3.000 1.100 1.100 peak 4910 weight 0.10000E+01 volume 0.31518E-02 ppm1 4.412 ppm2 2.298 CV 1
ASSI { 4911}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HG3 ))
3.100 1.200 1.200 peak 4911 weight 0.10000E+01 volume 0.35507E-02 ppm1 4.411 ppm2 2.184 CV 1
ASSI { 4930}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB3 ))
2.400 0.700 0.700 peak 4930 weight 0.10000E+01 volume 0.75549E-02 ppm1 5.098 ppm2 2.017 CV 1
OR { 4930}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG2 ))
OR { 4930}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG3 ))
ASSI { 4933}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
2.700 0.900 0.900 peak 4933 weight 0.10000E+01 volume 0.45207E-02 ppm1 5.096 ppm2 1.854 CV 1
ASSI { 4935}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 14 and name HA ))
2.400 0.700 0.700 peak 4935 weight 0.10000E+01 volume 0.64520E-02 ppm1 4.820 ppm2 5.050 CV 1
ASSI { 4938}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HB2 ))
2.800 1.000 1.000 peak 4938 weight 0.10000E+01 volume 0.46144E-02 ppm1 4.820 ppm2 1.928 CV 1
ASSI { 4939}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HB3 ))
2.600 0.800 0.800 peak 4939 weight 0.10000E+01 volume 0.44597E-02 ppm1 4.819 ppm2 1.848 CV 1
ASSI { 4940}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 45 and name HB3 ))
3.400 1.500 1.500 peak 4940 weight 0.10000E+01 volume 0.26527E-02 ppm1 4.821 ppm2 1.646 CV 1
ASSI { 4950}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HB3 ))
3.000 1.200 1.200 peak 4950 weight 0.10000E+01 volume 0.30385E-02 ppm1 4.508 ppm2 1.849 CV 1
ASSI { 4951}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 61 and name HB% )
2.100 0.500 0.500 peak 4951 weight 0.10000E+01 volume 0.21994E-01 ppm1 4.419 ppm2 1.542 CV 1
ASSI { 4980}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HG ))
3.400 1.400 1.400 peak 4980 weight 0.10000E+01 volume 0.14402E-02 ppm1 4.508 ppm2 2.042 CV 1
ASSI { 4981}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HB2 ))
2.500 0.800 0.800 peak 4981 weight 0.10000E+01 volume 0.41414E-02 ppm1 4.507 ppm2 1.493 CV 1
ASSI { 5000}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HD2 ))
3.700 1.700 1.700 peak 5000 weight 0.10000E+01 volume 0.12256E-02 ppm1 5.399 ppm2 7.114 CV 1
ASSI { 5001}
(( segid " " and resid 55 and name HA ))
( segid " " and resid 48 and name HB% )
4.100 2.100 1.900 peak 5001 weight 0.10000E+01 volume 0.87385E-03 ppm1 5.225 ppm2 0.266 CV 1
ASSI { 5014}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB3 ))
2.600 0.900 0.900 peak 5014 weight 0.10000E+01 volume 0.56760E-02 ppm1 4.687 ppm2 2.800 CV 1
OR { 5014}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 5015}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 43 and name HG2%)
3.000 1.200 1.200 peak 5015 weight 0.10000E+01 volume 0.21455E-02 ppm1 4.622 ppm2 0.557 CV 1
ASSI { 5018}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB2 ))
2.600 0.900 0.900 peak 5018 weight 0.10000E+01 volume 0.58918E-02 ppm1 4.617 ppm2 2.428 CV 1
ASSI { 5023}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HB2 ))
2.500 0.800 0.800 peak 5023 weight 0.10000E+01 volume 0.94382E-02 ppm1 4.521 ppm2 3.161 CV 1
ASSI { 5024}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HB3 ))
2.400 0.700 0.700 peak 5024 weight 0.10000E+01 volume 0.88453E-02 ppm1 4.521 ppm2 2.656 CV 1
ASSI { 5025}
(( segid " " and resid 2 and name HA ))
( segid " " and resid 2 and name HB% )
2.900 1.100 1.100 peak 5025 weight 0.10000E+01 volume 0.29862E-02 ppm1 4.257 ppm2 1.415 CV 1
ASSI { 5038}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 75 and name HD2 ))
2.400 0.700 0.700 peak 5038 weight 0.10000E+01 volume 0.86861E-02 ppm1 5.397 ppm2 4.045 CV 1
ASSI { 5040}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HB3 ))
2.700 0.900 0.900 peak 5040 weight 0.10000E+01 volume 0.60814E-02 ppm1 5.397 ppm2 3.205 CV 1
ASSI { 5044}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB3 ))
2.500 0.800 0.800 peak 5044 weight 0.10000E+01 volume 0.45469E-02 ppm1 5.388 ppm2 1.883 CV 1
ASSI { 5045}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB2 ))
2.800 1.000 1.000 peak 5045 weight 0.10000E+01 volume 0.55343E-02 ppm1 5.386 ppm2 1.504 CV 1
ASSI { 5050}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HE3 ))
3.300 1.400 1.400 peak 5050 weight 0.10000E+01 volume 0.27137E-02 ppm1 5.229 ppm2 6.959 CV 1
ASSI { 5051}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 48 and name HA ))
3.000 1.100 1.100 peak 5051 weight 0.10000E+01 volume 0.25350E-02 ppm1 5.229 ppm2 4.065 CV 1
ASSI { 5053}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HB3 ))
2.800 1.000 1.000 peak 5053 weight 0.10000E+01 volume 0.54296E-02 ppm1 5.224 ppm2 2.816 CV 1
ASSI { 5054}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HG3 ))
3.300 1.400 1.400 peak 5054 weight 0.10000E+01 volume 0.21971E-02 ppm1 5.215 ppm2 2.465 CV 1
ASSI { 5055}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HB2 ))
2.500 0.800 0.800 peak 5055 weight 0.10000E+01 volume 0.49305E-02 ppm1 5.223 ppm2 2.074 CV 1
ASSI { 5056}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB3 ))
2.400 0.700 0.700 peak 5056 weight 0.10000E+01 volume 0.38494E-02 ppm1 5.217 ppm2 1.721 CV 1
ASSI { 5059}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 56 and name HG3 ))
4.200 2.200 1.800 peak 5059 weight 0.10000E+01 volume 0.10282E-02 ppm1 5.224 ppm2 0.568 CV 1
ASSI { 5061}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB2 ))
2.700 0.900 0.900 peak 5061 weight 0.10000E+01 volume 0.56955E-02 ppm1 5.214 ppm2 1.881 CV 1
ASSI { 5078}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HD2 ))
2.400 0.700 0.700 peak 5078 weight 0.10000E+01 volume 0.10563E-01 ppm1 4.585 ppm2 3.817 CV 1
ASSI { 5080}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB3 ))
2.600 0.900 0.900 peak 5080 weight 0.10000E+01 volume 0.51092E-02 ppm1 4.584 ppm2 1.533 CV 1
ASSI { 5081}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB2 ))
2.500 0.800 0.800 peak 5081 weight 0.10000E+01 volume 0.50744E-02 ppm1 4.586 ppm2 1.472 CV 1
ASSI { 5085}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HB2 ))
2.800 1.000 1.000 peak 5085 weight 0.10000E+01 volume 0.26702E-02 ppm1 4.329 ppm2 1.230 CV 1
ASSI { 5088}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HB3 ))
2.900 1.100 1.100 peak 5088 weight 0.10000E+01 volume 0.34526E-02 ppm1 4.326 ppm2 -0.788 CV 1
ASSI { 5121}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB2 ))
2.500 0.800 0.800 peak 5121 weight 0.10000E+01 volume 0.38537E-02 ppm1 4.567 ppm2 1.957 CV 1
Contact the webmaster for help, if required. Wednesday, May 1, 2024 11:32:16 PM GMT (wattos1)