NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
7670 |
1kup   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 8}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 6 and name HA ))
2.400 0.700 0.700 peak 8 weight 0.10000E+01 volume 0.74413E-02 ppm1 7.989 ppm2 4.492 CV 1
OR { 8}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 6 and name HA ))
ASSI { 31}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 25 and name HA ))
2.500 0.800 0.800 peak 31 weight 0.10000E+01 volume 0.45153E-02 ppm1 8.187 ppm2 4.142 CV 1
OR { 31}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 27 and name HA ))
ASSI { 35}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 31 and name HA ))
2.300 0.700 0.700 peak 35 weight 0.10000E+01 volume 0.81277E-02 ppm1 8.066 ppm2 4.221 CV 1
OR { 35}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 24 and name HA ))
ASSI { 39}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 32 and name HA ))
2.400 0.700 0.700 peak 39 weight 0.10000E+01 volume 0.64661E-02 ppm1 7.938 ppm2 4.213 CV 1
OR { 39}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 31 and name HA ))
OR { 39}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 30 and name HA ))
ASSI { 40}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 31 and name HA ))
2.500 0.800 0.800 peak 40 weight 0.10000E+01 volume 0.57436E-02 ppm1 7.939 ppm2 4.176 CV 1
OR { 40}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 30 and name HA ))
ASSI { 89}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 14 and name HB2 ))
2.900 1.100 1.100 peak 89 weight 0.10000E+01 volume 0.56352E-02 ppm1 8.390 ppm2 1.596 CV 1
OR { 89}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 13 and name HG ))
ASSI { 91}
(( segid "B " and resid 21 and name HN ))
(( segid "B " and resid 20 and name HG1 ))
3.400 1.400 1.400 peak 91 weight 0.10000E+01 volume 0.20950E-02 ppm1 8.345 ppm2 1.683 CV 1
OR { 91}
(( segid "B " and resid 21 and name HN ))
(( segid "B " and resid 21 and name HD1 ))
ASSI { 97}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 24 and name HB2 ))
3.600 1.700 1.700 peak 97 weight 0.10000E+01 volume 0.22036E-02 ppm1 8.191 ppm2 1.370 CV 1
OR { 97}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 24 and name HB1 ))
OR { 97}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 25 and name HG1 ))
ASSI { 103}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 30 and name HB1 ))
2.500 0.800 0.800 peak 103 weight 0.10000E+01 volume 0.34677E-02 ppm1 8.067 ppm2 1.803 CV 1
OR { 103}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 30 and name HB1 ))
ASSI { 104}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 30 and name HB2 ))
3.200 1.300 1.300 peak 104 weight 0.10000E+01 volume 0.46598E-02 ppm1 8.066 ppm2 1.739 CV 1
OR { 104}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 30 and name HB2 ))
ASSI { 131}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 14 and name HD21))
3.600 1.600 1.600 peak 131 weight 0.10000E+01 volume 0.27815E-02 ppm1 8.385 ppm2 0.927 CV 1
OR { 131}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 14 and name HD23))
OR { 131}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 14 and name HD22))
OR { 131}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 13 and name HD11))
ASSI { 132}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 14 and name HD11))
3.700 1.700 1.700 peak 132 weight 0.10000E+01 volume 0.21675E-02 ppm1 8.389 ppm2 0.896 CV 1
OR { 132}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 14 and name HD13))
OR { 132}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 14 and name HD12))
OR { 132}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 13 and name HD11))
ASSI { 148}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 22 and name HA ))
2.400 0.700 0.700 peak 148 weight 0.10000E+01 volume 0.88862E-02 ppm1 8.265 ppm2 4.214 CV 1
OR { 148}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 21 and name HA ))
ASSI { 187}
( segid "B " and resid 26 and name HE% )
( segid "B " and resid 26 and name HD% )
1.500 0.300 0.700 peak 187 weight 0.10000E+01 volume 0.12560E+00 ppm1 7.344 ppm2 7.222 CV 1
OR { 187}
( segid "A " and resid 7 and name HE% )
( segid "A " and resid 7 and name HD% )
ASSI { 205}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 17 and name HN ))
2.900 1.100 1.100 peak 205 weight 0.10000E+01 volume 0.35763E-02 ppm1 8.274 ppm2 8.082 CV 1
OR { 205}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 23 and name HN ))
ASSI { 212}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 36 and name HN ))
2.300 0.600 0.600 peak 212 weight 0.10000E+01 volume 0.69718E-02 ppm1 7.979 ppm2 8.023 CV 1
OR { 212}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 34 and name HN ))
ASSI { 214}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 31 and name HN ))
2.500 0.800 0.800 peak 214 weight 0.10000E+01 volume 0.40458E-02 ppm1 7.939 ppm2 8.059 CV 1
OR { 214}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 30 and name HN ))
ASSI { 221}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 21 and name HN ))
2.500 0.800 0.800 peak 221 weight 0.10000E+01 volume 0.41542E-02 ppm1 8.255 ppm2 8.336 CV 1
OR { 221}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 21 and name HN ))
ASSI { 244}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 15 and name HD13))
3.800 1.800 1.800 peak 244 weight 0.10000E+01 volume 0.12282E-02 ppm1 8.522 ppm2 0.804 CV 1
OR { 244}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 17 and name HD12))
OR { 244}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 15 and name HD11))
ASSI { 246}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 23 and name HA ))
3.100 1.200 1.200 peak 246 weight 0.10000E+01 volume 0.17339E-02 ppm1 8.191 ppm2 4.554 CV 1
OR { 246}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 26 and name HA ))
ASSI { 268}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 11 and name HN ))
3.100 1.200 1.200 peak 268 weight 0.10000E+01 volume 0.27454E-02 ppm1 8.381 ppm2 8.267 CV 1
OR { 268}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 16 and name HN ))
ASSI { 373}
(( segid "B " and resid 29 and name HG2 ))
(( segid "B " and resid 26 and name HB1 ))
3.800 1.800 1.800 peak 373 weight 0.10000E+01 volume 0.16617E-02 ppm1 2.334 ppm2 3.158 CV 1
OR { 373}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 26 and name HB1 ))
ASSI { 383}
(( segid "A " and resid 6 and name HB2 ))
(( segid "A " and resid 10 and name HB1 ))
3.600 1.600 1.600 peak 383 weight 0.10000E+01 volume 0.13366E-02 ppm1 2.966 ppm2 2.736 CV 1
OR { 383}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 10 and name HB1 ))
ASSI { 396}
(( segid "B " and resid 21 and name HD1 ))
(( segid "B " and resid 22 and name HG1 ))
4.200 2.200 1.800 peak 396 weight 0.10000E+01 volume 0.13004E-02 ppm1 1.704 ppm2 2.253 CV 1
OR { 396}
(( segid "B " and resid 20 and name HG1 ))
(( segid "B " and resid 22 and name HG1 ))
ASSI { 403}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 26 and name HB2 ))
4.200 2.200 1.800 peak 403 weight 0.10000E+01 volume 0.16617E-02 ppm1 2.383 ppm2 3.132 CV 1
OR { 403}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 26 and name HB1 ))
OR { 403}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 26 and name HB1 ))
ASSI { 457}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 16 and name HG22))
3.000 1.100 1.100 peak 457 weight 0.10000E+01 volume 0.17339E-02 ppm1 8.088 ppm2 1.120 CV 1
OR { 457}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 16 and name HG23))
OR { 457}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 16 and name HG21))
OR { 457}
(( segid "B " and resid 17 and name HN ))
( segid "B " and resid 17 and name HG1%)
ASSI { 7}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 23 and name HA ))
2.100 0.500 0.500 peak 7 weight 0.10000E+01 volume 0.17158E-01 ppm1 7.991 ppm2 4.531 CV 1
OR { 7}
(( segid "B " and resid 36 and name HN ))
(( segid "B " and resid 36 and name HA ))
OR { 7}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 7 and name HA ))
OR { 7}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 6 and name HA ))
ASSI { 29}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 16 and name HB ))
2.300 0.700 0.700 peak 29 weight 0.10000E+01 volume 0.75858E-02 ppm1 8.228 ppm2 4.170 CV 1
OR { 29}
(( segid "B " and resid 16 and name HN ))
(( segid "A " and resid 8 and name HA ))
OR { 29}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 24 and name HA ))
OR { 29}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 25 and name HA ))
OR { 29}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 27 and name HA ))
OR { 29}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 22 and name HA ))
OR { 29}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 28 and name HA ))
OR { 29}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 29 and name HA ))
OR { 29}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 27 and name HA ))
OR { 29}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 15 and name HA ))
OR { 29}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 28 and name HA ))
ASSI { 30}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 24 and name HA ))
2.500 0.800 0.800 peak 30 weight 0.10000E+01 volume 0.70440E-02 ppm1 8.181 ppm2 4.172 CV 1
OR { 30}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 25 and name HA ))
OR { 30}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 27 and name HA ))
OR { 30}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 28 and name HA ))
OR { 30}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 29 and name HA ))
OR { 30}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 27 and name HA ))
OR { 30}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 28 and name HA ))
OR { 30}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 29 and name HA ))
ASSI { 36}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 16 and name HB ))
2.300 0.700 0.700 peak 36 weight 0.10000E+01 volume 0.83445E-02 ppm1 8.063 ppm2 4.172 CV 1
OR { 36}
(( segid "B " and resid 36 and name HN ))
(( segid "B " and resid 33 and name HA ))
OR { 36}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 31 and name HA ))
OR { 36}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 34 and name HA ))
OR { 36}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 30 and name HA ))
OR { 36}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 22 and name HA ))
OR { 36}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 25 and name HA ))
OR { 36}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 30 and name HA ))
OR { 36}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 29 and name HA ))
OR { 36}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 24 and name HA ))
OR { 36}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 31 and name HA ))
ASSI { 38}
(( segid "B " and resid 36 and name HN ))
(( segid "B " and resid 33 and name HA ))
2.000 0.500 0.500 peak 38 weight 0.10000E+01 volume 0.21494E-01 ppm1 8.001 ppm2 4.212 CV 1
OR { 38}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 8 and name HA ))
OR { 38}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 33 and name HA ))
OR { 38}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 24 and name HA ))
OR { 38}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 34 and name HA ))
OR { 38}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 20 and name HA ))
OR { 38}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 30 and name HA ))
OR { 38}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 34 and name HA ))
OR { 38}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 32 and name HA ))
OR { 38}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 33 and name HA ))
OR { 38}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 31 and name HA ))
ASSI { 42}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 32 and name HA ))
2.800 1.000 1.000 peak 42 weight 0.10000E+01 volume 0.31065E-02 ppm1 7.904 ppm2 4.214 CV 1
OR { 42}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 15 and name HA ))
OR { 42}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 31 and name HA ))
OR { 42}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 30 and name HA ))
OR { 42}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 16 and name HB ))
OR { 42}
(( segid "B " and resid 15 and name HN ))
(( segid "A " and resid 8 and name HA ))
ASSI { 48}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 32 and name HA ))
2.600 0.900 0.900 peak 48 weight 0.10000E+01 volume 0.53824E-02 ppm1 7.940 ppm2 4.240 CV 1
OR { 48}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 31 and name HA ))
OR { 48}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 34 and name HA ))
OR { 48}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 32 and name HA ))
OR { 48}
(( segid "B " and resid 15 and name HN ))
(( segid "A " and resid 8 and name HA ))
ASSI { 56}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 26 and name HB2 ))
2.700 0.900 0.900 peak 56 weight 0.10000E+01 volume 0.35402E-02 ppm1 8.026 ppm2 3.085 CV 1
OR { 56}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 7 and name HB1 ))
OR { 56}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 7 and name HB1 ))
OR { 56}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 26 and name HB2 ))
OR { 56}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 26 and name HB2 ))
OR { 56}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 30 and name HD2 ))
ASSI { 58}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 26 and name HB2 ))
2.700 0.900 0.900 peak 58 weight 0.10000E+01 volume 0.39013E-02 ppm1 8.023 ppm2 3.155 CV 1
OR { 58}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 7 and name HB1 ))
OR { 58}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 7 and name HB1 ))
OR { 58}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 32 and name HD2 ))
OR { 58}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 26 and name HB2 ))
OR { 58}
(( segid "B " and resid 36 and name HN ))
(( segid "B " and resid 32 and name HD2 ))
OR { 58}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 26 and name HB2 ))
OR { 58}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 26 and name HB1 ))
OR { 58}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 26 and name HB1 ))
OR { 58}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 9 and name HD1 ))
OR { 58}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 26 and name HB1 ))
ASSI { 76}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 27 and name HB1 ))
2.900 1.100 1.100 peak 76 weight 0.10000E+01 volume 0.66467E-02 ppm1 8.202 ppm2 1.900 CV 1
OR { 76}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 27 and name HB1 ))
ASSI { 77}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 32 and name HB2 ))
3.300 1.300 1.300 peak 77 weight 0.10000E+01 volume 0.21314E-02 ppm1 8.203 ppm2 1.870 CV 1
OR { 77}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 32 and name HB2 ))
OR { 77}
(( segid "B " and resid 19 and name HN ))
(( segid "A " and resid 11 and name HB1 ))
ASSI { 83}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 17 and name HB ))
2.900 1.100 1.100 peak 83 weight 0.10000E+01 volume 0.22036E-02 ppm1 8.077 ppm2 1.861 CV 1
OR { 83}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 12 and name HB2 ))
ASSI { 85}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 17 and name HB ))
2.800 1.000 1.000 peak 85 weight 0.10000E+01 volume 0.24925E-02 ppm1 8.067 ppm2 1.837 CV 1
OR { 85}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 32 and name HB2 ))
ASSI { 105}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 34 and name HD2 ))
3.500 1.500 1.500 peak 105 weight 0.10000E+01 volume 0.20950E-02 ppm1 8.064 ppm2 1.662 CV 1
OR { 105}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 25 and name HD2 ))
OR { 105}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 34 and name HD2 ))
OR { 105}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 25 and name HD2 ))
ASSI { 119}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 32 and name HB2 ))
3.000 1.100 1.100 peak 119 weight 0.10000E+01 volume 0.20950E-02 ppm1 7.987 ppm2 1.815 CV 1
OR { 119}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 32 and name HB1 ))
OR { 119}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 32 and name HB1 ))
OR { 119}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 32 and name HB2 ))
OR { 119}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 8 and name HB2 ))
ASSI { 142}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HG2 ))
3.000 1.100 1.100 peak 142 weight 0.10000E+01 volume 0.24925E-02 ppm1 7.247 ppm2 1.613 CV 1
OR { 142}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 11 and name HG2 ))
OR { 142}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 25 and name HD2 ))
OR { 142}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 13 and name HB2 ))
ASSI { 152}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 22 and name HB2 ))
3.000 1.100 1.100 peak 152 weight 0.10000E+01 volume 0.21314E-02 ppm1 7.244 ppm2 2.028 CV 1
OR { 152}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 27 and name HB2 ))
OR { 152}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 22 and name HB2 ))
ASSI { 166}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HD2 ))
2.200 0.600 0.600 peak 166 weight 0.10000E+01 volume 0.80555E-02 ppm1 7.243 ppm2 3.170 CV 1
OR { 166}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 7 and name HB1 ))
OR { 166}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 26 and name HB1 ))
OR { 166}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 23 and name HB1 ))
OR { 166}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 11 and name HE ))
ASSI { 169}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HD2 ))
2.500 0.800 0.800 peak 169 weight 0.10000E+01 volume 0.43709E-02 ppm1 7.206 ppm2 3.185 CV 1
OR { 169}
(( segid "A " and resid 11 and name HH21))
(( segid "A " and resid 11 and name HE ))
OR { 169}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 26 and name HB1 ))
OR { 169}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 23 and name HB1 ))
ASSI { 171}
(( segid "A " and resid 11 and name HH21))
(( segid "A " and resid 11 and name HE ))
2.700 0.900 0.900 peak 171 weight 0.10000E+01 volume 0.26009E-02 ppm1 7.187 ppm2 3.158 CV 1
OR { 171}
(( segid "B " and resid 20 and name HH21))
(( segid "B " and resid 20 and name HD2 ))
ASSI { 174}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 7 and name HA ))
3.200 1.300 1.300 peak 174 weight 0.10000E+01 volume 0.31427E-02 ppm1 7.344 ppm2 4.540 CV 1
OR { 174}
( segid "B " and resid 23 and name HE% )
(( segid "B " and resid 23 and name HA ))
OR { 174}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 26 and name HA ))
ASSI { 176}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 31 and name HA ))
3.200 1.300 1.300 peak 176 weight 0.10000E+01 volume 0.21675E-02 ppm1 7.341 ppm2 4.177 CV 1
OR { 176}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 27 and name HA ))
OR { 176}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 25 and name HA ))
OR { 176}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 24 and name HA ))
OR { 176}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 16 and name HB ))
OR { 176}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 8 and name HA ))
OR { 176}
( segid "B " and resid 23 and name HE% )
(( segid "B " and resid 25 and name HA ))
ASSI { 177}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HA ))
2.900 1.000 1.000 peak 177 weight 0.10000E+01 volume 0.40458E-02 ppm1 7.249 ppm2 4.215 CV 1
OR { 177}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HA ))
OR { 177}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 22 and name HA ))
OR { 177}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 31 and name HA ))
OR { 177}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 3 and name HA ))
OR { 177}
(( segid "A " and resid 2 and name HD1 ))
(( segid "A " and resid 1 and name HA ))
OR { 177}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 16 and name HB ))
OR { 177}
( segid "A " and resid 7 and name HD% )
(( segid "B " and resid 16 and name HB ))
OR { 177}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 24 and name HA ))
OR { 177}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 8 and name HA ))
ASSI { 178}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 7 and name HA ))
2.400 0.700 0.700 peak 178 weight 0.10000E+01 volume 0.73691E-02 ppm1 7.243 ppm2 4.540 CV 1
OR { 178}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 23 and name HA ))
OR { 178}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 26 and name HA ))
ASSI { 179}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HA ))
3.200 1.200 1.200 peak 179 weight 0.10000E+01 volume 0.26731E-02 ppm1 7.243 ppm2 4.167 CV 1
OR { 179}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HA ))
OR { 179}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 22 and name HA ))
OR { 179}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 27 and name HA ))
OR { 179}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 31 and name HA ))
OR { 179}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 3 and name HA ))
OR { 179}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 16 and name HB ))
OR { 179}
( segid "A " and resid 7 and name HD% )
(( segid "B " and resid 16 and name HB ))
OR { 179}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 8 and name HA ))
ASSI { 180}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HA ))
3.100 1.200 1.200 peak 180 weight 0.10000E+01 volume 0.25648E-02 ppm1 7.224 ppm2 4.212 CV 1
OR { 180}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 22 and name HA ))
OR { 180}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 31 and name HA ))
OR { 180}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 3 and name HA ))
OR { 180}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 16 and name HB ))
OR { 180}
( segid "A " and resid 7 and name HD% )
(( segid "B " and resid 16 and name HB ))
OR { 180}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 24 and name HA ))
OR { 180}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 8 and name HA ))
ASSI { 181}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 18 and name HA ))
3.100 1.200 1.200 peak 181 weight 0.10000E+01 volume 0.36485E-02 ppm1 7.254 ppm2 4.693 CV 1
OR { 181}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 35 and name HA ))
ASSI { 190}
( segid "B " and resid 26 and name HE% )
( segid "B " and resid 26 and name HD% )
1.700 0.400 0.500 peak 190 weight 0.10000E+01 volume 0.61302E-01 ppm1 7.344 ppm2 7.244 CV 1
OR { 190}
( segid "B " and resid 23 and name HE% )
( segid "B " and resid 23 and name HD% )
OR { 190}
( segid "A " and resid 7 and name HE% )
( segid "A " and resid 7 and name HD% )
OR { 190}
( segid "A " and resid 6 and name HE% )
(( segid "A " and resid 6 and name HZ ))
ASSI { 206}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 26 and name HN ))
2.700 0.900 0.900 peak 206 weight 0.10000E+01 volume 0.29982E-02 ppm1 8.196 ppm2 8.056 CV 1
OR { 206}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 30 and name HN ))
OR { 206}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 26 and name HN ))
OR { 206}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 30 and name HN ))
ASSI { 216}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 29 and name HN ))
2.600 0.900 0.900 peak 216 weight 0.10000E+01 volume 0.35763E-02 ppm1 8.019 ppm2 8.188 CV 1
OR { 216}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 25 and name HN ))
OR { 216}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 28 and name HN ))
OR { 216}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 29 and name HN ))
ASSI { 218}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 29 and name HN ))
2.600 0.900 0.900 peak 218 weight 0.10000E+01 volume 0.32871E-02 ppm1 8.076 ppm2 8.243 CV 1
OR { 218}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 22 and name HN ))
OR { 218}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 29 and name HN ))
ASSI { 264}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 32 and name HN ))
3.400 1.400 1.400 peak 264 weight 0.10000E+01 volume 0.14088E-02 ppm1 8.196 ppm2 7.932 CV 1
OR { 264}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 32 and name HN ))
ASSI { 265}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 4 and name HN ))
3.600 1.600 1.600 peak 265 weight 0.10000E+01 volume 0.11921E-02 ppm1 8.245 ppm2 7.826 CV 1
OR { 265}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 2 and name HN ))
ASSI { 286}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 17 and name HG21))
3.500 1.500 1.500 peak 286 weight 0.10000E+01 volume 0.15894E-02 ppm1 7.248 ppm2 0.829 CV 1
OR { 286}
( segid "A " and resid 7 and name HD% )
(( segid "B " and resid 17 and name HD11))
OR { 286}
( segid "A " and resid 7 and name HD% )
(( segid "B " and resid 17 and name HG21))
OR { 286}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HD11))
ASSI { 290}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 17 and name HG21))
3.300 1.300 1.300 peak 290 weight 0.10000E+01 volume 0.18784E-02 ppm1 7.245 ppm2 0.810 CV 1
OR { 290}
( segid "A " and resid 7 and name HD% )
(( segid "B " and resid 17 and name HG21))
ASSI { 291}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 13 and name HD11))
3.500 1.500 1.500 peak 291 weight 0.10000E+01 volume 0.10476E-02 ppm1 7.236 ppm2 0.892 CV 1
OR { 291}
( segid "A " and resid 7 and name HD% )
(( segid "B " and resid 17 and name HD11))
ASSI { 293}
( segid "A " and resid 7 and name HD% )
(( segid "B " and resid 17 and name HD11))
3.700 3.700 2.300 peak 293 weight 0.10000E+01 volume 0.13366E-02 ppm1 7.207 ppm2 0.890 CV 1
OR { 293}
( segid "A " and resid 7 and name HD% )
(( segid "B " and resid 15 and name HG21))
ASSI { 300}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "A " and resid 7 and name HB2 ))
4.000 2.000 2.000 peak 300 weight 0.10000E+01 volume 0.10476E-02 ppm1 7.165 ppm2 2.984 CV 1
OR { 300}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "B " and resid 12 and name HE2 ))
ASSI { 302}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HA ))
3.300 1.400 1.400 peak 302 weight 0.10000E+01 volume 0.15172E-02 ppm1 7.295 ppm2 4.216 CV 1
OR { 302}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HA ))
OR { 302}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 31 and name HA ))
OR { 302}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 16 and name HB ))
OR { 302}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 24 and name HA ))
ASSI { 303}
( segid "A " and resid 7 and name HD% )
(( segid "B " and resid 17 and name HA ))
3.600 1.600 1.600 peak 303 weight 0.10000E+01 volume 0.90307E-03 ppm1 7.292 ppm2 4.146 CV 1
OR { 303}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HA ))
OR { 303}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 27 and name HA ))
OR { 303}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 3 and name HA ))
OR { 303}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 16 and name HB ))
ASSI { 309}
(( segid "A " and resid 3 and name HG2 ))
( segid "A " and resid 7 and name HE% )
4.200 2.200 1.800 peak 309 weight 0.10000E+01 volume 0.79472E-03 ppm1 1.122 ppm2 7.351 CV 1
OR { 309}
( segid "B " and resid 17 and name HG1%)
( segid "A " and resid 7 and name HE% )
OR { 309}
(( segid "B " and resid 16 and name HG21))
( segid "A " and resid 7 and name HE% )
OR { 309}
(( segid "A " and resid 3 and name HG2 ))
(( segid "A " and resid 7 and name HZ ))
ASSI { 311}
( segid "B " and resid 17 and name HG1%)
(( segid "B " and resid 17 and name HG21))
3.400 1.400 1.400 peak 311 weight 0.10000E+01 volume 0.20589E-02 ppm1 1.125 ppm2 0.787 CV 1
OR { 311}
(( segid "B " and resid 16 and name HG21))
(( segid "B " and resid 17 and name HG21))
ASSI { 314}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 13 and name HA ))
3.700 1.700 1.700 peak 314 weight 0.10000E+01 volume 0.13727E-02 ppm1 7.236 ppm2 4.467 CV 1
OR { 314}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 6 and name HA ))
ASSI { 316}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "B " and resid 16 and name HA ))
4.200 2.200 1.800 peak 316 weight 0.10000E+01 volume 0.10837E-02 ppm1 7.131 ppm2 4.427 CV 1
OR { 316}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "B " and resid 13 and name HA ))
ASSI { 318}
( segid "A " and resid 6 and name HD% )
(( segid "A " and resid 9 and name HD1 ))
4.600 2.700 1.400 peak 318 weight 0.10000E+01 volume 0.83083E-03 ppm1 7.103 ppm2 3.119 CV 1
OR { 318}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "A " and resid 7 and name HB1 ))
ASSI { 324}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 19 and name HB2 ))
3.800 1.800 1.800 peak 324 weight 0.10000E+01 volume 0.97533E-03 ppm1 7.316 ppm2 2.779 CV 1
OR { 324}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 10 and name HB1 ))
ASSI { 343}
(( segid "B " and resid 14 and name HD11))
(( segid "B " and resid 19 and name HA ))
3.100 3.100 2.900 peak 343 weight 0.10000E+01 volume 0.93921E-03 ppm1 0.957 ppm2 4.603 CV 1
OR { 343}
( segid "A " and resid 4 and name HG2%)
(( segid "A " and resid 2 and name HA ))
ASSI { 344}
(( segid "B " and resid 14 and name HD11))
(( segid "B " and resid 18 and name HB1 ))
3.300 1.300 1.300 peak 344 weight 0.10000E+01 volume 0.14811E-02 ppm1 0.963 ppm2 3.269 CV 1
OR { 344}
(( segid "B " and resid 13 and name HD21))
(( segid "B " and resid 18 and name HB1 ))
ASSI { 350}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HG2 ))
3.100 1.200 1.200 peak 350 weight 0.10000E+01 volume 0.16978E-02 ppm1 7.219 ppm2 1.669 CV 1
OR { 350}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 3 and name HB2 ))
OR { 350}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 12 and name HD2 ))
OR { 350}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 25 and name HD2 ))
ASSI { 352}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 11 and name HG2 ))
3.100 1.200 1.200 peak 352 weight 0.10000E+01 volume 0.14811E-02 ppm1 7.347 ppm2 1.681 CV 1
OR { 352}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 3 and name HB2 ))
OR { 352}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 11 and name HG2 ))
OR { 352}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 20 and name HG1 ))
ASSI { 355}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 7 and name HB1 ))
4.000 2.000 2.000 peak 355 weight 0.10000E+01 volume 0.90307E-03 ppm1 7.837 ppm2 3.163 CV 1
OR { 355}
(( segid "A " and resid 2 and name HN ))
(( segid "A " and resid 7 and name HB1 ))
ASSI { 360}
(( segid "B " and resid 18 and name HB1 ))
(( segid "B " and resid 19 and name HB2 ))
3.700 1.700 1.700 peak 360 weight 0.10000E+01 volume 0.93921E-03 ppm1 3.189 ppm2 2.827 CV 1
OR { 360}
(( segid "A " and resid 11 and name HE ))
(( segid "A " and resid 10 and name HB2 ))
OR { 360}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 10 and name HB2 ))
OR { 360}
(( segid "A " and resid 11 and name HD2 ))
(( segid "A " and resid 10 and name HB2 ))
ASSI { 364}
(( segid "B " and resid 17 and name HG21))
(( segid "B " and resid 18 and name HB2 ))
3.900 1.900 1.900 peak 364 weight 0.10000E+01 volume 0.13004E-02 ppm1 0.839 ppm2 3.149 CV 1
OR { 364}
(( segid "B " and resid 17 and name HD11))
(( segid "B " and resid 20 and name HD2 ))
OR { 364}
(( segid "B " and resid 14 and name HD21))
(( segid "B " and resid 18 and name HB2 ))
ASSI { 368}
(( segid "B " and resid 25 and name HG1 ))
(( segid "B " and resid 23 and name HB2 ))
3.700 1.700 1.700 peak 368 weight 0.10000E+01 volume 0.15894E-02 ppm1 1.380 ppm2 3.047 CV 1
OR { 368}
(( segid "A " and resid 8 and name HG2 ))
(( segid "A " and resid 6 and name HB2 ))
ASSI { 374}
(( segid "B " and resid 29 and name HB2 ))
(( segid "B " and resid 26 and name HB1 ))
3.500 1.500 1.500 peak 374 weight 0.10000E+01 volume 0.18423E-02 ppm1 2.064 ppm2 3.167 CV 1
OR { 374}
(( segid "A " and resid 4 and name HB ))
(( segid "A " and resid 7 and name HB1 ))
OR { 374}
(( segid "B " and resid 27 and name HB2 ))
(( segid "B " and resid 23 and name HB1 ))
OR { 374}
(( segid "B " and resid 27 and name HB2 ))
(( segid "B " and resid 26 and name HB1 ))
OR { 374}
(( segid "A " and resid 1 and name HE1 ))
(( segid "A " and resid 7 and name HB1 ))
ASSI { 379}
(( segid "A " and resid 8 and name HD2 ))
(( segid "A " and resid 4 and name HB ))
4.100 2.100 1.900 peak 379 weight 0.10000E+01 volume 0.12282E-02 ppm1 1.681 ppm2 2.087 CV 1
OR { 379}
(( segid "B " and resid 12 and name HD2 ))
(( segid "A " and resid 4 and name HB ))
OR { 379}
(( segid "A " and resid 3 and name HB2 ))
(( segid "A " and resid 4 and name HB ))
ASSI { 395}
(( segid "B " and resid 32 and name HB2 ))
(( segid "B " and resid 27 and name HG2 ))
4.400 2.500 1.600 peak 395 weight 0.10000E+01 volume 0.11921E-02 ppm1 1.839 ppm2 2.254 CV 1
OR { 395}
(( segid "B " and resid 21 and name HB1 ))
(( segid "B " and resid 22 and name HG1 ))
ASSI { 398}
(( segid "B " and resid 24 and name HB1 ))
(( segid "B " and resid 27 and name HB1 ))
3.900 1.900 1.900 peak 398 weight 0.10000E+01 volume 0.18784E-02 ppm1 1.413 ppm2 1.962 CV 1
OR { 398}
(( segid "B " and resid 24 and name HB1 ))
(( segid "B " and resid 20 and name HB2 ))
OR { 398}
(( segid "B " and resid 31 and name HB1 ))
(( segid "B " and resid 27 and name HB1 ))
ASSI { 409}
(( segid "B " and resid 34 and name HG1 ))
(( segid "B " and resid 31 and name HA ))
2.100 0.600 0.600 peak 409 weight 0.10000E+01 volume 0.14630E-01 ppm1 1.294 ppm2 4.219 CV 1
OR { 409}
(( segid "B " and resid 34 and name HG1 ))
(( segid "B " and resid 34 and name HA ))
ASSI { 413}
(( segid "B " and resid 24 and name HB1 ))
(( segid "B " and resid 24 and name HA ))
2.100 0.600 0.600 peak 413 weight 0.10000E+01 volume 0.13402E-01 ppm1 1.418 ppm2 4.251 CV 1
OR { 413}
(( segid "B " and resid 24 and name HB1 ))
(( segid "B " and resid 20 and name HA ))
OR { 413}
(( segid "B " and resid 21 and name HG2 ))
(( segid "B " and resid 21 and name HA ))
ASSI { 414}
(( segid "B " and resid 24 and name HB1 ))
(( segid "B " and resid 24 and name HA ))
2.200 0.600 0.600 peak 414 weight 0.10000E+01 volume 0.78749E-02 ppm1 1.419 ppm2 4.174 CV 1
OR { 414}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 16 and name HB ))
OR { 414}
(( segid "B " and resid 31 and name HB1 ))
(( segid "B " and resid 31 and name HA ))
OR { 414}
(( segid "B " and resid 31 and name HB1 ))
(( segid "B " and resid 27 and name HA ))
OR { 414}
(( segid "B " and resid 25 and name HG1 ))
(( segid "B " and resid 25 and name HA ))
ASSI { 415}
(( segid "B " and resid 24 and name HB1 ))
(( segid "B " and resid 24 and name HA ))
2.300 0.700 0.700 peak 415 weight 0.10000E+01 volume 0.67912E-02 ppm1 1.419 ppm2 4.210 CV 1
OR { 415}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 16 and name HB ))
OR { 415}
(( segid "B " and resid 31 and name HB1 ))
(( segid "B " and resid 31 and name HA ))
OR { 415}
(( segid "B " and resid 24 and name HB1 ))
(( segid "B " and resid 20 and name HA ))
OR { 415}
(( segid "B " and resid 21 and name HG2 ))
(( segid "B " and resid 21 and name HA ))
ASSI { 418}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HD2 ))
2.900 1.000 1.000 peak 418 weight 0.10000E+01 volume 0.17700E-02 ppm1 7.293 ppm2 3.183 CV 1
OR { 418}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 26 and name HB1 ))
OR { 418}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 18 and name HB2 ))
ASSI { 424}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 11 and name HB1 ))
3.700 1.700 1.700 peak 424 weight 0.10000E+01 volume 0.11198E-02 ppm1 7.335 ppm2 1.907 CV 1
OR { 424}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 11 and name HB1 ))
OR { 424}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 17 and name HB ))
OR { 424}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 20 and name HB2 ))
ASSI { 426}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HG2 ))
3.200 1.200 1.200 peak 426 weight 0.10000E+01 volume 0.15172E-02 ppm1 7.292 ppm2 1.593 CV 1
OR { 426}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 13 and name HB2 ))
OR { 426}
(( segid "B " and resid 32 and name HH21))
(( segid "B " and resid 32 and name HG2 ))
ASSI { 446}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 10 and name HB1 ))
4.000 2.000 2.000 peak 446 weight 0.10000E+01 volume 0.97533E-03 ppm1 8.014 ppm2 2.766 CV 1
OR { 446}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 10 and name HB1 ))
OR { 446}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 19 and name HB2 ))
ASSI { 447}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 6 and name HB2 ))
3.600 1.600 1.600 peak 447 weight 0.10000E+01 volume 0.11198E-02 ppm1 7.994 ppm2 3.048 CV 1
OR { 447}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 23 and name HB2 ))
ASSI { 451}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 9 and name HD2 ))
3.700 1.700 1.700 peak 451 weight 0.10000E+01 volume 0.10476E-02 ppm1 8.019 ppm2 3.227 CV 1
OR { 451}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 23 and name HB1 ))
OR { 451}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 9 and name HD2 ))
ASSI { 452}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 32 and name HD2 ))
3.400 1.400 1.400 peak 452 weight 0.10000E+01 volume 0.19868E-02 ppm1 7.938 ppm2 3.158 CV 1
OR { 452}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 32 and name HD2 ))
OR { 452}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 18 and name HB2 ))
OR { 452}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 9 and name HD2 ))
OR { 452}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 7 and name HB1 ))
ASSI { 453}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 9 and name HD2 ))
3.800 1.800 1.800 peak 453 weight 0.10000E+01 volume 0.90307E-03 ppm1 7.960 ppm2 3.230 CV 1
OR { 453}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 23 and name HB1 ))
OR { 453}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 9 and name HD2 ))
OR { 453}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 9 and name HD2 ))
ASSI { 461}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 17 and name HD11))
3.100 3.100 2.900 peak 461 weight 0.10000E+01 volume 0.90307E-03 ppm1 8.511 ppm2 0.891 CV 1
OR { 461}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 15 and name HD11))
ASSI { 466}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 17 and name HN ))
3.300 1.300 1.300 peak 466 weight 0.10000E+01 volume 0.18062E-02 ppm1 8.275 ppm2 8.123 CV 1
OR { 466}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 23 and name HN ))
OR { 466}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 17 and name HN ))
ASSI { 469}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 3 and name HN ))
3.900 1.900 1.900 peak 469 weight 0.10000E+01 volume 0.93921E-03 ppm1 7.904 ppm2 7.687 CV 1
OR { 469}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 35 and name HE3 ))
ASSI { 472}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 18 and name HB2 ))
3.600 1.600 1.600 peak 472 weight 0.10000E+01 volume 0.17700E-02 ppm1 8.247 ppm2 3.157 CV 1
OR { 472}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 7 and name HB1 ))
OR { 472}
(( segid "B " and resid 16 and name HN ))
(( segid "A " and resid 7 and name HB1 ))
OR { 472}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 26 and name HB1 ))
OR { 472}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 18 and name HB2 ))
OR { 472}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 7 and name HB1 ))
ASSI { 481}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 24 and name HB1 ))
3.500 1.500 1.500 peak 481 weight 0.10000E+01 volume 0.14088E-02 ppm1 8.255 ppm2 1.411 CV 1
OR { 481}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 21 and name HG2 ))
OR { 481}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 12 and name HG2 ))
OR { 481}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 24 and name HB1 ))
OR { 481}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 24 and name HB1 ))
ASSI { 482}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HG2 ))
4.000 2.000 2.000 peak 482 weight 0.10000E+01 volume 0.11559E-02 ppm1 8.253 ppm2 1.608 CV 1
OR { 482}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 14 and name HG ))
OR { 482}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 30 and name HG2 ))
OR { 482}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 14 and name HB2 ))
ASSI { 483}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 20 and name HG1 ))
3.000 1.200 1.200 peak 483 weight 0.10000E+01 volume 0.13727E-02 ppm1 8.262 ppm2 1.679 CV 1
OR { 483}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HG2 ))
OR { 483}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 21 and name HD1 ))
OR { 483}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 20 and name HG1 ))
ASSI { 484}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HG2 ))
3.600 1.600 1.600 peak 484 weight 0.10000E+01 volume 0.17700E-02 ppm1 8.238 ppm2 1.681 CV 1
OR { 484}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 21 and name HD1 ))
OR { 484}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 8 and name HD2 ))
OR { 484}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 20 and name HG1 ))
OR { 484}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 3 and name HB2 ))
OR { 484}
(( segid "B " and resid 16 and name HN ))
(( segid "A " and resid 8 and name HD2 ))
ASSI { 485}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 17 and name HG21))
3.600 1.600 1.600 peak 485 weight 0.10000E+01 volume 0.16255E-02 ppm1 8.257 ppm2 0.838 CV 1
OR { 485}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 15 and name HD11))
OR { 485}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 15 and name HD11))
ASSI { 486}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HB1 ))
3.100 1.200 1.200 peak 486 weight 0.10000E+01 volume 0.41542E-02 ppm1 8.262 ppm2 1.904 CV 1
OR { 486}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 20 and name HB2 ))
OR { 486}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 1 and name HB2 ))
ASSI { 487}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 18 and name HB1 ))
3.600 1.600 1.600 peak 487 weight 0.10000E+01 volume 0.10837E-02 ppm1 8.234 ppm2 3.190 CV 1
OR { 487}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HE ))
OR { 487}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 23 and name HB1 ))
OR { 487}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 18 and name HB2 ))
OR { 487}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 26 and name HB1 ))
OR { 487}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HD2 ))
OR { 487}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 26 and name HB1 ))
ASSI { 488}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 18 and name HB1 ))
3.400 1.400 1.400 peak 488 weight 0.10000E+01 volume 0.15172E-02 ppm1 8.262 ppm2 3.196 CV 1
OR { 488}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HE ))
OR { 488}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 20 and name HD2 ))
OR { 488}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 18 and name HB2 ))
OR { 488}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HD2 ))
OR { 488}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 26 and name HB1 ))
ASSI { 493}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 9 and name HD2 ))
3.400 1.400 1.400 peak 493 weight 0.10000E+01 volume 0.14449E-02 ppm1 8.126 ppm2 3.193 CV 1
OR { 493}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 9 and name HD1 ))
OR { 493}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 23 and name HB1 ))
OR { 493}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 18 and name HB1 ))
ASSI { 494}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 7 and name HB2 ))
4.100 2.100 1.900 peak 494 weight 0.10000E+01 volume 0.10114E-02 ppm1 8.139 ppm2 2.965 CV 1
OR { 494}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 8 and name HE2 ))
ASSI { 496}
(( segid "A " and resid 9 and name HN ))
( segid "A " and resid 4 and name HG2%)
3.900 1.900 1.900 peak 496 weight 0.10000E+01 volume 0.11559E-02 ppm1 8.130 ppm2 0.926 CV 1
OR { 496}
(( segid "A " and resid 9 and name HN ))
(( segid "B " and resid 15 and name HG21))
OR { 496}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 13 and name HD11))
OR { 496}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 13 and name HD21))
ASSI { 517}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 29 and name HB2 ))
3.200 1.300 1.300 peak 517 weight 0.10000E+01 volume 0.10837E-02 ppm1 8.025 ppm2 2.012 CV 1
OR { 517}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 27 and name HB2 ))
OR { 517}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 27 and name HB2 ))
ASSI { 519}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 29 and name HB2 ))
3.100 1.200 1.200 peak 519 weight 0.10000E+01 volume 0.93921E-03 ppm1 8.024 ppm2 2.078 CV 1
OR { 519}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 29 and name HB2 ))
ASSI { 521}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 22 and name HB2 ))
4.600 2.600 1.400 peak 521 weight 0.10000E+01 volume 0.75858E-03 ppm1 7.981 ppm2 1.962 CV 1
OR { 521}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 20 and name HB2 ))
OR { 521}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 27 and name HB1 ))
ASSI { 3}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 7 and name HA ))
3.200 1.300 1.300 peak 3 weight 0.10000E+01 volume 0.41236E-02 ppm1 7.362 ppm2 4.550 CV 1
OR { 3}
( segid "B " and resid 23 and name HE% )
(( segid "B " and resid 23 and name HA ))
ASSI { 16}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 22 and name HA ))
2.800 2.800 3.200 peak 16 weight 0.10000E+01 volume 0.38234E-02 ppm1 7.242 ppm2 4.228 CV 1
OR { 16}
(( segid "A " and resid 2 and name HD1 ))
(( segid "A " and resid 1 and name HA ))
ASSI { 30}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 2 and name HB2 ))
2.400 0.700 0.700 peak 30 weight 0.10000E+01 volume 0.11610E-02 ppm1 7.668 ppm2 3.300 CV 1
OR { 30}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 35 and name HB2 ))
ASSI { 49}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 7 and name HB1 ))
3.300 1.400 1.400 peak 49 weight 0.10000E+01 volume 0.40234E-02 ppm1 7.361 ppm2 3.112 CV 1
OR { 49}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 26 and name HB2 ))
ASSI { 61}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 25 and name HB2 ))
3.200 3.200 2.800 peak 61 weight 0.10000E+01 volume 0.18016E-02 ppm1 7.358 ppm2 1.819 CV 1
OR { 61}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 17 and name HB ))
ASSI { 73}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 20 and name HD2 ))
2.700 2.700 3.300 peak 73 weight 0.10000E+01 volume 0.29826E-02 ppm1 7.356 ppm2 3.201 CV 1
OR { 73}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 26 and name HB1 ))
ASSI { 114}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 14 and name HD11))
3.000 1.200 1.200 peak 114 weight 0.10000E+01 volume 0.23421E-02 ppm1 7.315 ppm2 0.868 CV 1
OR { 114}
(( segid "B " and resid 18 and name HD2 ))
(( segid "B " and resid 14 and name HD11))
OR { 114}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 14 and name HD12))
OR { 114}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HD13))
OR { 114}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HD13))
OR { 114}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HD12))
OR { 114}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HD12))
OR { 114}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HD11))
ASSI { 123}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 23 and name HB2 ))
2.900 1.000 1.000 peak 123 weight 0.10000E+01 volume 0.24020E-02 ppm1 7.262 ppm2 3.081 CV 1
OR { 123}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 26 and name HB2 ))
ASSI { 155}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 8 and name HG2 ))
3.900 1.900 1.900 peak 155 weight 0.10000E+01 volume 0.18016E-02 ppm1 7.251 ppm2 1.357 CV 1
OR { 155}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 33 and name HB1 ))
OR { 155}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 33 and name HB3 ))
ASSI { 156}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 7 and name HB1 ))
2.100 0.600 0.600 peak 156 weight 0.10000E+01 volume 0.96084E-02 ppm1 7.242 ppm2 3.118 CV 1
OR { 156}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 26 and name HB2 ))
ASSI { 195}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 28 and name HB2 ))
3.400 1.400 1.400 peak 195 weight 0.10000E+01 volume 0.14213E-02 ppm1 4.555 ppm2 2.078 CV 1
OR { 195}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 4 and name HB ))
ASSI { 240}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 8 and name HE2 ))
3.800 1.800 1.800 peak 240 weight 0.10000E+01 volume 0.17015E-02 ppm1 4.276 ppm2 2.966 CV 1
OR { 240}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
ASSI { 241}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 8 and name HE2 ))
3.900 1.900 1.900 peak 241 weight 0.10000E+01 volume 0.14213E-02 ppm1 4.279 ppm2 2.939 CV 1
OR { 241}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
ASSI { 244}
(( segid "B " and resid 21 and name HA ))
(( segid "B " and resid 22 and name HB1 ))
3.500 3.500 2.500 peak 244 weight 0.10000E+01 volume 0.28424E-02 ppm1 4.257 ppm2 1.996 CV 1
OR { 244}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 22 and name HB1 ))
ASSI { 291}
(( segid "B " and resid 30 and name HA ))
(( segid "B " and resid 30 and name HG1 ))
2.400 0.700 0.700 peak 291 weight 0.10000E+01 volume 0.16715E-01 ppm1 4.182 ppm2 1.545 CV 1
OR { 291}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 3 and name HD1 ))
ASSI { 343}
(( segid "A " and resid 11 and name HE ))
(( segid "A " and resid 11 and name HB2 ))
2.700 0.900 0.900 peak 343 weight 0.10000E+01 volume 0.76067E-02 ppm1 3.204 ppm2 1.911 CV 1
OR { 343}
(( segid "B " and resid 20 and name HD2 ))
(( segid "B " and resid 20 and name HB2 ))
ASSI { 352}
(( segid "A " and resid 7 and name HA ))
(( segid "B " and resid 15 and name HG21))
4.100 2.100 1.900 peak 352 weight 0.10000E+01 volume 0.11810E-02 ppm1 4.555 ppm2 0.875 CV 1
OR { 352}
(( segid "A " and resid 7 and name HA ))
(( segid "B " and resid 15 and name HG22))
OR { 352}
(( segid "A " and resid 7 and name HA ))
(( segid "B " and resid 17 and name HG21))
OR { 352}
(( segid "A " and resid 7 and name HA ))
(( segid "B " and resid 17 and name HG23))
OR { 352}
(( segid "A " and resid 7 and name HA ))
(( segid "B " and resid 17 and name HG22))
ASSI { 368}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 17 and name HG21))
4.300 2.300 1.700 peak 368 weight 0.10000E+01 volume 0.11410E-02 ppm1 4.032 ppm2 0.876 CV 1
OR { 368}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 15 and name HG22))
OR { 368}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 15 and name HG21))
OR { 368}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 17 and name HG22))
OR { 368}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 17 and name HG23))
ASSI { 369}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 17 and name HG21))
4.200 2.200 1.800 peak 369 weight 0.10000E+01 volume 0.12411E-02 ppm1 4.035 ppm2 0.846 CV 1
OR { 369}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 15 and name HD13))
OR { 369}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 17 and name HG22))
OR { 369}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 17 and name HG23))
ASSI { 396}
(( segid "A " and resid 7 and name HB2 ))
( segid "A " and resid 4 and name HG2%)
3.800 1.800 1.800 peak 396 weight 0.10000E+01 volume 0.16014E-02 ppm1 3.004 ppm2 0.917 CV 1
OR { 396}
(( segid "A " and resid 7 and name HB2 ))
(( segid "B " and resid 17 and name HG21))
ASSI { 429}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 3 and name HA ))
3.900 1.900 1.900 peak 429 weight 0.10000E+01 volume 0.14813E-02 ppm1 4.509 ppm2 4.178 CV 1
OR { 429}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 8 and name HA ))
ASSI { 442}
(( segid "B " and resid 35 and name HZ2 ))
(( segid "B " and resid 32 and name HA ))
3.700 1.700 1.700 peak 442 weight 0.10000E+01 volume 0.90079E-03 ppm1 7.516 ppm2 4.183 CV 1
OR { 442}
(( segid "B " and resid 35 and name HZ2 ))
(( segid "B " and resid 31 and name HA ))
ASSI { 447}
(( segid "A " and resid 2 and name HE3 ))
(( segid "A " and resid 3 and name HG2 ))
3.300 1.400 1.400 peak 447 weight 0.10000E+01 volume 0.90079E-03 ppm1 7.588 ppm2 1.077 CV 1
OR { 447}
(( segid "A " and resid 2 and name HE3 ))
(( segid "B " and resid 16 and name HG23))
OR { 447}
(( segid "A " and resid 2 and name HE3 ))
(( segid "B " and resid 16 and name HG21))
ASSI { 464}
( segid "A " and resid 7 and name HE% )
( segid "B " and resid 17 and name HG1%)
4.000 2.000 2.000 peak 464 weight 0.10000E+01 volume 0.90079E-03 ppm1 7.361 ppm2 1.145 CV 1
OR { 464}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 16 and name HG21))
OR { 464}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 16 and name HG22))
OR { 464}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 16 and name HG23))
ASSI { 500}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 34 and name HD2 ))
2.600 2.600 3.400 peak 500 weight 0.10000E+01 volume 0.54048E-03 ppm1 7.667 ppm2 1.644 CV 1
OR { 500}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 32 and name HG2 ))
ASSI { 519}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 28 and name HG2 ))
4.400 2.400 1.600 peak 519 weight 0.10000E+01 volume 0.56050E-03 ppm1 4.567 ppm2 2.362 CV 1
OR { 519}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 27 and name HG1 ))
ASSI { 568}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 19 and name HB2 ))
4.400 2.400 1.600 peak 568 weight 0.10000E+01 volume 0.72063E-03 ppm1 4.246 ppm2 2.745 CV 1
OR { 568}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 10 and name HB1 ))
ASSI { 14}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HA ))
2.700 0.900 0.900 peak 14 weight 0.10000E+01 volume 0.44238E-02 ppm1 7.263 ppm2 4.241 CV 1
OR { 14}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 22 and name HA ))
OR { 14}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 31 and name HA ))
OR { 14}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 8 and name HA ))
ASSI { 18}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 7 and name HA ))
2.200 0.600 0.600 peak 18 weight 0.10000E+01 volume 0.11891E-01 ppm1 7.243 ppm2 4.549 CV 1
OR { 18}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 19 and name HA ))
OR { 18}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 23 and name HA ))
ASSI { 20}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 14 and name HA ))
3.600 1.700 1.700 peak 20 weight 0.10000E+01 volume 0.10009E-02 ppm1 7.243 ppm2 4.486 CV 1
OR { 20}
(( segid "B " and resid 32 and name HH21))
(( segid "B " and resid 36 and name HA ))
OR { 20}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 13 and name HA ))
OR { 20}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 6 and name HA ))
ASSI { 80}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 3 and name HE1 ))
3.900 1.900 1.900 peak 80 weight 0.10000E+01 volume 0.10209E-02 ppm1 7.330 ppm2 2.893 CV 1
OR { 80}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 10 and name HB2 ))
OR { 80}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 10 and name HB2 ))
ASSI { 85}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 23 and name HB1 ))
2.700 0.900 0.900 peak 85 weight 0.10000E+01 volume 0.28024E-02 ppm1 7.321 ppm2 3.192 CV 1
OR { 85}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 11 and name HE ))
OR { 85}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 18 and name HB1 ))
OR { 85}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 20 and name HD2 ))
OR { 85}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 11 and name HE ))
OR { 85}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 18 and name HB2 ))
OR { 85}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 26 and name HB1 ))
ASSI { 86}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 18 and name HB2 ))
3.700 1.700 1.700 peak 86 weight 0.10000E+01 volume 0.18016E-02 ppm1 7.323 ppm2 3.128 CV 1
OR { 86}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 7 and name HB1 ))
OR { 86}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 26 and name HB1 ))
OR { 86}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 26 and name HB2 ))
ASSI { 91}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 4 and name HB ))
3.300 3.300 2.700 peak 91 weight 0.10000E+01 volume 0.13412E-02 ppm1 7.325 ppm2 2.076 CV 1
OR { 91}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 29 and name HB2 ))
OR { 91}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 28 and name HB2 ))
OR { 91}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 4 and name HB ))
ASSI { 92}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 27 and name HB2 ))
3.000 3.000 3.000 peak 92 weight 0.10000E+01 volume 0.31228E-02 ppm1 7.324 ppm2 2.049 CV 1
OR { 92}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 4 and name HB ))
OR { 92}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 29 and name HB2 ))
OR { 92}
( segid "B " and resid 23 and name HE% )
(( segid "B " and resid 27 and name HB2 ))
OR { 92}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 27 and name HB2 ))
ASSI { 93}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 22 and name HB1 ))
3.600 1.600 1.600 peak 93 weight 0.10000E+01 volume 0.10209E-02 ppm1 7.324 ppm2 1.982 CV 1
OR { 93}
( segid "B " and resid 23 and name HE% )
(( segid "B " and resid 22 and name HB1 ))
OR { 93}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 27 and name HB2 ))
OR { 93}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 27 and name HB1 ))
ASSI { 94}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 11 and name HB2 ))
3.200 1.300 1.300 peak 94 weight 0.10000E+01 volume 0.23821E-02 ppm1 7.326 ppm2 1.917 CV 1
OR { 94}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 11 and name HB2 ))
OR { 94}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 17 and name HB ))
OR { 94}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 20 and name HB2 ))
ASSI { 95}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 3 and name HB2 ))
3.100 1.200 1.200 peak 95 weight 0.10000E+01 volume 0.18016E-02 ppm1 7.324 ppm2 1.742 CV 1
OR { 95}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 25 and name HB2 ))
OR { 95}
(( segid "B " and resid 32 and name HH21))
(( segid "B " and resid 32 and name HB2 ))
ASSI { 97}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 20 and name HG2 ))
2.800 1.000 1.000 peak 97 weight 0.10000E+01 volume 0.28024E-02 ppm1 7.324 ppm2 1.638 CV 1
OR { 97}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 11 and name HG1 ))
OR { 97}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 11 and name HG1 ))
OR { 97}
(( segid "B " and resid 32 and name HH21))
(( segid "B " and resid 32 and name HG2 ))
ASSI { 99}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 3 and name HD1 ))
3.500 1.500 1.500 peak 99 weight 0.10000E+01 volume 0.14613E-02 ppm1 7.322 ppm2 1.542 CV 1
OR { 99}
(( segid "B " and resid 32 and name HH21))
(( segid "B " and resid 33 and name HB1 ))
OR { 99}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 3 and name HD1 ))
ASSI { 105}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 17 and name HD11))
3.300 3.300 2.700 peak 105 weight 0.10000E+01 volume 0.22820E-02 ppm1 7.322 ppm2 0.885 CV 1
OR { 105}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 17 and name HG21))
OR { 105}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HD11))
ASSI { 111}
( segid "B " and resid 23 and name HE% )
(( segid "B " and resid 25 and name HD1 ))
3.500 1.500 1.500 peak 111 weight 0.10000E+01 volume 0.11810E-02 ppm1 7.319 ppm2 1.576 CV 1
OR { 111}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 3 and name HD1 ))
OR { 111}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 3 and name HD1 ))
ASSI { 120}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 11 and name HB2 ))
4.400 2.400 1.600 peak 120 weight 0.10000E+01 volume 0.56050E-03 ppm1 7.295 ppm2 1.866 CV 1
OR { 120}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 12 and name HB2 ))
OR { 120}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HB1 ))
OR { 120}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 11 and name HB1 ))
OR { 120}
(( segid "B " and resid 32 and name HH21))
(( segid "B " and resid 32 and name HB1 ))
ASSI { 122}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HD2 ))
2.400 0.700 0.700 peak 122 weight 0.10000E+01 volume 0.51045E-02 ppm1 7.261 ppm2 3.190 CV 1
OR { 122}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 26 and name HB1 ))
OR { 122}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 23 and name HB1 ))
OR { 122}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 18 and name HB1 ))
OR { 122}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 11 and name HE ))
OR { 122}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 18 and name HB2 ))
ASSI { 128}
(( segid "B " and resid 20 and name HH21))
(( segid "B " and resid 20 and name HB2 ))
3.200 1.300 1.300 peak 128 weight 0.10000E+01 volume 0.14213E-02 ppm1 7.265 ppm2 1.966 CV 1
OR { 128}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 22 and name HB1 ))
OR { 128}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 27 and name HB1 ))
ASSI { 144}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 11 and name HB2 ))
3.000 1.100 1.100 peak 144 weight 0.10000E+01 volume 0.30027E-02 ppm1 7.263 ppm2 1.888 CV 1
OR { 144}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 11 and name HB1 ))
OR { 144}
( segid "A " and resid 7 and name HD% )
(( segid "B " and resid 17 and name HB ))
OR { 144}
(( segid "B " and resid 20 and name HH21))
(( segid "B " and resid 20 and name HB2 ))
OR { 144}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 12 and name HB2 ))
OR { 144}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HB1 ))
OR { 144}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 11 and name HB1 ))
ASSI { 154}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 22 and name HB1 ))
3.300 1.400 1.400 peak 154 weight 0.10000E+01 volume 0.10810E-02 ppm1 7.257 ppm2 1.990 CV 1
OR { 154}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 27 and name HB2 ))
OR { 154}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 27 and name HB1 ))
ASSI { 159}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 11 and name HB1 ))
3.300 1.400 1.400 peak 159 weight 0.10000E+01 volume 0.17015E-02 ppm1 7.242 ppm2 1.815 CV 1
OR { 159}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 25 and name HB2 ))
OR { 159}
(( segid "B " and resid 30 and name HH21))
(( segid "B " and resid 30 and name HB2 ))
OR { 159}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HB1 ))
OR { 159}
(( segid "B " and resid 32 and name HH21))
(( segid "B " and resid 32 and name HB1 ))
OR { 159}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HB2 ))
OR { 159}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 25 and name HB2 ))
ASSI { 183}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "B " and resid 12 and name HB2 ))
3.700 1.700 1.700 peak 183 weight 0.10000E+01 volume 0.98087E-03 ppm1 7.107 ppm2 1.917 CV 1
OR { 183}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "A " and resid 1 and name HB2 ))
ASSI { 199}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 24 and name HB1 ))
3.300 1.400 1.400 peak 199 weight 0.10000E+01 volume 0.15414E-02 ppm1 4.554 ppm2 1.388 CV 1
OR { 199}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 25 and name HG1 ))
OR { 199}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 8 and name HG2 ))
OR { 199}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 25 and name HG1 ))
ASSI { 200}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 26 and name HB1 ))
1.900 0.500 0.500 peak 200 weight 0.10000E+01 volume 0.27985E-01 ppm1 4.549 ppm2 3.119 CV 1
OR { 200}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 26 and name HB2 ))
OR { 200}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 23 and name HB2 ))
OR { 200}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 9 and name HD2 ))
ASSI { 201}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
2.300 0.700 0.700 peak 201 weight 0.10000E+01 volume 0.10329E-01 ppm1 4.549 ppm2 2.964 CV 1
OR { 201}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HB2 ))
ASSI { 221}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 12 and name HB2 ))
3.700 1.700 1.700 peak 221 weight 0.10000E+01 volume 0.11410E-02 ppm1 4.443 ppm2 1.918 CV 1
OR { 221}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 17 and name HB ))
OR { 221}
(( segid "B " and resid 16 and name HA ))
(( segid "A " and resid 11 and name HB2 ))
OR { 221}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 12 and name HB2 ))
ASSI { 222}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 13 and name HG ))
2.300 0.700 0.700 peak 222 weight 0.10000E+01 volume 0.44238E-02 ppm1 4.439 ppm2 1.617 CV 1
OR { 222}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 14 and name HB2 ))
OR { 222}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 13 and name HB2 ))
ASSI { 225}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 13 and name HB2 ))
3.000 1.100 1.100 peak 225 weight 0.10000E+01 volume 0.14413E-02 ppm1 4.402 ppm2 1.640 CV 1
OR { 225}
(( segid "B " and resid 16 and name HA ))
(( segid "A " and resid 8 and name HD2 ))
ASSI { 233}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 8 and name HE2 ))
3.500 1.500 1.500 peak 233 weight 0.10000E+01 volume 0.24622E-02 ppm1 4.284 ppm2 2.997 CV 1
OR { 233}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
OR { 233}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
ASSI { 238}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 11 and name HG1 ))
2.400 0.700 0.700 peak 238 weight 0.10000E+01 volume 0.14873E-01 ppm1 4.285 ppm2 1.634 CV 1
OR { 238}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 9 and name HG2 ))
OR { 238}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 20 and name HG2 ))
ASSI { 247}
(( segid "B " and resid 34 and name HA ))
(( segid "B " and resid 36 and name HB2 ))
2.900 2.900 3.100 peak 247 weight 0.10000E+01 volume 0.56851E-02 ppm1 4.243 ppm2 2.464 CV 1
OR { 247}
(( segid "B " and resid 32 and name HA ))
(( segid "B " and resid 36 and name HB2 ))
ASSI { 257}
(( segid "A " and resid 8 and name HA ))
( segid "B " and resid 15 and name HG1%)
3.200 1.300 1.300 peak 257 weight 0.10000E+01 volume 0.11010E-02 ppm1 4.243 ppm2 1.143 CV 1
OR { 257}
(( segid "A " and resid 9 and name HA ))
( segid "B " and resid 15 and name HG1%)
OR { 257}
(( segid "A " and resid 8 and name HA ))
(( segid "B " and resid 16 and name HG21))
ASSI { 259}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 30 and name HD2 ))
3.800 1.800 1.800 peak 259 weight 0.10000E+01 volume 0.10810E-02 ppm1 4.233 ppm2 3.057 CV 1
OR { 259}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 26 and name HB2 ))
OR { 259}
(( segid "B " and resid 24 and name HA ))
(( segid "B " and resid 23 and name HB2 ))
OR { 259}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 23 and name HB2 ))
ASSI { 262}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 9 and name HB1 ))
2.000 0.500 0.500 peak 262 weight 0.10000E+01 volume 0.16514E-01 ppm1 4.233 ppm2 1.796 CV 1
OR { 262}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 8 and name HB1 ))
OR { 262}
(( segid "B " and resid 32 and name HA ))
(( segid "B " and resid 32 and name HB2 ))
OR { 262}
(( segid "B " and resid 21 and name HA ))
(( segid "B " and resid 21 and name HB1 ))
OR { 262}
(( segid "B " and resid 32 and name HA ))
(( segid "B " and resid 32 and name HB1 ))
ASSI { 268}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 7 and name HB1 ))
3.400 1.400 1.400 peak 268 weight 0.10000E+01 volume 0.23220E-02 ppm1 4.227 ppm2 3.113 CV 1
OR { 268}
(( segid "B " and resid 16 and name HB ))
(( segid "A " and resid 7 and name HB1 ))
OR { 268}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 30 and name HD2 ))
OR { 268}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 26 and name HB2 ))
OR { 268}
(( segid "B " and resid 30 and name HA ))
(( segid "B " and resid 30 and name HD2 ))
OR { 268}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 23 and name HB2 ))
OR { 268}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 7 and name HB1 ))
ASSI { 269}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 7 and name HB1 ))
3.800 1.800 1.800 peak 269 weight 0.10000E+01 volume 0.10810E-02 ppm1 4.227 ppm2 3.086 CV 1
OR { 269}
(( segid "B " and resid 16 and name HB ))
(( segid "A " and resid 7 and name HB1 ))
OR { 269}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 30 and name HD2 ))
OR { 269}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 26 and name HB2 ))
OR { 269}
(( segid "B " and resid 30 and name HA ))
(( segid "B " and resid 30 and name HD2 ))
OR { 269}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 23 and name HB2 ))
ASSI { 270}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
2.800 1.000 1.000 peak 270 weight 0.10000E+01 volume 0.63256E-02 ppm1 4.228 ppm2 2.996 CV 1
OR { 270}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 6 and name HB2 ))
OR { 270}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
OR { 270}
(( segid "B " and resid 16 and name HB ))
(( segid "A " and resid 7 and name HB2 ))
OR { 270}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 8 and name HE2 ))
ASSI { 271}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 3 and name HB2 ))
1.800 0.400 0.400 peak 271 weight 0.10000E+01 volume 0.36793E-01 ppm1 4.226 ppm2 1.693 CV 1
OR { 271}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 9 and name HB2 ))
OR { 271}
(( segid "B " and resid 34 and name HA ))
(( segid "B " and resid 34 and name HB2 ))
ASSI { 273}
(( segid "B " and resid 16 and name HB ))
(( segid "B " and resid 16 and name HG21))
3.300 1.300 1.300 peak 273 weight 0.10000E+01 volume 0.11010E-02 ppm1 4.224 ppm2 1.158 CV 1
OR { 273}
(( segid "A " and resid 8 and name HA ))
( segid "B " and resid 15 and name HG1%)
OR { 273}
(( segid "B " and resid 15 and name HA ))
( segid "B " and resid 15 and name HG1%)
ASSI { 275}
(( segid "B " and resid 16 and name HB ))
(( segid "A " and resid 3 and name HE1 ))
4.200 2.200 1.800 peak 275 weight 0.10000E+01 volume 0.10409E-02 ppm1 4.216 ppm2 2.890 CV 1
OR { 275}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 3 and name HE1 ))
OR { 275}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 10 and name HB2 ))
ASSI { 276}
(( segid "B " and resid 30 and name HA ))
(( segid "B " and resid 30 and name HG1 ))
2.900 1.100 1.100 peak 276 weight 0.10000E+01 volume 0.27025E-02 ppm1 4.221 ppm2 1.564 CV 1
OR { 276}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 9 and name HG2 ))
OR { 276}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 3 and name HD1 ))
OR { 276}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 30 and name HG1 ))
ASSI { 285}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 22 and name HB1 ))
3.200 1.300 1.300 peak 285 weight 0.10000E+01 volume 0.16014E-02 ppm1 4.192 ppm2 1.973 CV 1
OR { 285}
(( segid "B " and resid 24 and name HA ))
(( segid "B " and resid 27 and name HB1 ))
ASSI { 287}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
2.700 0.900 0.900 peak 287 weight 0.10000E+01 volume 0.76668E-02 ppm1 4.182 ppm2 2.993 CV 1
OR { 287}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 6 and name HB2 ))
OR { 287}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
OR { 287}
(( segid "B " and resid 16 and name HB ))
(( segid "A " and resid 7 and name HB2 ))
ASSI { 290}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 3 and name HB2 ))
2.100 0.600 0.600 peak 290 weight 0.10000E+01 volume 0.19097E-01 ppm1 4.182 ppm2 1.699 CV 1
OR { 290}
(( segid "B " and resid 34 and name HA ))
(( segid "B " and resid 34 and name HB2 ))
OR { 290}
(( segid "B " and resid 21 and name HA ))
(( segid "B " and resid 21 and name HD1 ))
ASSI { 294}
(( segid "B " and resid 24 and name HA ))
(( segid "B " and resid 27 and name HB1 ))
3.200 1.300 1.300 peak 294 weight 0.10000E+01 volume 0.16214E-02 ppm1 4.162 ppm2 1.971 CV 1
OR { 294}
(( segid "B " and resid 27 and name HA ))
(( segid "B " and resid 27 and name HB1 ))
ASSI { 295}
(( segid "B " and resid 28 and name HA ))
(( segid "B " and resid 28 and name HB2 ))
3.600 1.600 1.600 peak 295 weight 0.10000E+01 volume 0.12211E-02 ppm1 4.155 ppm2 2.105 CV 1
OR { 295}
(( segid "B " and resid 29 and name HA ))
(( segid "B " and resid 29 and name HB2 ))
OR { 295}
(( segid "B " and resid 16 and name HB ))
(( segid "A " and resid 4 and name HB ))
ASSI { 311}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 8 and name HB1 ))
3.700 1.700 1.700 peak 311 weight 0.10000E+01 volume 0.11010E-02 ppm1 4.027 ppm2 1.782 CV 1
OR { 311}
(( segid "B " and resid 12 and name HA ))
(( segid "A " and resid 8 and name HB1 ))
OR { 311}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 15 and name HB ))
ASSI { 336}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 3 and name HB2 ))
4.100 2.100 1.900 peak 336 weight 0.10000E+01 volume 0.14012E-02 ppm1 3.303 ppm2 1.686 CV 1
OR { 336}
(( segid "B " and resid 35 and name HB2 ))
(( segid "B " and resid 32 and name HG2 ))
ASSI { 347}
(( segid "A " and resid 3 and name HE1 ))
(( segid "B " and resid 17 and name HB ))
2.900 1.100 1.100 peak 347 weight 0.10000E+01 volume 0.37232E-02 ppm1 2.881 ppm2 1.917 CV 1
OR { 347}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 11 and name HB2 ))
ASSI { 358}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 13 and name HD11))
3.500 1.500 1.500 peak 358 weight 0.10000E+01 volume 0.19017E-02 ppm1 4.431 ppm2 0.890 CV 1
OR { 358}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 15 and name HG21))
OR { 358}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 15 and name HD11))
OR { 358}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 14 and name HD21))
ASSI { 359}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 17 and name HG21))
2.800 1.000 1.000 peak 359 weight 0.10000E+01 volume 0.10609E-02 ppm1 4.414 ppm2 0.840 CV 1
OR { 359}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 14 and name HD21))
OR { 359}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 17 and name HG21))
ASSI { 362}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 15 and name HG21))
3.700 1.700 1.700 peak 362 weight 0.10000E+01 volume 0.12211E-02 ppm1 4.374 ppm2 0.862 CV 1
OR { 362}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 15 and name HD11))
OR { 362}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 17 and name HG21))
ASSI { 363}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 15 and name HD11))
3.500 1.500 1.500 peak 363 weight 0.10000E+01 volume 0.13412E-02 ppm1 4.371 ppm2 0.839 CV 1
OR { 363}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 17 and name HG21))
ASSI { 366}
(( segid "A " and resid 4 and name HA ))
( segid "A " and resid 4 and name HG2%)
1.800 1.800 4.200 peak 366 weight 0.10000E+01 volume 0.45160E-01 ppm1 4.028 ppm2 0.946 CV 1
OR { 366}
(( segid "A " and resid 4 and name HA ))
( segid "A " and resid 4 and name HG1%)
OR { 366}
(( segid "B " and resid 12 and name HA ))
( segid "A " and resid 4 and name HG1%)
ASSI { 380}
(( segid "B " and resid 18 and name HB1 ))
(( segid "B " and resid 14 and name HD11))
3.300 1.400 1.400 peak 380 weight 0.10000E+01 volume 0.14813E-02 ppm1 3.206 ppm2 0.911 CV 1
OR { 380}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 14 and name HD11))
OR { 380}
(( segid "B " and resid 18 and name HB1 ))
(( segid "B " and resid 15 and name HD11))
ASSI { 382}
(( segid "B " and resid 18 and name HB1 ))
(( segid "B " and resid 14 and name HD11))
3.300 1.300 1.300 peak 382 weight 0.10000E+01 volume 0.10609E-02 ppm1 3.200 ppm2 0.980 CV 1
OR { 382}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 13 and name HD21))
OR { 382}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 14 and name HD11))
ASSI { 387}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 13 and name HD21))
3.100 1.200 1.200 peak 387 weight 0.10000E+01 volume 0.16415E-02 ppm1 3.176 ppm2 0.915 CV 1
OR { 387}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 14 and name HD11))
OR { 387}
(( segid "A " and resid 9 and name HD2 ))
(( segid "B " and resid 15 and name HG21))
ASSI { 394}
(( segid "B " and resid 12 and name HE2 ))
( segid "A " and resid 4 and name HG2%)
3.700 1.700 1.700 peak 394 weight 0.10000E+01 volume 0.13212E-02 ppm1 3.023 ppm2 0.903 CV 1
OR { 394}
(( segid "A " and resid 7 and name HB2 ))
( segid "A " and resid 4 and name HG2%)
OR { 394}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 13 and name HD11))
OR { 394}
(( segid "A " and resid 8 and name HE2 ))
(( segid "B " and resid 15 and name HG21))
OR { 394}
(( segid "A " and resid 7 and name HB2 ))
(( segid "B " and resid 17 and name HD11))
ASSI { 395}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 13 and name HD11))
3.800 1.800 1.800 peak 395 weight 0.10000E+01 volume 0.16615E-02 ppm1 3.013 ppm2 0.882 CV 1
OR { 395}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 17 and name HG21))
OR { 395}
(( segid "A " and resid 8 and name HE2 ))
(( segid "B " and resid 15 and name HG21))
OR { 395}
(( segid "A " and resid 7 and name HB2 ))
(( segid "B " and resid 17 and name HG21))
OR { 395}
(( segid "A " and resid 7 and name HB2 ))
(( segid "B " and resid 17 and name HD11))
OR { 395}
(( segid "A " and resid 7 and name HB2 ))
(( segid "B " and resid 15 and name HG21))
ASSI { 398}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 17 and name HG21))
4.000 2.000 2.000 peak 398 weight 0.10000E+01 volume 0.13812E-02 ppm1 2.997 ppm2 0.840 CV 1
OR { 398}
(( segid "A " and resid 7 and name HB2 ))
(( segid "B " and resid 17 and name HG21))
OR { 398}
(( segid "A " and resid 7 and name HB2 ))
(( segid "B " and resid 17 and name HD11))
ASSI { 399}
(( segid "B " and resid 12 and name HE2 ))
( segid "A " and resid 4 and name HG2%)
3.700 1.800 1.800 peak 399 weight 0.10000E+01 volume 0.12411E-02 ppm1 2.968 ppm2 0.918 CV 1
OR { 399}
(( segid "A " and resid 7 and name HB2 ))
( segid "A " and resid 4 and name HG2%)
OR { 399}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 13 and name HD11))
OR { 399}
(( segid "A " and resid 8 and name HE2 ))
(( segid "B " and resid 15 and name HG21))
OR { 399}
(( segid "A " and resid 7 and name HB2 ))
(( segid "B " and resid 15 and name HG21))
ASSI { 406}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 9 and name HG2 ))
3.200 1.300 1.300 peak 406 weight 0.10000E+01 volume 0.30626E-02 ppm1 4.705 ppm2 1.630 CV 1
OR { 406}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 13 and name HG ))
OR { 406}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 20 and name HG2 ))
OR { 406}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 14 and name HB2 ))
OR { 406}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 32 and name HG2 ))
ASSI { 409}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 11 and name HB2 ))
3.500 1.500 1.500 peak 409 weight 0.10000E+01 volume 0.15213E-02 ppm1 4.706 ppm2 1.911 CV 1
OR { 409}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 20 and name HB2 ))
ASSI { 420}
(( segid "A " and resid 10 and name HA ))
(( segid "B " and resid 15 and name HD11))
3.300 3.300 2.700 peak 420 weight 0.10000E+01 volume 0.12811E-02 ppm1 4.703 ppm2 0.901 CV 1
OR { 420}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 14 and name HD11))
OR { 420}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 15 and name HD11))
ASSI { 426}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 15 and name HA ))
3.200 1.200 1.200 peak 426 weight 0.10000E+01 volume 0.41837E-02 ppm1 4.550 ppm2 4.225 CV 1
OR { 426}
(( segid "B " and resid 36 and name HA ))
(( segid "B " and resid 33 and name HA ))
OR { 426}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 22 and name HA ))
OR { 426}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 24 and name HA ))
OR { 426}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 20 and name HA ))
OR { 426}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 8 and name HA ))
OR { 426}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 20 and name HA ))
OR { 426}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 24 and name HA ))
OR { 426}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 9 and name HA ))
ASSI { 430}
(( segid "B " and resid 16 and name HA ))
(( segid "A " and resid 8 and name HA ))
2.400 0.700 0.700 peak 430 weight 0.10000E+01 volume 0.27224E-02 ppm1 4.407 ppm2 4.177 CV 1
OR { 430}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 16 and name HB ))
ASSI { 436}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 6 and name HB2 ))
3.900 1.900 1.900 peak 436 weight 0.10000E+01 volume 0.12811E-02 ppm1 4.706 ppm2 2.998 CV 1
OR { 436}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
ASSI { 445}
( segid "A " and resid 6 and name HD% )
(( segid "A " and resid 3 and name HA ))
3.600 1.600 1.600 peak 445 weight 0.10000E+01 volume 0.94083E-03 ppm1 7.106 ppm2 4.229 CV 1
OR { 445}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "B " and resid 16 and name HB ))
ASSI { 457}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 19 and name HB1 ))
4.100 2.100 1.900 peak 457 weight 0.10000E+01 volume 0.82072E-03 ppm1 7.249 ppm2 2.711 CV 1
OR { 457}
( segid "A " and resid 7 and name HD% )
(( segid "B " and resid 19 and name HB1 ))
ASSI { 473}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "B " and resid 17 and name HD11))
4.000 2.000 2.000 peak 473 weight 0.10000E+01 volume 0.74066E-03 ppm1 7.112 ppm2 0.887 CV 1
OR { 473}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "B " and resid 13 and name HD11))
OR { 473}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "B " and resid 15 and name HG21))
ASSI { 486}
(( segid "A " and resid 9 and name HA ))
(( segid "B " and resid 15 and name HD11))
2.900 1.000 1.000 peak 486 weight 0.10000E+01 volume 0.24020E-02 ppm1 4.293 ppm2 0.876 CV 1
OR { 486}
(( segid "A " and resid 9 and name HA ))
(( segid "B " and resid 15 and name HG21))
OR { 486}
(( segid "A " and resid 11 and name HA ))
(( segid "B " and resid 15 and name HD11))
ASSI { 501}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 1 and name HB2 ))
4.100 2.100 1.900 peak 501 weight 0.10000E+01 volume 0.66059E-03 ppm1 7.660 ppm2 1.918 CV 1
OR { 501}
(( segid "A " and resid 3 and name HN ))
(( segid "B " and resid 17 and name HB ))
ASSI { 524}
(( segid "A " and resid 4 and name HB ))
(( segid "B " and resid 17 and name HG21))
3.800 1.800 1.800 peak 524 weight 0.10000E+01 volume 0.13812E-02 ppm1 2.081 ppm2 0.873 CV 1
OR { 524}
(( segid "A " and resid 4 and name HB ))
(( segid "B " and resid 17 and name HD11))
OR { 524}
(( segid "A " and resid 4 and name HB ))
(( segid "B " and resid 15 and name HG21))
ASSI { 528}
( segid "B " and resid 15 and name HG1%)
(( segid "B " and resid 15 and name HD11))
2.600 0.800 0.800 peak 528 weight 0.10000E+01 volume 0.36432E-02 ppm1 1.148 ppm2 0.864 CV 1
OR { 528}
( segid "B " and resid 15 and name HG1%)
(( segid "B " and resid 15 and name HG21))
OR { 528}
( segid "B " and resid 17 and name HG1%)
(( segid "B " and resid 17 and name HD11))
ASSI { 532}
( segid "B " and resid 15 and name HG1%)
(( segid "B " and resid 15 and name HD11))
2.900 1.000 1.000 peak 532 weight 0.10000E+01 volume 0.21018E-02 ppm1 1.143 ppm2 0.842 CV 1
OR { 532}
( segid "B " and resid 17 and name HG1%)
(( segid "B " and resid 17 and name HD11))
ASSI { 535}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 15 and name HD11))
4.500 2.500 1.500 peak 535 weight 0.10000E+01 volume 0.80071E-03 ppm1 4.574 ppm2 0.903 CV 1
OR { 535}
(( segid "A " and resid 7 and name HA ))
( segid "A " and resid 4 and name HG2%)
ASSI { 537}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 13 and name HD21))
3.400 1.500 1.500 peak 537 weight 0.10000E+01 volume 0.10209E-02 ppm1 4.690 ppm2 0.942 CV 1
OR { 537}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 14 and name HD11))
ASSI { 540}
(( segid "A " and resid 9 and name HA ))
( segid "B " and resid 15 and name HG1%)
3.400 1.500 1.500 peak 540 weight 0.10000E+01 volume 0.96084E-03 ppm1 4.297 ppm2 1.146 CV 1
OR { 540}
(( segid "A " and resid 11 and name HA ))
( segid "B " and resid 15 and name HG1%)
ASSI { 541}
(( segid "A " and resid 8 and name HA ))
(( segid "B " and resid 15 and name HG21))
3.100 1.200 1.200 peak 541 weight 0.10000E+01 volume 0.18216E-02 ppm1 4.199 ppm2 0.881 CV 1
OR { 541}
(( segid "B " and resid 16 and name HB ))
(( segid "B " and resid 17 and name HG21))
OR { 541}
(( segid "B " and resid 15 and name HA ))
(( segid "B " and resid 15 and name HD11))
OR { 541}
(( segid "B " and resid 15 and name HA ))
(( segid "B " and resid 15 and name HG21))
ASSI { 542}
(( segid "A " and resid 8 and name HA ))
(( segid "B " and resid 15 and name HG21))
3.000 1.100 1.100 peak 542 weight 0.10000E+01 volume 0.18016E-02 ppm1 4.242 ppm2 0.913 CV 1
OR { 542}
(( segid "A " and resid 1 and name HA ))
( segid "A " and resid 4 and name HG2%)
ASSI { 544}
(( segid "A " and resid 8 and name HA ))
(( segid "B " and resid 15 and name HD11))
3.800 1.800 1.800 peak 544 weight 0.10000E+01 volume 0.70062E-03 ppm1 4.238 ppm2 0.844 CV 1
OR { 544}
(( segid "A " and resid 9 and name HA ))
(( segid "B " and resid 15 and name HD11))
OR { 544}
(( segid "A " and resid 8 and name HA ))
(( segid "B " and resid 17 and name HG21))
ASSI { 556}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 9 and name HD1 ))
2.500 0.800 0.800 peak 556 weight 0.10000E+01 volume 0.28024E-02 ppm1 4.560 ppm2 3.193 CV 1
OR { 556}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 26 and name HB1 ))
OR { 556}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 23 and name HB1 ))
OR { 556}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 9 and name HD2 ))
ASSI { 557}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 26 and name HB1 ))
2.600 0.900 0.900 peak 557 weight 0.10000E+01 volume 0.29627E-02 ppm1 4.587 ppm2 3.174 CV 1
OR { 557}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 23 and name HB1 ))
ASSI { 558}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 23 and name HB2 ))
3.500 1.500 1.500 peak 558 weight 0.10000E+01 volume 0.11010E-02 ppm1 4.558 ppm2 3.049 CV 1
OR { 558}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HB2 ))
ASSI { 566}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 10 and name HB2 ))
4.200 2.200 1.800 peak 566 weight 0.10000E+01 volume 0.90079E-03 ppm1 4.227 ppm2 2.832 CV 1
OR { 566}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 10 and name HB2 ))
ASSI { 567}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 19 and name HB2 ))
4.200 2.200 1.800 peak 567 weight 0.10000E+01 volume 0.82072E-03 ppm1 4.236 ppm2 2.777 CV 1
OR { 567}
(( segid "A " and resid 8 and name HA ))
(( segid "B " and resid 19 and name HB2 ))
OR { 567}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 10 and name HB1 ))
OR { 567}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 10 and name HB1 ))
ASSI { 571}
(( segid "B " and resid 35 and name HB2 ))
(( segid "B " and resid 32 and name HB1 ))
4.300 2.300 1.700 peak 571 weight 0.10000E+01 volume 0.92082E-03 ppm1 3.302 ppm2 1.829 CV 1
OR { 571}
(( segid "A " and resid 2 and name HB2 ))
(( segid "B " and resid 17 and name HB ))
ASSI { 582}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 26 and name HB2 ))
1.900 0.500 0.500 peak 582 weight 0.10000E+01 volume 0.77869E-02 ppm1 3.206 ppm2 3.058 CV 1
OR { 582}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 23 and name HB2 ))
ASSI { 583}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 8 and name HE2 ))
3.100 1.200 1.200 peak 583 weight 0.10000E+01 volume 0.36432E-02 ppm1 3.207 ppm2 2.968 CV 1
OR { 583}
(( segid "A " and resid 9 and name HD1 ))
(( segid "A " and resid 6 and name HB2 ))
OR { 583}
(( segid "A " and resid 9 and name HD1 ))
(( segid "A " and resid 8 and name HE2 ))
OR { 583}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 6 and name HB2 ))
ASSI { 589}
(( segid "A " and resid 7 and name HB1 ))
(( segid "B " and resid 17 and name HG21))
4.200 2.200 1.800 peak 589 weight 0.10000E+01 volume 0.76067E-03 ppm1 3.080 ppm2 0.864 CV 1
OR { 589}
(( segid "A " and resid 7 and name HB1 ))
(( segid "B " and resid 15 and name HG21))
OR { 589}
(( segid "A " and resid 7 and name HB1 ))
(( segid "B " and resid 17 and name HD11))
ASSI { 593}
(( segid "A " and resid 7 and name HB1 ))
( segid "A " and resid 4 and name HG2%)
4.500 2.500 1.500 peak 593 weight 0.10000E+01 volume 0.74066E-03 ppm1 3.091 ppm2 0.909 CV 1
OR { 593}
(( segid "A " and resid 7 and name HB1 ))
(( segid "B " and resid 15 and name HG21))
OR { 593}
(( segid "A " and resid 7 and name HB1 ))
(( segid "B " and resid 17 and name HD11))
ASSI { 597}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 8 and name HG2 ))
2.800 1.000 1.000 peak 597 weight 0.10000E+01 volume 0.88078E-03 ppm1 3.202 ppm2 1.392 CV 1
OR { 597}
(( segid "A " and resid 9 and name HD1 ))
(( segid "A " and resid 8 and name HG2 ))
OR { 597}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 25 and name HG1 ))
ASSI { 599}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 8 and name HG2 ))
2.500 0.800 0.800 peak 599 weight 0.10000E+01 volume 0.14213E-02 ppm1 3.133 ppm2 1.389 CV 1
OR { 599}
(( segid "B " and resid 26 and name HB2 ))
(( segid "B " and resid 31 and name HB1 ))
OR { 599}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 31 and name HB1 ))
ASSI { 601}
(( segid "B " and resid 26 and name HB2 ))
(( segid "B " and resid 31 and name HB1 ))
4.100 2.100 1.900 peak 601 weight 0.10000E+01 volume 0.62055E-03 ppm1 3.106 ppm2 1.418 CV 1
OR { 601}
(( segid "B " and resid 23 and name HB2 ))
(( segid "B " and resid 25 and name HG1 ))
OR { 601}
(( segid "A " and resid 7 and name HB1 ))
(( segid "B " and resid 12 and name HG2 ))
OR { 601}
(( segid "B " and resid 26 and name HB2 ))
(( segid "B " and resid 25 and name HG1 ))
ASSI { 602}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 25 and name HG1 ))
2.900 1.100 1.100 peak 602 weight 0.10000E+01 volume 0.13011E-02 ppm1 3.170 ppm2 1.437 CV 1
OR { 602}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 25 and name HG1 ))
OR { 602}
(( segid "A " and resid 7 and name HB1 ))
(( segid "B " and resid 12 and name HG2 ))
ASSI { 606}
(( segid "B " and resid 32 and name HD2 ))
(( segid "B " and resid 33 and name HB1 ))
3.700 1.700 1.700 peak 606 weight 0.10000E+01 volume 0.14012E-02 ppm1 3.191 ppm2 1.538 CV 1
OR { 606}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 30 and name HG1 ))
ASSI { 607}
(( segid "B " and resid 20 and name HD2 ))
(( segid "B " and resid 20 and name HG2 ))
3.400 1.400 1.400 peak 607 weight 0.10000E+01 volume 0.64056E-03 ppm1 3.192 ppm2 1.624 CV 1
OR { 607}
(( segid "A " and resid 9 and name HD1 ))
(( segid "A " and resid 9 and name HG2 ))
OR { 607}
(( segid "B " and resid 32 and name HD2 ))
(( segid "B " and resid 32 and name HG2 ))
OR { 607}
(( segid "A " and resid 11 and name HD2 ))
(( segid "A " and resid 11 and name HG1 ))
OR { 607}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 9 and name HG2 ))
OR { 607}
(( segid "A " and resid 11 and name HE ))
(( segid "A " and resid 11 and name HG1 ))
OR { 607}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 8 and name HD2 ))
ASSI { 608}
(( segid "B " and resid 20 and name HD2 ))
(( segid "B " and resid 20 and name HG2 ))
2.200 0.600 0.600 peak 608 weight 0.10000E+01 volume 0.88277E-02 ppm1 3.199 ppm2 1.649 CV 1
OR { 608}
(( segid "A " and resid 9 and name HD1 ))
(( segid "A " and resid 9 and name HG2 ))
OR { 608}
(( segid "B " and resid 32 and name HD2 ))
(( segid "B " and resid 32 and name HG2 ))
OR { 608}
(( segid "A " and resid 11 and name HD2 ))
(( segid "A " and resid 11 and name HG1 ))
OR { 608}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 9 and name HG2 ))
OR { 608}
(( segid "A " and resid 11 and name HE ))
(( segid "A " and resid 11 and name HG1 ))
ASSI { 610}
(( segid "A " and resid 9 and name HD1 ))
(( segid "A " and resid 9 and name HB2 ))
2.500 0.800 0.800 peak 610 weight 0.10000E+01 volume 0.84875E-02 ppm1 3.194 ppm2 1.761 CV 1
OR { 610}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 9 and name HB2 ))
OR { 610}
(( segid "B " and resid 32 and name HD2 ))
(( segid "B " and resid 32 and name HB2 ))
OR { 610}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 8 and name HB1 ))
OR { 610}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 21 and name HB1 ))
OR { 610}
(( segid "A " and resid 9 and name HD1 ))
(( segid "A " and resid 8 and name HB1 ))
ASSI { 614}
(( segid "A " and resid 8 and name HE2 ))
(( segid "A " and resid 8 and name HB1 ))
2.800 1.000 1.000 peak 614 weight 0.10000E+01 volume 0.50044E-02 ppm1 2.998 ppm2 1.800 CV 1
OR { 614}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 8 and name HB1 ))
OR { 614}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 11 and name HB1 ))
OR { 614}
(( segid "B " and resid 12 and name HE2 ))
(( segid "A " and resid 8 and name HB1 ))
ASSI { 615}
(( segid "B " and resid 32 and name HD2 ))
(( segid "B " and resid 32 and name HB1 ))
2.300 0.700 0.700 peak 615 weight 0.10000E+01 volume 0.52646E-02 ppm1 3.191 ppm2 1.839 CV 1
OR { 615}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 9 and name HB1 ))
OR { 615}
(( segid "A " and resid 11 and name HE ))
(( segid "A " and resid 11 and name HB1 ))
OR { 615}
(( segid "A " and resid 9 and name HD1 ))
(( segid "A " and resid 9 and name HB1 ))
OR { 615}
(( segid "A " and resid 11 and name HD2 ))
(( segid "A " and resid 11 and name HB1 ))
ASSI { 616}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 12 and name HB2 ))
3.500 1.500 1.500 peak 616 weight 0.10000E+01 volume 0.21418E-02 ppm1 2.991 ppm2 1.913 CV 1
OR { 616}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 11 and name HB2 ))
OR { 616}
(( segid "A " and resid 7 and name HB2 ))
(( segid "B " and resid 12 and name HB2 ))
ASSI { 618}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 29 and name HB2 ))
3.400 1.400 1.400 peak 618 weight 0.10000E+01 volume 0.13011E-02 ppm1 3.205 ppm2 2.105 CV 1
OR { 618}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 28 and name HB2 ))
ASSI { 619}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 29 and name HB2 ))
3.400 1.400 1.400 peak 619 weight 0.10000E+01 volume 0.12611E-02 ppm1 3.211 ppm2 2.064 CV 1
OR { 619}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 27 and name HB2 ))
OR { 619}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 28 and name HB2 ))
OR { 619}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 27 and name HB2 ))
ASSI { 620}
(( segid "B " and resid 26 and name HB2 ))
(( segid "B " and resid 29 and name HB2 ))
3.800 1.800 1.800 peak 620 weight 0.10000E+01 volume 0.10009E-02 ppm1 3.111 ppm2 2.083 CV 1
OR { 620}
(( segid "A " and resid 7 and name HB1 ))
(( segid "A " and resid 4 and name HB ))
ASSI { 621}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 29 and name HB2 ))
4.000 2.000 2.000 peak 621 weight 0.10000E+01 volume 0.66059E-03 ppm1 3.156 ppm2 2.046 CV 1
OR { 621}
(( segid "A " and resid 7 and name HB1 ))
(( segid "A " and resid 4 and name HB ))
OR { 621}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 27 and name HB2 ))
ASSI { 622}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 27 and name HB2 ))
4.500 2.500 1.500 peak 622 weight 0.10000E+01 volume 0.68060E-03 ppm1 3.180 ppm2 1.995 CV 1
OR { 622}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 27 and name HB1 ))
OR { 622}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 22 and name HB1 ))
ASSI { 623}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 27 and name HB2 ))
4.300 2.300 1.700 peak 623 weight 0.10000E+01 volume 0.86075E-03 ppm1 3.210 ppm2 2.001 CV 1
OR { 623}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 22 and name HB1 ))
ASSI { 627}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 4 and name HB ))
3.500 1.500 1.500 peak 627 weight 0.10000E+01 volume 0.18616E-02 ppm1 2.993 ppm2 2.076 CV 1
OR { 627}
(( segid "B " and resid 12 and name HE2 ))
(( segid "A " and resid 4 and name HB ))
ASSI { 631}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 27 and name HG1 ))
3.500 1.500 1.500 peak 631 weight 0.10000E+01 volume 0.11810E-02 ppm1 3.179 ppm2 2.368 CV 1
OR { 631}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 29 and name HG2 ))
OR { 631}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 27 and name HG1 ))
ASSI { 632}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 27 and name HG2 ))
3.900 1.900 1.900 peak 632 weight 0.10000E+01 volume 0.13612E-02 ppm1 3.199 ppm2 2.278 CV 1
OR { 632}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 22 and name HG1 ))
OR { 632}
(( segid "B " and resid 32 and name HD2 ))
(( segid "B " and resid 27 and name HG2 ))
OR { 632}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 27 and name HG2 ))
ASSI { 633}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 27 and name HG2 ))
4.100 2.100 1.900 peak 633 weight 0.10000E+01 volume 0.96084E-03 ppm1 3.190 ppm2 2.206 CV 1
OR { 633}
(( segid "B " and resid 23 and name HB1 ))
(( segid "B " and resid 22 and name HG1 ))
OR { 633}
(( segid "B " and resid 18 and name HB1 ))
(( segid "B " and resid 22 and name HG2 ))
OR { 633}
(( segid "B " and resid 32 and name HD2 ))
(( segid "B " and resid 27 and name HG2 ))
OR { 633}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 27 and name HG2 ))
ASSI { 638}
(( segid "B " and resid 18 and name HB1 ))
(( segid "B " and resid 19 and name HB1 ))
3.900 1.900 1.900 peak 638 weight 0.10000E+01 volume 0.72063E-03 ppm1 3.207 ppm2 2.723 CV 1
OR { 638}
(( segid "A " and resid 9 and name HD1 ))
(( segid "A " and resid 10 and name HB1 ))
OR { 638}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 19 and name HB1 ))
OR { 638}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 10 and name HB1 ))
ASSI { 639}
(( segid "B " and resid 18 and name HB1 ))
(( segid "B " and resid 19 and name HB2 ))
3.300 1.400 1.400 peak 639 weight 0.10000E+01 volume 0.15414E-02 ppm1 3.209 ppm2 2.789 CV 1
OR { 639}
(( segid "A " and resid 9 and name HD1 ))
(( segid "A " and resid 10 and name HB1 ))
OR { 639}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 10 and name HB1 ))
ASSI { 640}
(( segid "A " and resid 9 and name HD1 ))
(( segid "A " and resid 10 and name HB2 ))
3.300 1.400 1.400 peak 640 weight 0.10000E+01 volume 0.14613E-02 ppm1 3.209 ppm2 2.868 CV 1
OR { 640}
(( segid "A " and resid 11 and name HE ))
(( segid "A " and resid 10 and name HB2 ))
OR { 640}
(( segid "A " and resid 11 and name HD2 ))
(( segid "A " and resid 10 and name HB2 ))
ASSI { 642}
(( segid "A " and resid 8 and name HE2 ))
(( segid "A " and resid 8 and name HD2 ))
3.200 1.300 1.300 peak 642 weight 0.10000E+01 volume 0.17415E-02 ppm1 3.002 ppm2 1.622 CV 1
OR { 642}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 13 and name HB2 ))
OR { 642}
(( segid "A " and resid 8 and name HE2 ))
(( segid "A " and resid 9 and name HG2 ))
ASSI { 643}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 3 and name HD1 ))
3.600 1.700 1.700 peak 643 weight 0.10000E+01 volume 0.23620E-02 ppm1 2.995 ppm2 1.556 CV 1
OR { 643}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 13 and name HB2 ))
ASSI { 646}
(( segid "A " and resid 8 and name HE2 ))
(( segid "A " and resid 8 and name HG2 ))
2.600 0.900 0.900 peak 646 weight 0.10000E+01 volume 0.68060E-02 ppm1 2.998 ppm2 1.393 CV 1
OR { 646}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 12 and name HG2 ))
ASSI { 647}
(( segid "A " and resid 8 and name HE2 ))
(( segid "A " and resid 8 and name HG2 ))
2.800 1.000 1.000 peak 647 weight 0.10000E+01 volume 0.50444E-02 ppm1 2.997 ppm2 1.345 CV 1
OR { 647}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 651}
(( segid "B " and resid 19 and name HB1 ))
(( segid "B " and resid 24 and name HB1 ))
3.200 1.300 1.300 peak 651 weight 0.10000E+01 volume 0.96084E-03 ppm1 2.736 ppm2 1.398 CV 1
OR { 651}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 24 and name HB1 ))
OR { 651}
(( segid "A " and resid 10 and name HB1 ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 655}
(( segid "B " and resid 17 and name HB ))
(( segid "B " and resid 17 and name HD11))
2.200 0.600 0.600 peak 655 weight 0.10000E+01 volume 0.44238E-02 ppm1 1.828 ppm2 0.865 CV 1
OR { 655}
(( segid "B " and resid 17 and name HB ))
(( segid "B " and resid 17 and name HG21))
OR { 655}
(( segid "B " and resid 15 and name HB ))
(( segid "B " and resid 15 and name HG21))
OR { 655}
(( segid "B " and resid 15 and name HB ))
(( segid "B " and resid 15 and name HD11))
ASSI { 657}
(( segid "B " and resid 13 and name HB2 ))
(( segid "B " and resid 13 and name HD11))
2.400 0.700 0.700 peak 657 weight 0.10000E+01 volume 0.65057E-02 ppm1 1.611 ppm2 0.880 CV 1
OR { 657}
(( segid "B " and resid 13 and name HG ))
(( segid "B " and resid 13 and name HD11))
OR { 657}
(( segid "B " and resid 14 and name HG ))
(( segid "B " and resid 14 and name HD21))
OR { 657}
(( segid "B " and resid 14 and name HB2 ))
(( segid "B " and resid 14 and name HD21))
OR { 657}
(( segid "B " and resid 13 and name HG ))
(( segid "B " and resid 17 and name HG21))
ASSI { 658}
(( segid "B " and resid 13 and name HG ))
(( segid "B " and resid 13 and name HD21))
2.200 0.600 0.600 peak 658 weight 0.10000E+01 volume 0.75267E-02 ppm1 1.619 ppm2 0.917 CV 1
OR { 658}
(( segid "B " and resid 13 and name HB2 ))
(( segid "B " and resid 13 and name HD11))
OR { 658}
(( segid "B " and resid 14 and name HG ))
(( segid "B " and resid 14 and name HD11))
OR { 658}
(( segid "B " and resid 13 and name HG ))
(( segid "B " and resid 13 and name HD11))
OR { 658}
(( segid "B " and resid 14 and name HG ))
(( segid "B " and resid 14 and name HD21))
OR { 658}
(( segid "B " and resid 14 and name HB2 ))
(( segid "B " and resid 14 and name HD11))
OR { 658}
(( segid "B " and resid 13 and name HB2 ))
(( segid "B " and resid 13 and name HD21))
ASSI { 659}
(( segid "B " and resid 13 and name HG ))
(( segid "B " and resid 13 and name HD21))
2.200 0.600 0.600 peak 659 weight 0.10000E+01 volume 0.76467E-02 ppm1 1.619 ppm2 0.955 CV 1
OR { 659}
(( segid "B " and resid 13 and name HB2 ))
(( segid "B " and resid 13 and name HD11))
OR { 659}
(( segid "B " and resid 14 and name HG ))
(( segid "B " and resid 14 and name HD11))
OR { 659}
(( segid "B " and resid 13 and name HG ))
(( segid "B " and resid 13 and name HD11))
OR { 659}
(( segid "B " and resid 14 and name HB2 ))
(( segid "B " and resid 14 and name HD11))
OR { 659}
(( segid "A " and resid 8 and name HD2 ))
( segid "A " and resid 4 and name HG1%)
ASSI { 664}
(( segid "B " and resid 12 and name HG2 ))
( segid "A " and resid 4 and name HG2%)
3.700 1.700 1.700 peak 664 weight 0.10000E+01 volume 0.15414E-02 ppm1 1.396 ppm2 0.948 CV 1
OR { 664}
(( segid "B " and resid 12 and name HG2 ))
( segid "A " and resid 4 and name HG1%)
OR { 664}
(( segid "A " and resid 8 and name HG2 ))
( segid "A " and resid 4 and name HG1%)
ASSI { 666}
(( segid "B " and resid 12 and name HG2 ))
( segid "A " and resid 4 and name HG2%)
3.200 1.300 1.300 peak 666 weight 0.10000E+01 volume 0.23620E-02 ppm1 1.467 ppm2 0.907 CV 1
OR { 666}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 13 and name HD11))
ASSI { 667}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 17 and name HG21))
2.300 0.700 0.700 peak 667 weight 0.10000E+01 volume 0.30827E-02 ppm1 1.465 ppm2 0.870 CV 1
OR { 667}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 15 and name HG21))
ASSI { 668}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 17 and name HG21))
2.500 0.800 0.800 peak 668 weight 0.10000E+01 volume 0.21619E-02 ppm1 1.392 ppm2 0.862 CV 1
OR { 668}
(( segid "A " and resid 8 and name HG2 ))
(( segid "B " and resid 15 and name HG21))
OR { 668}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 15 and name HG21))
ASSI { 679}
(( segid "B " and resid 12 and name HD2 ))
(( segid "B " and resid 17 and name HG21))
3.500 1.600 1.600 peak 679 weight 0.10000E+01 volume 0.14213E-02 ppm1 1.694 ppm2 0.869 CV 1
OR { 679}
(( segid "A " and resid 8 and name HD2 ))
(( segid "B " and resid 15 and name HG21))
OR { 679}
(( segid "A " and resid 11 and name HG1 ))
(( segid "B " and resid 15 and name HD11))
OR { 679}
(( segid "A " and resid 9 and name HB2 ))
(( segid "B " and resid 15 and name HD11))
OR { 679}
(( segid "A " and resid 3 and name HB2 ))
(( segid "B " and resid 17 and name HD11))
OR { 679}
(( segid "A " and resid 9 and name HB2 ))
(( segid "B " and resid 15 and name HG21))
OR { 679}
(( segid "B " and resid 12 and name HD2 ))
(( segid "B " and resid 15 and name HG21))
OR { 679}
(( segid "A " and resid 3 and name HB2 ))
(( segid "B " and resid 17 and name HG21))
ASSI { 680}
(( segid "A " and resid 8 and name HD2 ))
( segid "A " and resid 4 and name HG2%)
3.400 1.500 1.500 peak 680 weight 0.10000E+01 volume 0.13212E-02 ppm1 1.698 ppm2 0.912 CV 1
OR { 680}
(( segid "B " and resid 12 and name HD2 ))
(( segid "B " and resid 13 and name HD11))
OR { 680}
(( segid "B " and resid 12 and name HD2 ))
( segid "A " and resid 4 and name HG2%)
OR { 680}
(( segid "A " and resid 3 and name HB2 ))
( segid "A " and resid 4 and name HG2%)
ASSI { 681}
(( segid "B " and resid 15 and name HB ))
(( segid "B " and resid 15 and name HG21))
3.600 1.600 1.600 peak 681 weight 0.10000E+01 volume 0.68060E-03 ppm1 1.823 ppm2 0.898 CV 1
OR { 681}
(( segid "B " and resid 15 and name HB ))
(( segid "B " and resid 15 and name HD11))
OR { 681}
(( segid "A " and resid 8 and name HB1 ))
(( segid "B " and resid 15 and name HG21))
ASSI { 682}
(( segid "B " and resid 15 and name HB ))
(( segid "B " and resid 15 and name HG21))
3.400 1.400 1.400 peak 682 weight 0.10000E+01 volume 0.13011E-02 ppm1 1.804 ppm2 0.944 CV 1
OR { 682}
(( segid "A " and resid 8 and name HB1 ))
( segid "A " and resid 4 and name HG1%)
ASSI { 683}
(( segid "B " and resid 12 and name HB2 ))
( segid "A " and resid 4 and name HG1%)
2.500 0.800 0.800 peak 683 weight 0.10000E+01 volume 0.19617E-02 ppm1 1.911 ppm2 0.976 CV 1
OR { 683}
(( segid "A " and resid 1 and name HB2 ))
( segid "A " and resid 4 and name HG2%)
ASSI { 688}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 16 and name HG21))
3.000 3.000 3.000 peak 688 weight 0.10000E+01 volume 0.26623E-02 ppm1 1.396 ppm2 1.161 CV 1
OR { 688}
(( segid "A " and resid 8 and name HG2 ))
( segid "B " and resid 15 and name HG1%)
OR { 688}
(( segid "B " and resid 12 and name HG2 ))
( segid "B " and resid 17 and name HG1%)
ASSI { 692}
(( segid "B " and resid 12 and name HG2 ))
(( segid "A " and resid 3 and name HG2 ))
4.100 2.100 1.900 peak 692 weight 0.10000E+01 volume 0.10609E-02 ppm1 1.399 ppm2 1.059 CV 1
OR { 692}
(( segid "A " and resid 8 and name HG2 ))
(( segid "A " and resid 3 and name HG2 ))
ASSI { 694}
(( segid "A " and resid 8 and name HG2 ))
( segid "B " and resid 15 and name HG1%)
3.900 1.900 1.900 peak 694 weight 0.10000E+01 volume 0.96084E-03 ppm1 1.310 ppm2 1.174 CV 1
OR { 694}
(( segid "A " and resid 8 and name HG2 ))
(( segid "B " and resid 16 and name HG21))
ASSI { 698}
(( segid "B " and resid 20 and name HG2 ))
( segid "B " and resid 17 and name HG1%)
3.500 1.600 1.600 peak 698 weight 0.10000E+01 volume 0.13812E-02 ppm1 1.632 ppm2 1.154 CV 1
OR { 698}
(( segid "B " and resid 13 and name HG ))
( segid "B " and resid 17 and name HG1%)
OR { 698}
(( segid "B " and resid 14 and name HG ))
( segid "B " and resid 15 and name HG1%)
OR { 698}
(( segid "A " and resid 8 and name HD2 ))
(( segid "B " and resid 16 and name HG21))
OR { 698}
(( segid "B " and resid 13 and name HB2 ))
( segid "B " and resid 17 and name HG1%)
ASSI { 699}
(( segid "B " and resid 34 and name HB2 ))
(( segid "B " and resid 34 and name HG1 ))
2.500 0.800 0.800 peak 699 weight 0.10000E+01 volume 0.41236E-02 ppm1 1.734 ppm2 1.308 CV 1
OR { 699}
(( segid "A " and resid 9 and name HB2 ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 700}
(( segid "B " and resid 34 and name HB2 ))
(( segid "B " and resid 34 and name HG1 ))
2.700 0.900 0.900 peak 700 weight 0.10000E+01 volume 0.35030E-02 ppm1 1.686 ppm2 1.356 CV 1
OR { 700}
(( segid "B " and resid 21 and name HD1 ))
(( segid "B " and resid 21 and name HG2 ))
OR { 700}
(( segid "A " and resid 8 and name HD2 ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 701}
(( segid "B " and resid 34 and name HD2 ))
(( segid "B " and resid 34 and name HG1 ))
2.400 0.700 0.700 peak 701 weight 0.10000E+01 volume 0.55449E-02 ppm1 1.641 ppm2 1.307 CV 1
OR { 701}
(( segid "A " and resid 8 and name HD2 ))
(( segid "A " and resid 8 and name HG2 ))
OR { 701}
(( segid "A " and resid 9 and name HG2 ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 702}
(( segid "B " and resid 32 and name HB1 ))
(( segid "B " and resid 34 and name HG1 ))
4.000 2.000 2.000 peak 702 weight 0.10000E+01 volume 0.90079E-03 ppm1 1.825 ppm2 1.294 CV 1
OR { 702}
(( segid "B " and resid 30 and name HB2 ))
(( segid "B " and resid 34 and name HG1 ))
ASSI { 705}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 8 and name HD2 ))
2.200 0.600 0.600 peak 705 weight 0.10000E+01 volume 0.12891E-01 ppm1 1.839 ppm2 1.647 CV 1
OR { 705}
(( segid "A " and resid 11 and name HB1 ))
(( segid "A " and resid 11 and name HG1 ))
OR { 705}
(( segid "A " and resid 9 and name HB1 ))
(( segid "A " and resid 9 and name HG2 ))
OR { 705}
(( segid "B " and resid 21 and name HB1 ))
(( segid "B " and resid 21 and name HD1 ))
OR { 705}
(( segid "B " and resid 32 and name HB1 ))
(( segid "B " and resid 32 and name HG2 ))
ASSI { 706}
(( segid "B " and resid 32 and name HB1 ))
(( segid "B " and resid 33 and name HB1 ))
4.300 2.300 1.700 peak 706 weight 0.10000E+01 volume 0.68060E-03 ppm1 1.810 ppm2 1.465 CV 1
OR { 706}
(( segid "A " and resid 8 and name HB1 ))
(( segid "B " and resid 12 and name HG2 ))
OR { 706}
(( segid "B " and resid 32 and name HB2 ))
(( segid "B " and resid 33 and name HB1 ))
OR { 706}
(( segid "B " and resid 30 and name HB2 ))
(( segid "B " and resid 33 and name HB1 ))
ASSI { 707}
(( segid "B " and resid 32 and name HB2 ))
(( segid "B " and resid 32 and name HG2 ))
2.100 0.500 0.500 peak 707 weight 0.10000E+01 volume 0.15614E-01 ppm1 1.756 ppm2 1.631 CV 1
OR { 707}
(( segid "A " and resid 9 and name HB2 ))
(( segid "A " and resid 9 and name HG2 ))
OR { 707}
(( segid "B " and resid 34 and name HB2 ))
(( segid "B " and resid 34 and name HD2 ))
OR { 707}
(( segid "B " and resid 25 and name HB2 ))
(( segid "B " and resid 25 and name HD1 ))
ASSI { 709}
(( segid "B " and resid 13 and name HB2 ))
(( segid "B " and resid 12 and name HG2 ))
3.000 1.100 1.100 peak 709 weight 0.10000E+01 volume 0.28625E-02 ppm1 1.558 ppm2 1.413 CV 1
OR { 709}
(( segid "B " and resid 13 and name HG ))
(( segid "B " and resid 12 and name HG2 ))
OR { 709}
(( segid "B " and resid 30 and name HG1 ))
(( segid "B " and resid 31 and name HB1 ))
ASSI { 710}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 24 and name HB1 ))
3.500 1.500 1.500 peak 710 weight 0.10000E+01 volume 0.16615E-02 ppm1 2.364 ppm2 1.438 CV 1
OR { 710}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 24 and name HB1 ))
ASSI { 712}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 31 and name HB1 ))
4.300 2.300 1.700 peak 712 weight 0.10000E+01 volume 0.66059E-03 ppm1 2.357 ppm2 1.399 CV 1
OR { 712}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 24 and name HB1 ))
ASSI { 714}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 34 and name HG1 ))
4.200 2.200 1.800 peak 714 weight 0.10000E+01 volume 0.84075E-03 ppm1 2.413 ppm2 1.314 CV 1
OR { 714}
(( segid "A " and resid 1 and name HG2 ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 725}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 34 and name HB2 ))
3.500 1.500 1.500 peak 725 weight 0.10000E+01 volume 0.90079E-03 ppm1 2.277 ppm2 1.713 CV 1
OR { 725}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 30 and name HB1 ))
ASSI { 726}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 32 and name HB2 ))
3.600 1.600 1.600 peak 726 weight 0.10000E+01 volume 0.10810E-02 ppm1 2.283 ppm2 1.729 CV 1
OR { 726}
(( segid "B " and resid 29 and name HG2 ))
(( segid "B " and resid 30 and name HB1 ))
ASSI { 727}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 32 and name HB2 ))
3.700 1.700 1.700 peak 727 weight 0.10000E+01 volume 0.11010E-02 ppm1 2.285 ppm2 1.766 CV 1
OR { 727}
(( segid "B " and resid 29 and name HG2 ))
(( segid "B " and resid 30 and name HB1 ))
OR { 727}
(( segid "B " and resid 29 and name HG2 ))
(( segid "B " and resid 30 and name HB2 ))
OR { 727}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 30 and name HB2 ))
ASSI { 728}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 32 and name HB2 ))
3.800 1.800 1.800 peak 728 weight 0.10000E+01 volume 0.12811E-02 ppm1 2.357 ppm2 1.770 CV 1
OR { 728}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 32 and name HB2 ))
OR { 728}
(( segid "B " and resid 29 and name HG2 ))
(( segid "B " and resid 30 and name HB1 ))
OR { 728}
(( segid "B " and resid 29 and name HG2 ))
(( segid "B " and resid 30 and name HB2 ))
ASSI { 729}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 32 and name HB2 ))
3.900 1.900 1.900 peak 729 weight 0.10000E+01 volume 0.10609E-02 ppm1 2.359 ppm2 1.725 CV 1
OR { 729}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 32 and name HB2 ))
OR { 729}
(( segid "B " and resid 29 and name HG2 ))
(( segid "B " and resid 30 and name HB1 ))
ASSI { 733}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 32 and name HB2 ))
3.900 1.900 1.900 peak 733 weight 0.10000E+01 volume 0.10609E-02 ppm1 2.403 ppm2 1.813 CV 1
OR { 733}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 32 and name HB2 ))
OR { 733}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 32 and name HB1 ))
OR { 733}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 32 and name HB1 ))
ASSI { 734}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 32 and name HB1 ))
4.400 2.400 1.600 peak 734 weight 0.10000E+01 volume 0.74066E-03 ppm1 2.371 ppm2 1.822 CV 1
OR { 734}
(( segid "A " and resid 1 and name HG2 ))
(( segid "A " and resid 8 and name HB1 ))
OR { 734}
(( segid "B " and resid 29 and name HG2 ))
(( segid "B " and resid 30 and name HB2 ))
OR { 734}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 32 and name HB1 ))
ASSI { 735}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 32 and name HB1 ))
3.800 1.800 1.800 peak 735 weight 0.10000E+01 volume 0.10009E-02 ppm1 2.277 ppm2 1.825 CV 1
OR { 735}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 30 and name HB2 ))
ASSI { 738}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 28 and name HB2 ))
3.000 1.100 1.100 peak 738 weight 0.10000E+01 volume 0.24020E-02 ppm1 2.366 ppm2 2.102 CV 1
OR { 738}
(( segid "B " and resid 29 and name HG2 ))
(( segid "B " and resid 29 and name HB2 ))
ASSI { 739}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 27 and name HB2 ))
2.600 0.800 0.800 peak 739 weight 0.10000E+01 volume 0.33228E-02 ppm1 2.363 ppm2 2.068 CV 1
OR { 739}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 28 and name HB2 ))
OR { 739}
(( segid "B " and resid 29 and name HG2 ))
(( segid "B " and resid 29 and name HB2 ))
OR { 739}
(( segid "A " and resid 1 and name HG2 ))
(( segid "A " and resid 1 and name HE1 ))
ASSI { 740}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 27 and name HB2 ))
2.800 1.000 1.000 peak 740 weight 0.10000E+01 volume 0.15614E-02 ppm1 2.356 ppm2 2.037 CV 1
OR { 740}
(( segid "B " and resid 29 and name HG2 ))
(( segid "B " and resid 29 and name HB2 ))
ASSI { 742}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 27 and name HB1 ))
2.900 1.000 1.000 peak 742 weight 0.10000E+01 volume 0.26222E-02 ppm1 2.280 ppm2 1.948 CV 1
OR { 742}
(( segid "B " and resid 22 and name HG1 ))
(( segid "B " and resid 22 and name HB1 ))
ASSI { 744}
(( segid "B " and resid 22 and name HG2 ))
(( segid "B " and resid 22 and name HB1 ))
3.300 1.300 1.300 peak 744 weight 0.10000E+01 volume 0.14012E-02 ppm1 2.208 ppm2 1.934 CV 1
OR { 744}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 27 and name HB1 ))
OR { 744}
(( segid "B " and resid 22 and name HG1 ))
(( segid "B " and resid 22 and name HB1 ))
ASSI { 745}
(( segid "B " and resid 22 and name HG2 ))
(( segid "B " and resid 22 and name HB1 ))
3.400 1.500 1.500 peak 745 weight 0.10000E+01 volume 0.96084E-03 ppm1 2.209 ppm2 2.006 CV 1
OR { 745}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 27 and name HB2 ))
OR { 745}
(( segid "B " and resid 22 and name HG1 ))
(( segid "B " and resid 22 and name HB1 ))
ASSI { 758}
(( segid "A " and resid 10 and name HB1 ))
(( segid "A " and resid 11 and name HG1 ))
4.600 2.600 1.400 peak 758 weight 0.10000E+01 volume 0.72063E-03 ppm1 2.762 ppm2 1.673 CV 1
OR { 758}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 20 and name HG2 ))
ASSI { 759}
(( segid "A " and resid 10 and name HB1 ))
(( segid "A " and resid 11 and name HG1 ))
4.300 2.300 1.700 peak 759 weight 0.10000E+01 volume 0.60052E-03 ppm1 2.782 ppm2 1.645 CV 1
OR { 759}
(( segid "A " and resid 10 and name HB1 ))
(( segid "A " and resid 9 and name HG2 ))
OR { 759}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 20 and name HG2 ))
ASSI { 766}
(( segid "A " and resid 10 and name HB1 ))
(( segid "A " and resid 11 and name HB1 ))
4.500 2.600 1.500 peak 766 weight 0.10000E+01 volume 0.68060E-03 ppm1 2.724 ppm2 1.824 CV 1
OR { 766}
(( segid "B " and resid 19 and name HB1 ))
(( segid "B " and resid 15 and name HB ))
OR { 766}
(( segid "A " and resid 10 and name HB1 ))
(( segid "A " and resid 9 and name HB1 ))
ASSI { 768}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 9 and name HG2 ))
4.400 2.400 1.600 peak 768 weight 0.10000E+01 volume 0.78068E-03 ppm1 2.841 ppm2 1.626 CV 1
OR { 768}
(( segid "A " and resid 3 and name HE1 ))
(( segid "B " and resid 13 and name HG ))
OR { 768}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 11 and name HG1 ))
ASSI { 774}
(( segid "A " and resid 3 and name HE1 ))
(( segid "B " and resid 12 and name HG2 ))
4.200 2.200 1.800 peak 774 weight 0.10000E+01 volume 0.74066E-03 ppm1 2.883 ppm2 1.387 CV 1
OR { 774}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 777}
(( segid "B " and resid 20 and name HD2 ))
( segid "B " and resid 17 and name HG1%)
3.700 1.700 1.700 peak 777 weight 0.10000E+01 volume 0.76067E-03 ppm1 3.208 ppm2 1.202 CV 1
OR { 777}
(( segid "B " and resid 18 and name HB1 ))
( segid "B " and resid 17 and name HG1%)
ASSI { 792}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 19 and name HB1 ))
3.900 1.900 1.900 peak 792 weight 0.10000E+01 volume 0.72063E-03 ppm1 4.234 ppm2 2.702 CV 1
OR { 792}
(( segid "B " and resid 24 and name HA ))
(( segid "B " and resid 19 and name HB1 ))
OR { 792}
(( segid "A " and resid 8 and name HA ))
(( segid "B " and resid 19 and name HB1 ))
ASSI { 804}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 22 and name HG2 ))
4.000 2.000 2.000 peak 804 weight 0.10000E+01 volume 0.68060E-03 ppm1 7.273 ppm2 2.210 CV 1
OR { 804}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 27 and name HG2 ))
OR { 804}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 22 and name HG1 ))
ASSI { 805}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 22 and name HG1 ))
4.400 2.400 1.600 peak 805 weight 0.10000E+01 volume 0.62055E-03 ppm1 7.327 ppm2 2.220 CV 1
OR { 805}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 27 and name HG2 ))
ASSI { 808}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 12 and name HG2 ))
3.100 1.200 1.200 peak 808 weight 0.10000E+01 volume 0.88078E-03 ppm1 4.448 ppm2 1.469 CV 1
OR { 808}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 12 and name HG2 ))
ASSI { 810}
(( segid "B " and resid 36 and name HB2 ))
(( segid "B " and resid 32 and name HG2 ))
2.500 2.500 3.500 peak 810 weight 0.10000E+01 volume 0.60052E-03 ppm1 2.529 ppm2 1.638 CV 1
OR { 810}
(( segid "B " and resid 36 and name HB2 ))
(( segid "B " and resid 34 and name HD2 ))
ASSI { 812}
(( segid "A " and resid 4 and name HB ))
(( segid "A " and resid 8 and name HG2 ))
4.100 2.100 1.900 peak 812 weight 0.10000E+01 volume 0.11410E-02 ppm1 2.091 ppm2 1.316 CV 1
OR { 812}
(( segid "A " and resid 1 and name HE1 ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 813}
(( segid "B " and resid 27 and name HB2 ))
(( segid "B " and resid 24 and name HB1 ))
4.100 2.100 1.900 peak 813 weight 0.10000E+01 volume 0.84075E-03 ppm1 1.996 ppm2 1.396 CV 1
OR { 813}
(( segid "B " and resid 27 and name HB2 ))
(( segid "B " and resid 31 and name HB1 ))
ASSI { 817}
(( segid "A " and resid 4 and name HB ))
(( segid "A " and resid 8 and name HD2 ))
3.700 1.700 1.700 peak 817 weight 0.10000E+01 volume 0.20218E-02 ppm1 2.084 ppm2 1.666 CV 1
OR { 817}
(( segid "A " and resid 4 and name HB ))
(( segid "B " and resid 12 and name HD2 ))
OR { 817}
(( segid "A " and resid 1 and name HE1 ))
(( segid "A " and resid 3 and name HB2 ))
OR { 817}
(( segid "A " and resid 4 and name HB ))
(( segid "A " and resid 3 and name HB2 ))
ASSI { 818}
(( segid "A " and resid 1 and name HE1 ))
(( segid "A " and resid 1 and name HB2 ))
2.000 0.500 0.500 peak 818 weight 0.10000E+01 volume 0.14213E-02 ppm1 2.086 ppm2 1.886 CV 1
OR { 818}
(( segid "A " and resid 4 and name HB ))
(( segid "B " and resid 12 and name HB2 ))
ASSI { 819}
(( segid "A " and resid 4 and name HB ))
(( segid "A " and resid 8 and name HB1 ))
3.500 1.500 1.500 peak 819 weight 0.10000E+01 volume 0.11410E-02 ppm1 2.095 ppm2 1.827 CV 1
OR { 819}
(( segid "B " and resid 29 and name HB2 ))
(( segid "B " and resid 30 and name HB2 ))
ASSI { 820}
(( segid "B " and resid 29 and name HB2 ))
(( segid "B " and resid 30 and name HB1 ))
3.500 1.500 1.500 peak 820 weight 0.10000E+01 volume 0.14213E-02 ppm1 2.085 ppm2 1.748 CV 1
OR { 820}
(( segid "B " and resid 29 and name HB2 ))
(( segid "B " and resid 30 and name HB2 ))
OR { 820}
(( segid "A " and resid 4 and name HB ))
(( segid "B " and resid 12 and name HD2 ))
OR { 820}
(( segid "B " and resid 28 and name HB2 ))
(( segid "B " and resid 32 and name HB2 ))
ASSI { 826}
(( segid "B " and resid 17 and name HD11))
(( segid "B " and resid 17 and name HG21))
3.000 1.200 1.200 peak 826 weight 0.10000E+01 volume 0.37833E-02 ppm1 0.903 ppm2 0.809 CV 1
OR { 826}
(( segid "B " and resid 13 and name HD11))
(( segid "B " and resid 17 and name HG21))
ASSI { 827}
(( segid "B " and resid 20 and name HG2 ))
( segid "B " and resid 17 and name HG1%)
3.300 1.300 1.300 peak 827 weight 0.10000E+01 volume 0.12411E-02 ppm1 1.693 ppm2 1.205 CV 1
OR { 827}
(( segid "A " and resid 9 and name HB2 ))
( segid "B " and resid 15 and name HG1%)
OR { 827}
(( segid "A " and resid 8 and name HD2 ))
( segid "B " and resid 15 and name HG1%)
ASSI { 830}
(( segid "A " and resid 4 and name HB ))
(( segid "A " and resid 1 and name HB2 ))
3.700 1.700 1.700 peak 830 weight 0.10000E+01 volume 0.12011E-02 ppm1 2.109 ppm2 1.953 CV 1
OR { 830}
(( segid "B " and resid 28 and name HB2 ))
(( segid "B " and resid 27 and name HB1 ))
ASSI { 832}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 12 and name HD2 ))
1.800 0.400 0.400 peak 832 weight 0.10000E+01 volume 0.32629E-01 ppm1 2.996 ppm2 1.689 CV 1
OR { 832}
(( segid "A " and resid 8 and name HE2 ))
(( segid "A " and resid 8 and name HD2 ))
OR { 832}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 3 and name HB2 ))
ASSI { 833}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 27 and name HB2 ))
4.300 2.300 1.700 peak 833 weight 0.10000E+01 volume 0.66059E-03 ppm1 4.567 ppm2 1.999 CV 1
OR { 833}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 22 and name HB1 ))
OR { 833}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 22 and name HB1 ))
ASSI { 834}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 22 and name HB1 ))
4.400 2.400 1.600 peak 834 weight 0.10000E+01 volume 0.64056E-03 ppm1 4.560 ppm2 1.967 CV 1
OR { 834}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 22 and name HB1 ))
OR { 834}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 27 and name HB1 ))
OR { 834}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 27 and name HB1 ))
ASSI { 835}
(( segid "B " and resid 16 and name HA ))
(( segid "A " and resid 4 and name HB ))
4.200 2.200 1.800 peak 835 weight 0.10000E+01 volume 0.80071E-03 ppm1 4.430 ppm2 2.050 CV 1
OR { 835}
(( segid "B " and resid 13 and name HA ))
(( segid "A " and resid 4 and name HB ))
ASSI { 841}
(( segid "A " and resid 4 and name HB ))
(( segid "A " and resid 3 and name HG2 ))
3.900 1.900 1.900 peak 841 weight 0.10000E+01 volume 0.78068E-03 ppm1 2.085 ppm2 1.038 CV 1
OR { 841}
(( segid "A " and resid 1 and name HE1 ))
(( segid "A " and resid 3 and name HG2 ))
ASSI { 842}
(( segid "A " and resid 4 and name HB ))
(( segid "A " and resid 8 and name HG2 ))
4.000 2.000 2.000 peak 842 weight 0.10000E+01 volume 0.11210E-02 ppm1 2.088 ppm2 1.363 CV 1
OR { 842}
(( segid "B " and resid 29 and name HB2 ))
(( segid "B " and resid 31 and name HB1 ))
OR { 842}
(( segid "A " and resid 1 and name HE1 ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 844}
(( segid "A " and resid 1 and name HE1 ))
(( segid "A " and resid 3 and name HD1 ))
4.600 2.700 1.400 peak 844 weight 0.10000E+01 volume 0.11210E-02 ppm1 2.079 ppm2 1.540 CV 1
OR { 844}
(( segid "A " and resid 4 and name HB ))
(( segid "A " and resid 3 and name HD1 ))
OR { 844}
(( segid "B " and resid 29 and name HB2 ))
(( segid "B " and resid 30 and name HG1 ))
ASSI { 846}
(( segid "B " and resid 22 and name HG2 ))
(( segid "B " and resid 21 and name HB1 ))
2.900 1.000 1.000 peak 846 weight 0.10000E+01 volume 0.70062E-03 ppm1 2.196 ppm2 1.818 CV 1
OR { 846}
(( segid "B " and resid 22 and name HG1 ))
(( segid "B " and resid 21 and name HB1 ))
OR { 846}
(( segid "B " and resid 22 and name HG1 ))
(( segid "B " and resid 25 and name HB2 ))
OR { 846}
(( segid "B " and resid 22 and name HG1 ))
(( segid "B " and resid 32 and name HB2 ))
OR { 846}
(( segid "B " and resid 22 and name HG2 ))
(( segid "B " and resid 25 and name HB2 ))
ASSI { 847}
(( segid "B " and resid 22 and name HG2 ))
(( segid "B " and resid 21 and name HD1 ))
2.500 2.500 3.500 peak 847 weight 0.10000E+01 volume 0.70062E-03 ppm1 2.183 ppm2 1.714 CV 1
OR { 847}
(( segid "B " and resid 22 and name HG1 ))
(( segid "B " and resid 21 and name HD1 ))
OR { 847}
(( segid "B " and resid 22 and name HG1 ))
(( segid "B " and resid 20 and name HG2 ))
ASSI { 848}
(( segid "B " and resid 21 and name HB1 ))
(( segid "B " and resid 21 and name HG2 ))
2.500 0.800 0.800 peak 848 weight 0.10000E+01 volume 0.90680E-02 ppm1 1.797 ppm2 1.348 CV 1
OR { 848}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 8 and name HG2 ))
OR { 848}
(( segid "A " and resid 9 and name HB1 ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 849}
(( segid "B " and resid 25 and name HB2 ))
(( segid "B " and resid 25 and name HG1 ))
2.400 0.700 0.700 peak 849 weight 0.10000E+01 volume 0.95684E-02 ppm1 1.801 ppm2 1.395 CV 1
OR { 849}
(( segid "B " and resid 21 and name HB1 ))
(( segid "B " and resid 21 and name HG2 ))
OR { 849}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 852}
(( segid "A " and resid 3 and name HB2 ))
(( segid "B " and resid 16 and name HG21))
3.900 1.900 1.900 peak 852 weight 0.10000E+01 volume 0.10409E-02 ppm1 1.722 ppm2 1.157 CV 1
OR { 852}
(( segid "B " and resid 12 and name HD2 ))
(( segid "B " and resid 16 and name HG21))
OR { 852}
(( segid "A " and resid 9 and name HB2 ))
( segid "B " and resid 15 and name HG1%)
OR { 852}
(( segid "A " and resid 3 and name HB2 ))
( segid "B " and resid 17 and name HG1%)
ASSI { 853}
(( segid "B " and resid 13 and name HG ))
( segid "B " and resid 17 and name HG1%)
3.700 1.700 1.700 peak 853 weight 0.10000E+01 volume 0.16214E-02 ppm1 1.568 ppm2 1.146 CV 1
OR { 853}
(( segid "A " and resid 3 and name HD1 ))
(( segid "B " and resid 16 and name HG21))
OR { 853}
(( segid "A " and resid 3 and name HD1 ))
( segid "B " and resid 17 and name HG1%)
ASSI { 855}
(( segid "A " and resid 11 and name HB1 ))
(( segid "A " and resid 3 and name HG2 ))
4.000 2.000 2.000 peak 855 weight 0.10000E+01 volume 0.78068E-03 ppm1 1.802 ppm2 1.091 CV 1
OR { 855}
(( segid "A " and resid 8 and name HB1 ))
(( segid "A " and resid 3 and name HG2 ))
ASSI { 857}
(( segid "A " and resid 3 and name HG2 ))
(( segid "B " and resid 17 and name HD11))
4.200 2.200 1.800 peak 857 weight 0.10000E+01 volume 0.88078E-03 ppm1 1.086 ppm2 0.908 CV 1
OR { 857}
(( segid "A " and resid 3 and name HG2 ))
( segid "A " and resid 4 and name HG2%)
ASSI { 864}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 12 and name HD2 ))
4.100 2.100 1.900 peak 864 weight 0.10000E+01 volume 0.72063E-03 ppm1 4.469 ppm2 1.699 CV 1
OR { 864}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 9 and name HB2 ))
OR { 864}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 8 and name HD2 ))
ASSI { 865}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 31 and name HB1 ))
3.500 1.600 1.600 peak 865 weight 0.10000E+01 volume 0.58051E-03 ppm1 4.157 ppm2 1.339 CV 1
OR { 865}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 34 and name HG1 ))
OR { 865}
(( segid "B " and resid 27 and name HA ))
(( segid "B " and resid 31 and name HB1 ))
OR { 865}
(( segid "B " and resid 34 and name HA ))
(( segid "B " and resid 34 and name HG1 ))
ASSI { 866}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 21 and name HA ))
3.800 1.800 1.800 peak 866 weight 0.10000E+01 volume 0.13412E-02 ppm1 4.710 ppm2 4.224 CV 1
OR { 866}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 9 and name HA ))
OR { 866}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 34 and name HA ))
OR { 866}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 32 and name HA ))
OR { 866}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 33 and name HA ))
ASSI { 25}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HA ))
2.400 0.700 0.700 peak 25 weight 0.10000E+01 volume 0.56352E-02 ppm1 8.276 ppm2 4.278 CV 1
ASSI { 34}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 22 and name HA ))
2.800 1.000 1.000 peak 34 weight 0.10000E+01 volume 0.80555E-02 ppm1 8.085 ppm2 4.214 CV 1
ASSI { 37}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 30 and name HA ))
2.500 0.800 0.800 peak 37 weight 0.10000E+01 volume 0.68273E-02 ppm1 8.016 ppm2 4.175 CV 1
ASSI { 46}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 20 and name HA ))
2.700 0.900 0.900 peak 46 weight 0.10000E+01 volume 0.55991E-02 ppm1 7.990 ppm2 4.245 CV 1
ASSI { 52}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 23 and name HB2 ))
3.800 1.800 1.800 peak 52 weight 0.10000E+01 volume 0.22036E-02 ppm1 8.191 ppm2 3.082 CV 1
ASSI { 55}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 26 and name HB1 ))
2.800 1.000 1.000 peak 55 weight 0.10000E+01 volume 0.43348E-02 ppm1 8.075 ppm2 3.175 CV 1
ASSI { 86}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 32 and name HB2 ))
2.500 0.800 0.800 peak 86 weight 0.10000E+01 volume 0.29621E-02 ppm1 8.001 ppm2 1.844 CV 1
ASSI { 106}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 25 and name HG1 ))
2.200 0.600 0.600 peak 106 weight 0.10000E+01 volume 0.49851E-02 ppm1 8.061 ppm2 1.413 CV 1
ASSI { 109}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 32 and name HB1 ))
3.100 1.200 1.200 peak 109 weight 0.10000E+01 volume 0.40819E-02 ppm1 8.018 ppm2 1.749 CV 1
ASSI { 113}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 9 and name HB1 ))
3.600 1.700 1.700 peak 113 weight 0.10000E+01 volume 0.21675E-02 ppm1 7.998 ppm2 1.810 CV 1
ASSI { 117}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 33 and name HB3 ))
2.200 0.600 0.600 peak 117 weight 0.10000E+01 volume 0.12571E-01 ppm1 8.006 ppm2 1.294 CV 1
OR { 117}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 33 and name HB1 ))
OR { 117}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 33 and name HB2 ))
ASSI { 144}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 31 and name HB2 ))
3.100 3.100 2.900 peak 144 weight 0.10000E+01 volume 0.28898E-02 ppm1 7.245 ppm2 1.374 CV 1
OR { 144}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 31 and name HB1 ))
ASSI { 156}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 27 and name HG2 ))
3.700 1.800 1.800 peak 156 weight 0.10000E+01 volume 0.23120E-02 ppm1 7.246 ppm2 2.258 CV 1
ASSI { 209}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 8 and name HN ))
2.400 0.700 0.700 peak 209 weight 0.10000E+01 volume 0.45153E-02 ppm1 8.126 ppm2 7.991 CV 1
ASSI { 211}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 33 and name HN ))
2.300 0.700 0.700 peak 211 weight 0.10000E+01 volume 0.64300E-02 ppm1 7.944 ppm2 8.012 CV 1
ASSI { 217}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 29 and name HN ))
2.500 0.800 0.800 peak 217 weight 0.10000E+01 volume 0.33955E-02 ppm1 8.063 ppm2 8.221 CV 1
ASSI { 335}
(( segid "A " and resid 3 and name HG2 ))
(( segid "B " and resid 17 and name HB ))
3.800 1.800 1.800 peak 335 weight 0.10000E+01 volume 0.90307E-03 ppm1 1.051 ppm2 1.800 CV 1
ASSI { 347}
(( segid "B " and resid 15 and name HG22))
(( segid "B " and resid 12 and name HE2 ))
2.400 2.400 3.600 peak 347 weight 0.10000E+01 volume 0.93921E-03 ppm1 0.834 ppm2 2.971 CV 1
OR { 347}
(( segid "B " and resid 15 and name HG23))
(( segid "B " and resid 12 and name HE2 ))
OR { 347}
(( segid "B " and resid 15 and name HG21))
(( segid "B " and resid 12 and name HE2 ))
ASSI { 361}
(( segid "B " and resid 17 and name HG23))
(( segid "B " and resid 19 and name HB2 ))
4.400 2.400 1.600 peak 361 weight 0.10000E+01 volume 0.11198E-02 ppm1 0.809 ppm2 2.768 CV 1
OR { 361}
(( segid "B " and resid 17 and name HG21))
(( segid "B " and resid 19 and name HB2 ))
OR { 361}
(( segid "B " and resid 17 and name HG22))
(( segid "B " and resid 19 and name HB2 ))
ASSI { 399}
(( segid "B " and resid 21 and name HD1 ))
(( segid "B " and resid 22 and name HB2 ))
4.400 2.400 1.600 peak 399 weight 0.10000E+01 volume 0.11198E-02 ppm1 1.679 ppm2 1.974 CV 1
ASSI { 402}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 23 and name HB1 ))
3.200 1.300 1.300 peak 402 weight 0.10000E+01 volume 0.14088E-02 ppm1 2.369 ppm2 3.166 CV 1
ASSI { 420}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 27 and name HG2 ))
4.100 2.100 1.900 peak 420 weight 0.10000E+01 volume 0.13727E-02 ppm1 7.344 ppm2 2.249 CV 1
ASSI { 433}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 27 and name HG1 ))
4.800 2.900 1.200 peak 433 weight 0.10000E+01 volume 0.11559E-02 ppm1 8.060 ppm2 2.386 CV 1
ASSI { 478}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 21 and name HB1 ))
3.900 1.900 1.900 peak 478 weight 0.10000E+01 volume 0.97533E-03 ppm1 8.500 ppm2 1.811 CV 1
ASSI { 500}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 3 and name HG2 ))
2.900 1.100 1.100 peak 500 weight 0.10000E+01 volume 0.79472E-03 ppm1 7.798 ppm2 1.063 CV 1
ASSI { 507}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 14 and name HG ))
3.100 1.200 1.200 peak 507 weight 0.10000E+01 volume 0.17700E-02 ppm1 7.900 ppm2 1.603 CV 1
OR { 507}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 14 and name HB2 ))
ASSI { 524}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 13 and name HA ))
3.600 1.600 1.600 peak 524 weight 0.10000E+01 volume 0.90307E-03 ppm1 8.012 ppm2 4.406 CV 1
ASSI { 153}
(( segid "A " and resid 2 and name HD1 ))
(( segid "A " and resid 1 and name HB2 ))
3.400 3.400 2.600 peak 153 weight 0.10000E+01 volume 0.25287E-02 ppm1 7.245 ppm2 1.906 CV 1
ASSI { 43}
(( segid "A " and resid 2 and name HN ))
(( segid "A " and resid 1 and name HA ))
2.700 0.900 0.900 peak 43 weight 0.10000E+01 volume 0.38652E-02 ppm1 7.830 ppm2 4.222 CV 1
ASSI { 431}
(( segid "A " and resid 2 and name HN ))
(( segid "A " and resid 1 and name HB2 ))
2.000 0.500 0.500 peak 431 weight 0.10000E+01 volume 0.10114E-02 ppm1 7.831 ppm2 1.900 CV 1
ASSI { 202}
(( segid "A " and resid 1 and name HT1 ))
(( segid "A " and resid 2 and name HN ))
3.500 1.500 1.500 peak 202 weight 0.10000E+01 volume 0.24925E-02 ppm1 8.204 ppm2 7.827 CV 1
ASSI { 313}
(( segid "A " and resid 2 and name HD1 ))
(( segid "A " and resid 2 and name HA ))
3.400 1.500 1.500 peak 313 weight 0.10000E+01 volume 0.23481E-02 ppm1 7.245 ppm2 4.627 CV 1
ASSI { 165}
(( segid "A " and resid 2 and name HD1 ))
(( segid "A " and resid 2 and name HB2 ))
2.600 2.600 3.400 peak 165 weight 0.10000E+01 volume 0.14124E-01 ppm1 7.246 ppm2 3.281 CV 1
ASSI { 231}
(( segid "A " and resid 2 and name HE1 ))
(( segid "A " and resid 2 and name HD1 ))
2.600 0.800 0.800 peak 231 weight 0.10000E+01 volume 0.70440E-02 ppm1 10.175 ppm2 7.243 CV 1
ASSI { 17}
(( segid "A " and resid 2 and name HN ))
(( segid "A " and resid 2 and name HA ))
2.400 0.700 0.700 peak 17 weight 0.10000E+01 volume 0.44070E-02 ppm1 7.824 ppm2 4.620 CV 1
ASSI { 65}
(( segid "A " and resid 2 and name HN ))
(( segid "A " and resid 2 and name HB2 ))
2.200 2.200 3.800 peak 65 weight 0.10000E+01 volume 0.83083E-02 ppm1 7.829 ppm2 3.281 CV 1
ASSI { 194}
(( segid "A " and resid 2 and name HN ))
(( segid "A " and resid 2 and name HD1 ))
2.700 2.700 3.300 peak 194 weight 0.10000E+01 volume 0.29621E-02 ppm1 7.830 ppm2 7.242 CV 1
ASSI { 230}
(( segid "A " and resid 2 and name HE1 ))
(( segid "A " and resid 2 and name HZ2 ))
3.000 1.100 1.100 peak 230 weight 0.10000E+01 volume 0.27092E-02 ppm1 10.175 ppm2 7.497 CV 1
ASSI { 193}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "A " and resid 2 and name HH2 ))
2.800 1.000 1.000 peak 193 weight 0.10000E+01 volume -0.11234E-01 ppm1 7.503 ppm2 7.241 CV 1
ASSI { 189}
(( segid "A " and resid 2 and name HH2 ))
(( segid "A " and resid 2 and name HZ3 ))
1.500 1.500 4.500 peak 189 weight 0.10000E+01 volume 0.51259E-01 ppm1 7.245 ppm2 7.127 CV 1
ASSI { 191}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "A " and resid 2 and name HZ3 ))
3.100 1.200 1.200 peak 191 weight 0.10000E+01 volume 0.33955E-02 ppm1 7.502 ppm2 7.128 CV 1
ASSI { 19}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 2 and name HA ))
2.700 0.900 0.900 peak 19 weight 0.10000E+01 volume 0.62853E-02 ppm1 7.697 ppm2 4.628 CV 1
ASSI { 157}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 2 and name HB2 ))
2.000 0.500 0.500 peak 157 weight 0.10000E+01 volume 0.27092E-02 ppm1 7.697 ppm2 3.282 CV 1
ASSI { 173}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 3 and name HA ))
2.300 0.600 0.600 peak 173 weight 0.10000E+01 volume 0.48765E-02 ppm1 7.693 ppm2 4.165 CV 1
ASSI { 349}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 3 and name HB2 ))
3.600 1.600 1.600 peak 349 weight 0.10000E+01 volume 0.12282E-02 ppm1 7.698 ppm2 1.673 CV 1
ASSI { 138}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 3 and name HD1 ))
3.000 3.000 3.000 peak 138 weight 0.10000E+01 volume 0.28176E-02 ppm1 7.698 ppm2 1.513 CV 1
ASSI { 332}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 3 and name HG2 ))
3.000 1.100 1.100 peak 332 weight 0.10000E+01 volume 0.14449E-02 ppm1 7.698 ppm2 1.054 CV 1
ASSI { 502}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 1 and name HA ))
5.000 3.100 1.000 peak 502 weight 0.10000E+01 volume 0.83083E-03 ppm1 7.799 ppm2 4.230 CV 1
ASSI { 287}
(( segid "A " and resid 2 and name HH2 ))
( segid "A " and resid 4 and name HG2%)
3.200 1.300 1.300 peak 287 weight 0.10000E+01 volume 0.16255E-02 ppm1 7.247 ppm2 0.924 CV 1
ASSI { 44}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 3 and name HA ))
2.300 2.300 3.700 peak 44 weight 0.10000E+01 volume 0.80194E-02 ppm1 7.801 ppm2 4.164 CV 1
ASSI { 348}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 3 and name HB2 ))
3.700 1.700 1.700 peak 348 weight 0.10000E+01 volume 0.11921E-02 ppm1 7.803 ppm2 1.676 CV 1
ASSI { 200}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 3 and name HN ))
1.600 0.300 0.600 peak 200 weight 0.10000E+01 volume 0.99338E-02 ppm1 7.802 ppm2 7.695 CV 1
ASSI { 342}
( segid "A " and resid 4 and name HG1%)
(( segid "A " and resid 4 and name HA ))
2.500 0.800 0.800 peak 342 weight 0.10000E+01 volume 0.37569E-02 ppm1 0.957 ppm2 4.012 CV 1
ASSI { 45}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 4 and name HA ))
1.900 1.900 4.100 peak 45 weight 0.10000E+01 volume 0.60686E-02 ppm1 7.803 ppm2 4.012 CV 1
ASSI { 88}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 4 and name HB ))
2.200 0.600 0.600 peak 88 weight 0.10000E+01 volume 0.39375E-02 ppm1 7.802 ppm2 2.058 CV 1
ASSI { 499}
(( segid "A " and resid 4 and name HN ))
( segid "A " and resid 4 and name HG2%)
2.200 2.200 3.800 peak 499 weight 0.10000E+01 volume 0.18784E-02 ppm1 7.802 ppm2 0.921 CV 1
ASSI { 137}
(( segid "A " and resid 4 and name HN ))
( segid "A " and resid 4 and name HG1%)
2.900 1.000 1.000 peak 137 weight 0.10000E+01 volume 0.59964E-02 ppm1 7.801 ppm2 0.955 CV 1
ASSI { 450}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 2 and name HB2 ))
2.400 2.400 3.600 peak 450 weight 0.10000E+01 volume 0.93921E-03 ppm1 8.258 ppm2 3.252 CV 1
ASSI { 41}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 5 and name HA1 ))
3.300 3.300 2.700 peak 41 weight 0.10000E+01 volume 0.44070E-02 ppm1 7.915 ppm2 3.898 CV 1
ASSI { 26}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 4 and name HA ))
1.900 1.900 4.100 peak 26 weight 0.10000E+01 volume 0.15533E-01 ppm1 8.258 ppm2 4.009 CV 1
ASSI { 72}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 4 and name HB ))
3.100 1.200 1.200 peak 72 weight 0.10000E+01 volume 0.24203E-02 ppm1 8.255 ppm2 2.064 CV 1
ASSI { 134}
(( segid "A " and resid 5 and name HN ))
( segid "A " and resid 4 and name HG2%)
2.300 0.700 0.700 peak 134 weight 0.10000E+01 volume 0.23842E-02 ppm1 8.261 ppm2 0.923 CV 1
ASSI { 338}
(( segid "A " and resid 5 and name HN ))
( segid "A " and resid 4 and name HG1%)
3.100 1.200 1.200 peak 338 weight 0.10000E+01 volume 0.97533E-03 ppm1 8.259 ppm2 0.951 CV 1
ASSI { 201}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 4 and name HN ))
2.600 0.800 0.800 peak 201 weight 0.10000E+01 volume 0.28537E-02 ppm1 8.258 ppm2 7.798 CV 1
ASSI { 27}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 5 and name HA1 ))
2.000 0.500 0.500 peak 27 weight 0.10000E+01 volume 0.93198E-02 ppm1 8.257 ppm2 3.906 CV 1
ASSI { 50}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 5 and name HA2 ))
2.500 0.800 0.800 peak 50 weight 0.10000E+01 volume 0.45153E-02 ppm1 8.258 ppm2 3.837 CV 1
ASSI { 269}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 4 and name HA ))
4.100 2.100 1.900 peak 269 weight 0.10000E+01 volume 0.90307E-03 ppm1 7.905 ppm2 4.011 CV 1
ASSI { 516}
(( segid "A " and resid 6 and name HN ))
( segid "A " and resid 4 and name HG2%)
3.800 1.800 1.800 peak 516 weight 0.10000E+01 volume 0.14811E-02 ppm1 7.916 ppm2 0.924 CV 1
ASSI { 227}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 4 and name HN ))
2.800 2.800 3.200 peak 227 weight 0.10000E+01 volume 0.30704E-02 ppm1 7.919 ppm2 7.800 CV 1
ASSI { 345}
(( segid "A " and resid 5 and name HA1 ))
(( segid "A " and resid 6 and name HN ))
3.100 1.200 1.200 peak 345 weight 0.10000E+01 volume 0.97533E-03 ppm1 3.904 ppm2 7.913 CV 1
ASSI { 49}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 5 and name HA2 ))
2.800 1.000 1.000 peak 49 weight 0.10000E+01 volume 0.44070E-02 ppm1 7.915 ppm2 3.844 CV 1
ASSI { 203}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 6 and name HN ))
2.300 0.700 0.700 peak 203 weight 0.10000E+01 volume 0.37208E-02 ppm1 8.258 ppm2 7.913 CV 1
ASSI { 188}
( segid "A " and resid 6 and name HE% )
( segid "A " and resid 6 and name HD% )
1.800 1.800 4.200 peak 188 weight 0.10000E+01 volume 0.45623E-01 ppm1 7.315 ppm2 7.091 CV 1
ASSI { 9}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 6 and name HA ))
2.300 0.600 0.600 peak 9 weight 0.10000E+01 volume 0.74413E-02 ppm1 7.913 ppm2 4.493 CV 1
ASSI { 64}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 6 and name HB2 ))
2.100 0.600 0.600 peak 64 weight 0.10000E+01 volume 0.10801E-01 ppm1 7.914 ppm2 2.969 CV 1
ASSI { 470}
(( segid "A " and resid 6 and name HN ))
( segid "A " and resid 6 and name HE% )
3.800 3.800 2.200 peak 470 weight 0.10000E+01 volume 0.14088E-02 ppm1 7.912 ppm2 7.362 CV 1
ASSI { 325}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 3 and name HE1 ))
3.900 3.900 2.100 peak 325 weight 0.10000E+01 volume 0.10476E-02 ppm1 7.219 ppm2 2.901 CV 1
ASSI { 47}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 3 and name HA ))
2.800 2.800 3.200 peak 47 weight 0.10000E+01 volume 0.52018E-02 ppm1 7.994 ppm2 4.174 CV 1
ASSI { 506}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 3 and name HD1 ))
4.900 3.000 1.100 peak 506 weight 0.10000E+01 volume 0.97533E-03 ppm1 7.987 ppm2 1.568 CV 1
ASSI { 520}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 4 and name HB ))
4.200 2.200 1.800 peak 520 weight 0.10000E+01 volume 0.79472E-03 ppm1 7.987 ppm2 2.062 CV 1
ASSI { 228}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 4 and name HN ))
2.900 1.100 1.100 peak 228 weight 0.10000E+01 volume 0.24564E-02 ppm1 7.998 ppm2 7.801 CV 1
ASSI { 449}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 7 and name HB1 ))
4.100 2.100 1.900 peak 449 weight 0.10000E+01 volume 0.10837E-02 ppm1 8.256 ppm2 3.125 CV 1
ASSI { 381}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 5 and name HA1 ))
4.000 2.000 2.000 peak 381 weight 0.10000E+01 volume 0.14088E-02 ppm1 2.966 ppm2 3.926 CV 1
ASSI { 380}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 5 and name HA2 ))
3.900 1.900 1.900 peak 380 weight 0.10000E+01 volume 0.15172E-02 ppm1 2.966 ppm2 3.844 CV 1
ASSI { 442}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 7 and name HB2 ))
3.400 1.500 1.500 peak 442 weight 0.10000E+01 volume 0.11198E-02 ppm1 8.261 ppm2 2.969 CV 1
ASSI { 252}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 7 and name HN ))
3.100 1.200 1.200 peak 252 weight 0.10000E+01 volume 0.17339E-02 ppm1 8.250 ppm2 8.021 CV 1
ASSI { 255}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 6 and name HN ))
1.900 0.400 0.400 peak 255 weight 0.10000E+01 volume 0.11812E-01 ppm1 7.984 ppm2 7.913 CV 1
ASSI { 416}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 7 and name HB1 ))
2.500 2.500 3.500 peak 416 weight 0.10000E+01 volume 0.30704E-02 ppm1 7.228 ppm2 3.097 CV 1
ASSI { 168}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 7 and name HB2 ))
2.600 0.900 0.900 peak 168 weight 0.10000E+01 volume 0.41181E-02 ppm1 7.224 ppm2 2.967 CV 1
ASSI { 419}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 7 and name HB1 ))
3.900 1.900 1.900 peak 419 weight 0.10000E+01 volume 0.15894E-02 ppm1 7.345 ppm2 3.053 CV 1
ASSI { 60}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 7 and name HB1 ))
3.200 1.300 1.300 peak 60 weight 0.10000E+01 volume 0.30704E-02 ppm1 7.992 ppm2 3.105 CV 1
ASSI { 61}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 7 and name HB2 ))
1.800 0.400 0.400 peak 61 weight 0.10000E+01 volume 0.93198E-02 ppm1 7.990 ppm2 2.966 CV 1
ASSI { 197}
(( segid "A " and resid 7 and name HN ))
( segid "A " and resid 7 and name HD% )
3.100 1.200 1.200 peak 197 weight 0.10000E+01 volume 0.21675E-02 ppm1 7.993 ppm2 7.221 CV 1
ASSI { 330}
( segid "A " and resid 8 and name HZ% )
( segid "A " and resid 4 and name HG2%)
2.500 2.500 3.500 peak 330 weight 0.10000E+01 volume 0.83083E-03 ppm1 7.490 ppm2 0.894 CV 1
ASSI { 480}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 8 and name HG2 ))
3.800 1.800 1.800 peak 480 weight 0.10000E+01 volume 0.83083E-03 ppm1 8.252 ppm2 1.329 CV 1
ASSI { 327}
( segid "A " and resid 8 and name HZ% )
(( segid "A " and resid 5 and name HA2 ))
3.500 1.500 1.500 peak 327 weight 0.10000E+01 volume 0.86695E-03 ppm1 7.489 ppm2 3.889 CV 1
ASSI { 213}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 8 and name HN ))
2.200 0.600 0.600 peak 213 weight 0.10000E+01 volume 0.55269E-02 ppm1 7.984 ppm2 8.065 CV 1
ASSI { 351}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 8 and name HD2 ))
3.500 1.600 1.600 peak 351 weight 0.10000E+01 volume 0.28176E-02 ppm1 4.210 ppm2 1.670 CV 1
ASSI { 114}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 8 and name HB2 ))
3.000 1.100 1.100 peak 114 weight 0.10000E+01 volume 0.48043E-02 ppm1 8.000 ppm2 1.775 CV 1
ASSI { 115}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 8 and name HD2 ))
2.400 0.700 0.700 peak 115 weight 0.10000E+01 volume 0.80916E-02 ppm1 7.998 ppm2 1.670 CV 1
ASSI { 116}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 8 and name HG2 ))
2.400 0.700 0.700 peak 116 weight 0.10000E+01 volume 0.24203E-02 ppm1 8.000 ppm2 1.368 CV 1
ASSI { 354}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 9 and name HD2 ))
3.800 1.800 1.800 peak 354 weight 0.10000E+01 volume 0.10837E-02 ppm1 7.912 ppm2 3.186 CV 1
ASSI { 33}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 8 and name HA ))
2.100 2.100 3.900 peak 33 weight 0.10000E+01 volume 0.12174E-01 ppm1 8.130 ppm2 4.207 CV 1
ASSI { 32}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 9 and name HA ))
2.600 0.800 0.800 peak 32 weight 0.10000E+01 volume 0.41181E-02 ppm1 8.130 ppm2 4.266 CV 1
ASSI { 99}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 9 and name HB1 ))
2.800 1.000 1.000 peak 99 weight 0.10000E+01 volume 0.40458E-02 ppm1 8.130 ppm2 1.733 CV 1
ASSI { 256}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 9 and name HG2 ))
2.000 0.500 0.500 peak 256 weight 0.10000E+01 volume 0.16292E-01 ppm1 8.131 ppm2 1.610 CV 1
ASSI { 459}
(( segid "A " and resid 10 and name HD21))
(( segid "A " and resid 7 and name HA ))
3.800 1.800 1.800 peak 459 weight 0.10000E+01 volume 0.31065E-02 ppm1 6.865 ppm2 4.534 CV 1
OR { 459}
(( segid "A " and resid 10 and name HD22))
(( segid "A " and resid 7 and name HA ))
ASSI { 249}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 8 and name HN ))
3.800 1.800 1.800 peak 249 weight 0.10000E+01 volume 0.11559E-02 ppm1 8.383 ppm2 8.016 CV 1
ASSI { 21}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 9 and name HA ))
2.700 0.900 0.900 peak 21 weight 0.10000E+01 volume 0.57074E-02 ppm1 8.376 ppm2 4.267 CV 1
ASSI { 490}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 10 and name HN ))
2.800 1.000 1.000 peak 490 weight 0.10000E+01 volume 0.16617E-02 ppm1 8.132 ppm2 8.378 CV 1
ASSI { 18}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 10 and name HA ))
2.700 0.900 0.900 peak 18 weight 0.10000E+01 volume 0.42264E-02 ppm1 8.384 ppm2 4.686 CV 1
ASSI { 439}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 10 and name HB2 ))
3.400 1.500 1.500 peak 439 weight 0.10000E+01 volume 0.15533E-02 ppm1 8.386 ppm2 2.616 CV 1
ASSI { 66}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 10 and name HB1 ))
2.600 0.800 0.800 peak 66 weight 0.10000E+01 volume 0.27454E-02 ppm1 8.372 ppm2 2.753 CV 1
ASSI { 162}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 11 and name HE ))
2.800 0.900 0.900 peak 162 weight 0.10000E+01 volume 0.30343E-02 ppm1 7.341 ppm2 3.181 CV 1
ASSI { 505}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 11 and name HB2 ))
4.100 2.100 1.900 peak 505 weight 0.10000E+01 volume 0.79472E-03 ppm1 7.989 ppm2 1.894 CV 1
ASSI { 491}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 11 and name HN ))
3.400 1.400 1.400 peak 491 weight 0.10000E+01 volume 0.15172E-02 ppm1 8.135 ppm2 8.330 CV 1
ASSI { 11}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 10 and name HA ))
3.100 1.200 1.200 peak 11 weight 0.10000E+01 volume 0.31427E-02 ppm1 8.274 ppm2 4.687 CV 1
ASSI { 71}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HB1 ))
3.100 1.200 1.200 peak 71 weight 0.10000E+01 volume 0.41542E-02 ppm1 8.274 ppm2 1.883 CV 1
ASSI { 257}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HE ))
3.400 1.500 1.500 peak 257 weight 0.10000E+01 volume 0.11921E-02 ppm1 8.286 ppm2 3.181 CV 1
ASSI { 238}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 12 and name HA ))
3.200 1.300 1.300 peak 238 weight 0.10000E+01 volume 0.22036E-02 ppm1 8.590 ppm2 4.012 CV 1
ASSI { 242}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 13 and name HB2 ))
2.600 0.900 0.900 peak 242 weight 0.10000E+01 volume 0.13004E-02 ppm1 8.595 ppm2 1.596 CV 1
ASSI { 462}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 13 and name HD11))
4.100 2.100 1.900 peak 462 weight 0.10000E+01 volume 0.86695E-03 ppm1 8.601 ppm2 0.935 CV 1
OR { 462}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 13 and name HD12))
OR { 462}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 13 and name HD13))
ASSI { 260}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 12 and name HA ))
3.400 1.400 1.400 peak 260 weight 0.10000E+01 volume 0.79472E-03 ppm1 8.393 ppm2 4.013 CV 1
ASSI { 183}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 13 and name HA ))
2.200 0.600 0.600 peak 183 weight 0.10000E+01 volume 0.59603E-02 ppm1 8.398 ppm2 4.432 CV 1
ASSI { 471}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 14 and name HA ))
3.300 1.300 1.300 peak 471 weight 0.10000E+01 volume 0.86695E-03 ppm1 8.392 ppm2 4.411 CV 1
ASSI { 147}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 15 and name HA ))
3.200 1.300 1.300 peak 147 weight 0.10000E+01 volume 0.46237E-02 ppm1 8.382 ppm2 4.177 CV 1
ASSI { 133}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 15 and name HG22))
3.600 1.600 1.600 peak 133 weight 0.10000E+01 volume 0.39736E-02 ppm1 8.385 ppm2 0.863 CV 1
OR { 133}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 15 and name HG23))
OR { 133}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 15 and name HG21))
ASSI { 5}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 14 and name HA ))
3.000 1.100 1.100 peak 5 weight 0.10000E+01 volume 0.33233E-02 ppm1 8.073 ppm2 4.436 CV 1
ASSI { 515}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 14 and name HD21))
3.900 1.900 1.900 peak 515 weight 0.10000E+01 volume 0.72246E-03 ppm1 7.902 ppm2 0.892 CV 1
OR { 515}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 14 and name HD23))
ASSI { 222}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 14 and name HN ))
2.200 0.600 0.600 peak 222 weight 0.10000E+01 volume 0.26009E-02 ppm1 8.074 ppm2 8.403 CV 1
ASSI { 130}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 15 and name HB ))
2.900 1.100 1.100 peak 130 weight 0.10000E+01 volume 0.21675E-02 ppm1 7.897 ppm2 1.815 CV 1
ASSI { 512}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 15 and name HD13))
3.900 1.900 1.900 peak 512 weight 0.10000E+01 volume 0.13366E-02 ppm1 7.898 ppm2 0.834 CV 1
OR { 512}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 15 and name HD12))
OR { 512}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 15 and name HD11))
ASSI { 510}
(( segid "B " and resid 15 and name HN ))
( segid "B " and resid 15 and name HG1%)
4.200 2.200 1.800 peak 510 weight 0.10000E+01 volume 0.90307E-03 ppm1 7.898 ppm2 1.139 CV 1
ASSI { 136}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 15 and name HG22))
2.600 0.900 0.900 peak 136 weight 0.10000E+01 volume 0.29260E-02 ppm1 7.898 ppm2 0.865 CV 1
OR { 136}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 15 and name HG23))
OR { 136}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 15 and name HG21))
ASSI { 307}
(( segid "B " and resid 13 and name HB2 ))
(( segid "B " and resid 16 and name HG22))
3.900 1.900 1.900 peak 307 weight 0.10000E+01 volume 0.17700E-02 ppm1 1.610 ppm2 1.119 CV 1
OR { 307}
(( segid "B " and resid 13 and name HB2 ))
(( segid "B " and resid 16 and name HG23))
OR { 307}
(( segid "B " and resid 13 and name HB2 ))
(( segid "B " and resid 16 and name HG21))
ASSI { 467}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 14 and name HN ))
4.000 2.000 2.000 peak 467 weight 0.10000E+01 volume 0.86695E-03 ppm1 8.277 ppm2 8.387 CV 1
ASSI { 511}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 16 and name HG22))
4.400 2.400 1.600 peak 511 weight 0.10000E+01 volume 0.93921E-03 ppm1 7.906 ppm2 1.109 CV 1
OR { 511}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 16 and name HG23))
OR { 511}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 16 and name HG21))
ASSI { 245}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 16 and name HA ))
2.700 0.900 0.900 peak 245 weight 0.10000E+01 volume 0.20950E-02 ppm1 8.274 ppm2 4.382 CV 1
ASSI { 456}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 16 and name HG22))
3.800 1.800 1.800 peak 456 weight 0.10000E+01 volume 0.10837E-02 ppm1 8.281 ppm2 1.117 CV 1
OR { 456}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 16 and name HG21))
OR { 456}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 16 and name HG23))
ASSI { 2}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 16 and name HA ))
2.400 2.400 3.600 peak 2 weight 0.10000E+01 volume 0.49851E-02 ppm1 8.097 ppm2 4.383 CV 1
ASSI { 308}
(( segid "B " and resid 17 and name HB ))
( segid "B " and resid 17 and name HG1%)
3.000 1.100 1.100 peak 308 weight 0.10000E+01 volume 0.18784E-02 ppm1 1.846 ppm2 1.116 CV 1
ASSI { 151}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 17 and name HA ))
2.700 0.900 0.900 peak 151 weight 0.10000E+01 volume 0.21675E-02 ppm1 8.099 ppm2 4.122 CV 1
ASSI { 464}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 17 and name HD11))
4.500 2.500 1.500 peak 464 weight 0.10000E+01 volume 0.11559E-02 ppm1 8.090 ppm2 0.882 CV 1
OR { 464}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 17 and name HD13))
OR { 464}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 17 and name HD12))
ASSI { 465}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 17 and name HG21))
2.600 0.900 0.900 peak 465 weight 0.10000E+01 volume 0.11198E-02 ppm1 8.093 ppm2 0.844 CV 1
OR { 465}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 17 and name HG23))
OR { 465}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 17 and name HG22))
ASSI { 279}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 14 and name HD22))
2.300 2.300 3.700 peak 279 weight 0.10000E+01 volume 0.12282E-02 ppm1 7.295 ppm2 0.925 CV 1
OR { 279}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 14 and name HD23))
OR { 279}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 14 and name HD21))
ASSI { 282}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HG22))
2.200 2.200 3.800 peak 282 weight 0.10000E+01 volume 0.14811E-02 ppm1 7.290 ppm2 0.868 CV 1
OR { 282}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HG23))
OR { 282}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HG21))
ASSI { 283}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 17 and name HG23))
3.800 1.800 1.800 peak 283 weight 0.10000E+01 volume 0.15894E-02 ppm1 7.290 ppm2 0.817 CV 1
ASSI { 236}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 17 and name HA ))
3.100 1.200 1.200 peak 236 weight 0.10000E+01 volume 0.18784E-02 ppm1 8.506 ppm2 4.115 CV 1
ASSI { 243}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 17 and name HG23))
2.400 0.700 0.700 peak 243 weight 0.10000E+01 volume 0.16617E-02 ppm1 8.511 ppm2 0.844 CV 1
OR { 243}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 17 and name HG21))
OR { 243}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 17 and name HG22))
ASSI { 261}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 18 and name HN ))
2.800 1.000 1.000 peak 261 weight 0.10000E+01 volume 0.10837E-02 ppm1 8.100 ppm2 8.501 CV 1
ASSI { 473}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 18 and name HB1 ))
2.900 1.100 1.100 peak 473 weight 0.10000E+01 volume 0.90307E-03 ppm1 8.507 ppm2 3.233 CV 1
ASSI { 474}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 18 and name HB2 ))
3.100 1.200 1.200 peak 474 weight 0.10000E+01 volume 0.90307E-03 ppm1 8.500 ppm2 3.157 CV 1
ASSI { 367}
(( segid "B " and resid 15 and name HB ))
(( segid "B " and resid 19 and name HB1 ))
5.100 3.200 0.900 peak 367 weight 0.10000E+01 volume 0.11559E-02 ppm1 1.810 ppm2 2.696 CV 1
ASSI { 358}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 19 and name HB2 ))
4.100 2.100 1.900 peak 358 weight 0.10000E+01 volume 0.79472E-03 ppm1 7.900 ppm2 2.754 CV 1
ASSI { 477}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 19 and name HB1 ))
4.100 2.100 1.900 peak 477 weight 0.10000E+01 volume 0.79472E-03 ppm1 8.506 ppm2 2.689 CV 1
ASSI { 235}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 18 and name HA ))
3.100 1.200 1.200 peak 235 weight 0.10000E+01 volume 0.17700E-02 ppm1 8.244 ppm2 4.698 CV 1
ASSI { 14}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 19 and name HA ))
2.800 1.000 1.000 peak 14 weight 0.10000E+01 volume 0.35763E-02 ppm1 8.253 ppm2 4.598 CV 1
ASSI { 67}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 19 and name HB2 ))
2.800 1.000 1.000 peak 67 weight 0.10000E+01 volume 0.20950E-02 ppm1 8.255 ppm2 2.689 CV 1
ASSI { 310}
(( segid "B " and resid 16 and name HG22))
(( segid "B " and resid 20 and name HD2 ))
3.800 3.800 2.200 peak 310 weight 0.10000E+01 volume 0.10114E-02 ppm1 1.122 ppm2 3.185 CV 1
OR { 310}
(( segid "B " and resid 16 and name HG21))
(( segid "B " and resid 20 and name HD2 ))
OR { 310}
(( segid "B " and resid 16 and name HG23))
(( segid "B " and resid 20 and name HD2 ))
ASSI { 357}
(( segid "B " and resid 17 and name HD12))
(( segid "B " and resid 20 and name HD2 ))
3.100 1.200 1.200 peak 357 weight 0.10000E+01 volume 0.14811E-02 ppm1 0.784 ppm2 3.189 CV 1
OR { 357}
(( segid "B " and resid 17 and name HD11))
(( segid "B " and resid 20 and name HD2 ))
ASSI { 13}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 19 and name HA ))
3.100 1.200 1.200 peak 13 weight 0.10000E+01 volume 0.22758E-02 ppm1 8.305 ppm2 4.599 CV 1
ASSI { 443}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 19 and name HB2 ))
4.200 2.200 1.800 peak 443 weight 0.10000E+01 volume 0.10114E-02 ppm1 8.233 ppm2 2.784 CV 1
ASSI { 207}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 19 and name HN ))
2.700 0.900 0.900 peak 207 weight 0.10000E+01 volume 0.35038E-02 ppm1 8.232 ppm2 8.129 CV 1
ASSI { 154}
(( segid "B " and resid 20 and name HH21))
(( segid "B " and resid 20 and name HB2 ))
3.400 1.400 1.400 peak 154 weight 0.10000E+01 volume 0.21675E-02 ppm1 7.246 ppm2 1.963 CV 1
ASSI { 28}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 20 and name HA ))
2.600 0.800 0.800 peak 28 weight 0.10000E+01 volume 0.26731E-02 ppm1 8.234 ppm2 4.251 CV 1
ASSI { 96}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 20 and name HG1 ))
2.600 0.900 0.900 peak 96 weight 0.10000E+01 volume 0.22758E-02 ppm1 8.234 ppm2 1.627 CV 1
ASSI { 365}
(( segid "B " and resid 21 and name HB1 ))
(( segid "B " and resid 19 and name HB2 ))
3.900 3.900 2.100 peak 365 weight 0.10000E+01 volume 0.15533E-02 ppm1 1.796 ppm2 2.782 CV 1
ASSI { 95}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 21 and name HB1 ))
3.500 1.500 1.500 peak 95 weight 0.10000E+01 volume 0.28176E-02 ppm1 8.235 ppm2 1.798 CV 1
ASSI { 24}
(( segid "B " and resid 21 and name HN ))
(( segid "B " and resid 20 and name HA ))
2.500 0.800 0.800 peak 24 weight 0.10000E+01 volume 0.40819E-02 ppm1 8.339 ppm2 4.251 CV 1
ASSI { 411}
(( segid "B " and resid 21 and name HG2 ))
(( segid "B " and resid 21 and name HA ))
2.300 0.600 0.600 peak 411 weight 0.10000E+01 volume 0.11415E-01 ppm1 1.376 ppm2 4.226 CV 1
ASSI { 23}
(( segid "B " and resid 21 and name HN ))
(( segid "B " and resid 21 and name HA ))
2.600 0.900 0.900 peak 23 weight 0.10000E+01 volume 0.49851E-02 ppm1 8.340 ppm2 4.220 CV 1
ASSI { 90}
(( segid "B " and resid 21 and name HN ))
(( segid "B " and resid 21 and name HB1 ))
2.500 0.800 0.800 peak 90 weight 0.10000E+01 volume 0.57074E-02 ppm1 8.337 ppm2 1.796 CV 1
ASSI { 92}
(( segid "B " and resid 21 and name HN ))
(( segid "B " and resid 21 and name HG2 ))
3.600 1.600 1.600 peak 92 weight 0.10000E+01 volume 0.21675E-02 ppm1 8.341 ppm2 1.384 CV 1
ASSI { 400}
(( segid "B " and resid 21 and name HB1 ))
(( segid "B " and resid 22 and name HG2 ))
4.100 2.100 1.900 peak 400 weight 0.10000E+01 volume 0.12282E-02 ppm1 1.791 ppm2 2.187 CV 1
ASSI { 378}
(( segid "B " and resid 21 and name HD1 ))
(( segid "B " and resid 22 and name HG2 ))
3.500 1.600 1.600 peak 378 weight 0.10000E+01 volume 0.15533E-02 ppm1 1.680 ppm2 2.155 CV 1
ASSI { 93}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 21 and name HB1 ))
3.000 1.200 1.200 peak 93 weight 0.10000E+01 volume 0.42625E-02 ppm1 8.264 ppm2 1.792 CV 1
ASSI { 94}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 21 and name HG2 ))
3.000 1.100 1.100 peak 94 weight 0.10000E+01 volume 0.22758E-02 ppm1 8.262 ppm2 1.372 CV 1
ASSI { 70}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 22 and name HB2 ))
3.500 1.600 1.600 peak 70 weight 0.10000E+01 volume 0.24203E-02 ppm1 8.267 ppm2 1.971 CV 1
ASSI { 438}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 22 and name HG1 ))
2.600 0.900 0.900 peak 438 weight 0.10000E+01 volume 0.16617E-02 ppm1 8.264 ppm2 2.254 CV 1
ASSI { 437}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 22 and name HG2 ))
3.200 1.300 1.300 peak 437 weight 0.10000E+01 volume 0.14088E-02 ppm1 8.263 ppm2 2.179 CV 1
ASSI { 100}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 21 and name HB1 ))
1.900 1.900 4.100 peak 100 weight 0.10000E+01 volume 0.34677E-02 ppm1 8.090 ppm2 1.802 CV 1
ASSI { 251}
(( segid "B " and resid 21 and name HN ))
(( segid "B " and resid 23 and name HN ))
4.300 2.300 1.700 peak 251 weight 0.10000E+01 volume 0.13727E-02 ppm1 8.337 ppm2 8.090 CV 1
ASSI { 370}
(( segid "B " and resid 22 and name HB2 ))
(( segid "B " and resid 23 and name HB1 ))
4.400 2.400 1.600 peak 370 weight 0.10000E+01 volume 0.16255E-02 ppm1 1.969 ppm2 3.190 CV 1
ASSI { 448}
(( segid "B " and resid 22 and name HN ))
(( segid "B " and resid 23 and name HB2 ))
4.500 2.500 1.500 peak 448 weight 0.10000E+01 volume 0.13004E-02 ppm1 8.262 ppm2 3.058 CV 1
ASSI { 219}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 22 and name HN ))
3.300 1.400 1.400 peak 219 weight 0.10000E+01 volume 0.37930E-02 ppm1 8.091 ppm2 8.265 CV 1
ASSI { 167}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 23 and name HB2 ))
2.600 2.600 3.400 peak 167 weight 0.10000E+01 volume 0.51657E-02 ppm1 7.244 ppm2 3.065 CV 1
ASSI { 3}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 23 and name HA ))
2.500 0.800 0.800 peak 3 weight 0.10000E+01 volume 0.34316E-02 ppm1 8.086 ppm2 4.544 CV 1
ASSI { 54}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 23 and name HB2 ))
2.400 0.700 0.700 peak 54 weight 0.10000E+01 volume 0.34316E-02 ppm1 8.084 ppm2 3.057 CV 1
ASSI { 118}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 24 and name HB3 ))
2.100 0.600 0.600 peak 118 weight 0.10000E+01 volume 0.12788E-01 ppm1 7.995 ppm2 1.419 CV 1
OR { 118}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 24 and name HB1 ))
OR { 118}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 24 and name HB2 ))
ASSI { 397}
(( segid "B " and resid 25 and name HD2 ))
(( segid "B " and resid 22 and name HG1 ))
3.700 3.700 2.300 peak 397 weight 0.10000E+01 volume 0.15894E-02 ppm1 1.625 ppm2 2.246 CV 1
ASSI { 53}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 23 and name HB1 ))
3.000 1.100 1.100 peak 53 weight 0.10000E+01 volume 0.32510E-02 ppm1 8.191 ppm2 3.158 CV 1
ASSI { 208}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 24 and name HN ))
2.500 0.800 0.800 peak 208 weight 0.10000E+01 volume 0.31788E-02 ppm1 8.192 ppm2 8.018 CV 1
ASSI { 423}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 25 and name HB2 ))
3.400 3.400 2.600 peak 423 weight 0.10000E+01 volume 0.11921E-02 ppm1 7.343 ppm2 1.790 CV 1
ASSI { 163}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 26 and name HB1 ))
3.800 1.800 1.800 peak 163 weight 0.10000E+01 volume 0.22036E-02 ppm1 7.338 ppm2 3.155 CV 1
ASSI { 4}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 26 and name HA ))
2.600 0.900 0.900 peak 4 weight 0.10000E+01 volume 0.41542E-02 ppm1 8.079 ppm2 4.567 CV 1
ASSI { 198}
(( segid "B " and resid 26 and name HN ))
( segid "B " and resid 26 and name HD% )
2.800 1.000 1.000 peak 198 weight 0.10000E+01 volume 0.22397E-02 ppm1 8.066 ppm2 7.242 CV 1
ASSI { 375}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 23 and name HB2 ))
3.600 1.600 1.600 peak 375 weight 0.10000E+01 volume 0.13004E-02 ppm1 2.259 ppm2 3.064 CV 1
ASSI { 393}
(( segid "B " and resid 24 and name HB1 ))
(( segid "B " and resid 27 and name HG2 ))
4.600 2.700 1.400 peak 393 weight 0.10000E+01 volume 0.16978E-02 ppm1 1.420 ppm2 2.259 CV 1
OR { 393}
(( segid "B " and resid 24 and name HB2 ))
(( segid "B " and resid 27 and name HG2 ))
OR { 393}
(( segid "B " and resid 24 and name HB3 ))
(( segid "B " and resid 27 and name HG2 ))
ASSI { 436}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 27 and name HG2 ))
4.600 2.700 1.400 peak 436 weight 0.10000E+01 volume 0.93921E-03 ppm1 8.000 ppm2 2.237 CV 1
ASSI { 425}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 27 and name HB2 ))
3.900 3.900 2.100 peak 425 weight 0.10000E+01 volume 0.11198E-02 ppm1 7.338 ppm2 2.039 CV 1
ASSI { 435}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 27 and name HG2 ))
4.200 2.200 1.800 peak 435 weight 0.10000E+01 volume 0.10114E-02 ppm1 8.073 ppm2 2.260 CV 1
ASSI { 1}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 26 and name HA ))
2.600 0.900 0.900 peak 1 weight 0.10000E+01 volume 0.43348E-02 ppm1 8.190 ppm2 4.535 CV 1
ASSI { 199}
(( segid "B " and resid 27 and name HN ))
( segid "B " and resid 26 and name HD% )
3.100 1.200 1.200 peak 199 weight 0.10000E+01 volume 0.26731E-02 ppm1 8.189 ppm2 7.238 CV 1
ASSI { 80}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 27 and name HB1 ))
3.200 1.300 1.300 peak 80 weight 0.10000E+01 volume 0.46598E-02 ppm1 8.191 ppm2 1.945 CV 1
ASSI { 79}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 27 and name HB2 ))
2.000 0.500 0.500 peak 79 weight 0.10000E+01 volume 0.74413E-02 ppm1 8.187 ppm2 2.023 CV 1
ASSI { 78}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 27 and name HG2 ))
3.000 1.100 1.100 peak 78 weight 0.10000E+01 volume 0.45515E-02 ppm1 8.191 ppm2 2.254 CV 1
ASSI { 391}
(( segid "B " and resid 24 and name HB2 ))
(( segid "B " and resid 28 and name HB2 ))
3.600 1.600 1.600 peak 391 weight 0.10000E+01 volume 0.18423E-02 ppm1 1.415 ppm2 2.084 CV 1
OR { 391}
(( segid "B " and resid 24 and name HB1 ))
(( segid "B " and resid 28 and name HB2 ))
OR { 391}
(( segid "B " and resid 24 and name HB3 ))
(( segid "B " and resid 28 and name HB2 ))
ASSI { 51}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 26 and name HB1 ))
3.700 1.700 1.700 peak 51 weight 0.10000E+01 volume 0.23481E-02 ppm1 8.221 ppm2 3.164 CV 1
ASSI { 82}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 28 and name HB2 ))
2.500 0.800 0.800 peak 82 weight 0.10000E+01 volume 0.37569E-02 ppm1 8.176 ppm2 2.086 CV 1
ASSI { 81}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 28 and name HG2 ))
2.700 0.900 0.900 peak 81 weight 0.10000E+01 volume 0.26370E-02 ppm1 8.180 ppm2 2.332 CV 1
ASSI { 306}
(( segid "B " and resid 26 and name HB1 ))
(( segid "B " and resid 29 and name HB2 ))
3.000 3.000 3.000 peak 306 weight 0.10000E+01 volume 0.24203E-02 ppm1 3.165 ppm2 2.047 CV 1
ASSI { 73}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 28 and name HB2 ))
2.900 1.100 1.100 peak 73 weight 0.10000E+01 volume 0.31788E-02 ppm1 8.223 ppm2 2.082 CV 1
ASSI { 74}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 28 and name HG2 ))
3.700 1.700 1.700 peak 74 weight 0.10000E+01 volume 0.22758E-02 ppm1 8.222 ppm2 2.323 CV 1
ASSI { 75}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 29 and name HB2 ))
2.300 0.700 0.700 peak 75 weight 0.10000E+01 volume 0.58880E-02 ppm1 8.221 ppm2 2.042 CV 1
ASSI { 394}
(( segid "B " and resid 30 and name HG2 ))
(( segid "B " and resid 27 and name HG2 ))
4.200 2.200 1.800 peak 394 weight 0.10000E+01 volume 0.11921E-02 ppm1 1.566 ppm2 2.250 CV 1
ASSI { 84}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 29 and name HB2 ))
2.500 0.800 0.800 peak 84 weight 0.10000E+01 volume 0.29621E-02 ppm1 8.066 ppm2 2.029 CV 1
ASSI { 434}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 29 and name HG2 ))
4.000 2.000 2.000 peak 434 weight 0.10000E+01 volume 0.14449E-02 ppm1 8.063 ppm2 2.332 CV 1
ASSI { 155}
(( segid "B " and resid 30 and name HH21))
(( segid "B " and resid 30 and name HB2 ))
3.400 1.400 1.400 peak 155 weight 0.10000E+01 volume 0.24203E-02 ppm1 7.245 ppm2 1.748 CV 1
ASSI { 101}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 30 and name HG2 ))
3.200 1.300 1.300 peak 101 weight 0.10000E+01 volume 0.29621E-02 ppm1 8.070 ppm2 1.607 CV 1
ASSI { 392}
(( segid "B " and resid 31 and name HB2 ))
(( segid "B " and resid 27 and name HG2 ))
2.700 0.900 0.900 peak 392 weight 0.10000E+01 volume 0.18062E-02 ppm1 1.373 ppm2 2.256 CV 1
OR { 392}
(( segid "B " and resid 31 and name HB1 ))
(( segid "B " and resid 27 and name HG2 ))
OR { 392}
(( segid "B " and resid 31 and name HB3 ))
(( segid "B " and resid 27 and name HG2 ))
ASSI { 412}
(( segid "B " and resid 31 and name HB1 ))
(( segid "B " and resid 31 and name HA ))
2.300 0.700 0.700 peak 412 weight 0.10000E+01 volume 0.65022E-02 ppm1 1.369 ppm2 4.181 CV 1
OR { 412}
(( segid "B " and resid 31 and name HB3 ))
(( segid "B " and resid 31 and name HA ))
OR { 412}
(( segid "B " and resid 31 and name HB2 ))
(( segid "B " and resid 31 and name HA ))
ASSI { 107}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 31 and name HB3 ))
2.100 0.600 0.600 peak 107 weight 0.10000E+01 volume 0.11451E-01 ppm1 8.064 ppm2 1.372 CV 1
OR { 107}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 31 and name HB2 ))
OR { 107}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 31 and name HB1 ))
ASSI { 390}
(( segid "B " and resid 32 and name HB2 ))
(( segid "B " and resid 28 and name HB2 ))
2.300 2.300 3.700 peak 390 weight 0.10000E+01 volume 0.13004E-02 ppm1 1.829 ppm2 2.090 CV 1
ASSI { 432}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 29 and name HB2 ))
2.300 2.300 3.700 peak 432 weight 0.10000E+01 volume 0.11559E-02 ppm1 7.945 ppm2 2.042 CV 1
ASSI { 454}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 30 and name HD2 ))
4.100 2.100 1.900 peak 454 weight 0.10000E+01 volume 0.90307E-03 ppm1 7.936 ppm2 3.080 CV 1
ASSI { 126}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 31 and name HB2 ))
2.700 0.900 0.900 peak 126 weight 0.10000E+01 volume 0.53101E-02 ppm1 7.939 ppm2 1.417 CV 1
OR { 126}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 31 and name HB3 ))
OR { 126}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 31 and name HB1 ))
ASSI { 87}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 32 and name HB2 ))
3.100 1.200 1.200 peak 87 weight 0.10000E+01 volume 0.21314E-02 ppm1 7.942 ppm2 1.854 CV 1
ASSI { 124}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 32 and name HB1 ))
2.400 0.700 0.700 peak 124 weight 0.10000E+01 volume 0.44431E-02 ppm1 7.938 ppm2 1.753 CV 1
ASSI { 125}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 32 and name HG2 ))
3.700 1.700 1.700 peak 125 weight 0.10000E+01 volume 0.24203E-02 ppm1 7.939 ppm2 1.666 CV 1
ASSI { 111}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 30 and name HG2 ))
3.400 3.400 2.600 peak 111 weight 0.10000E+01 volume 0.23842E-02 ppm1 8.012 ppm2 1.596 CV 1
ASSI { 108}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 34 and name HG1 ))
3.200 3.200 2.800 peak 108 weight 0.10000E+01 volume 0.24564E-02 ppm1 8.068 ppm2 1.294 CV 1
ASSI { 129}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 34 and name HD2 ))
3.500 1.500 1.500 peak 129 weight 0.10000E+01 volume 0.23481E-02 ppm1 7.936 ppm2 1.610 CV 1
ASSI { 408}
(( segid "B " and resid 32 and name HD2 ))
(( segid "B " and resid 34 and name HG1 ))
3.500 1.500 1.500 peak 408 weight 0.10000E+01 volume 0.16255E-02 ppm1 3.164 ppm2 1.293 CV 1
ASSI { 128}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 34 and name HG1 ))
2.800 1.000 1.000 peak 128 weight 0.10000E+01 volume 0.28176E-02 ppm1 7.935 ppm2 1.296 CV 1
ASSI { 57}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 32 and name HD2 ))
2.800 2.800 3.200 peak 57 weight 0.10000E+01 volume 0.28537E-02 ppm1 8.020 ppm2 3.173 CV 1
ASSI { 123}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 31 and name HB2 ))
3.100 3.100 2.900 peak 123 weight 0.10000E+01 volume 0.30704E-02 ppm1 7.970 ppm2 1.371 CV 1
OR { 123}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 31 and name HB1 ))
ASSI { 329}
(( segid "B " and resid 35 and name HZ2 ))
(( segid "B " and resid 32 and name HA ))
3.900 1.900 1.900 peak 329 weight 0.10000E+01 volume 0.83083E-03 ppm1 7.492 ppm2 4.212 CV 1
ASSI { 141}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 34 and name HG1 ))
3.400 3.400 2.600 peak 141 weight 0.10000E+01 volume 0.24203E-02 ppm1 7.251 ppm2 1.294 CV 1
ASSI { 120}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 34 and name HB2 ))
2.300 0.700 0.700 peak 120 weight 0.10000E+01 volume 0.58158E-02 ppm1 7.981 ppm2 1.715 CV 1
ASSI { 121}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 34 and name HD2 ))
1.900 1.900 4.100 peak 121 weight 0.10000E+01 volume 0.34677E-02 ppm1 7.987 ppm2 1.612 CV 1
ASSI { 122}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 34 and name HG1 ))
3.200 1.300 1.300 peak 122 weight 0.10000E+01 volume 0.29621E-02 ppm1 7.979 ppm2 1.332 CV 1
ASSI { 427}
(( segid "B " and resid 35 and name HZ2 ))
(( segid "B " and resid 34 and name HG1 ))
3.500 1.600 1.600 peak 427 weight 0.10000E+01 volume 0.97533E-03 ppm1 7.505 ppm2 1.287 CV 1
ASSI { 164}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 35 and name HB2 ))
2.300 0.700 0.700 peak 164 weight 0.10000E+01 volume 0.55269E-02 ppm1 7.253 ppm2 3.318 CV 1
ASSI { 233}
(( segid "B " and resid 35 and name HE1 ))
(( segid "B " and resid 35 and name HA ))
4.000 2.000 2.000 peak 233 weight 0.10000E+01 volume 0.11921E-02 ppm1 10.099 ppm2 4.689 CV 1
ASSI { 234}
(( segid "B " and resid 35 and name HE1 ))
(( segid "B " and resid 35 and name HB2 ))
3.900 1.900 1.900 peak 234 weight 0.10000E+01 volume 0.15533E-02 ppm1 10.101 ppm2 3.317 CV 1
ASSI { 232}
(( segid "B " and resid 35 and name HE1 ))
(( segid "B " and resid 35 and name HD1 ))
2.300 0.700 0.700 peak 232 weight 0.10000E+01 volume 0.71885E-02 ppm1 10.099 ppm2 7.252 CV 1
ASSI { 20}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 35 and name HA ))
2.600 0.900 0.900 peak 20 weight 0.10000E+01 volume 0.38652E-02 ppm1 7.650 ppm2 4.692 CV 1
ASSI { 159}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 35 and name HB2 ))
3.800 1.800 1.800 peak 159 weight 0.10000E+01 volume 0.23120E-02 ppm1 7.650 ppm2 3.276 CV 1
ASSI { 186}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 35 and name HH2 ))
3.600 1.600 1.600 peak 186 weight 0.10000E+01 volume 0.26370E-02 ppm1 7.652 ppm2 7.242 CV 1
ASSI { 16}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 35 and name HA ))
2.600 0.900 0.900 peak 16 weight 0.10000E+01 volume 0.45153E-02 ppm1 7.979 ppm2 4.690 CV 1
ASSI { 62}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 35 and name HB2 ))
2.600 0.800 0.800 peak 62 weight 0.10000E+01 volume 0.39736E-02 ppm1 7.982 ppm2 3.317 CV 1
ASSI { 195}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 35 and name HD1 ))
2.900 1.100 1.100 peak 195 weight 0.10000E+01 volume 0.31788E-02 ppm1 7.982 ppm2 7.252 CV 1
ASSI { 253}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 35 and name HE3 ))
3.100 1.200 1.200 peak 253 weight 0.10000E+01 volume 0.23481E-02 ppm1 7.983 ppm2 7.646 CV 1
ASSI { 229}
(( segid "B " and resid 35 and name HE1 ))
(( segid "B " and resid 35 and name HZ2 ))
2.700 0.900 0.900 peak 229 weight 0.10000E+01 volume 0.46959E-02 ppm1 10.099 ppm2 7.496 CV 1
ASSI { 185}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 35 and name HZ3 ))
2.200 0.600 0.600 peak 185 weight 0.10000E+01 volume 0.13727E-01 ppm1 7.652 ppm2 7.163 CV 1
ASSI { 192}
(( segid "B " and resid 35 and name HZ2 ))
(( segid "B " and resid 35 and name HZ3 ))
3.500 1.500 1.500 peak 192 weight 0.10000E+01 volume 0.35763E-02 ppm1 7.500 ppm2 7.168 CV 1
ASSI { 110}
(( segid "B " and resid 36 and name HN ))
(( segid "B " and resid 34 and name HB2 ))
3.200 3.200 2.800 peak 110 weight 0.10000E+01 volume 0.36846E-02 ppm1 8.016 ppm2 1.733 CV 1
ASSI { 15}
(( segid "B " and resid 36 and name HN ))
(( segid "B " and resid 35 and name HA ))
2.700 0.900 0.900 peak 15 weight 0.10000E+01 volume 0.52379E-02 ppm1 8.017 ppm2 4.684 CV 1
ASSI { 59}
(( segid "B " and resid 36 and name HN ))
(( segid "B " and resid 35 and name HB2 ))
2.700 0.900 0.900 peak 59 weight 0.10000E+01 volume 0.22036E-02 ppm1 8.017 ppm2 3.321 CV 1
ASSI { 196}
(( segid "B " and resid 36 and name HN ))
(( segid "B " and resid 35 and name HD1 ))
3.300 1.300 1.300 peak 196 weight 0.10000E+01 volume 0.31427E-02 ppm1 8.020 ppm2 7.247 CV 1
ASSI { 6}
(( segid "B " and resid 36 and name HN ))
(( segid "B " and resid 36 and name HA ))
2.300 0.600 0.600 peak 6 weight 0.10000E+01 volume 0.11523E-01 ppm1 8.012 ppm2 4.532 CV 1
ASSI { 69}
(( segid "B " and resid 36 and name HN ))
(( segid "B " and resid 36 and name HB2 ))
2.200 0.600 0.600 peak 69 weight 0.10000E+01 volume 0.43709E-02 ppm1 8.018 ppm2 2.506 CV 1
ASSI { 139}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 11 and name HG2 ))
3.000 1.100 1.100 peak 139 weight 0.10000E+01 volume 0.20950E-02 ppm1 7.340 ppm2 1.609 CV 1
OR { 139}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 11 and name HG2 ))
ASSI { 220}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 29 and name HN ))
2.500 0.800 0.800 peak 220 weight 0.10000E+01 volume 0.26731E-02 ppm1 8.137 ppm2 8.253 CV 1
ASSI { 275}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 17 and name HD11))
3.500 3.500 2.500 peak 275 weight 0.10000E+01 volume 0.17700E-02 ppm1 7.341 ppm2 0.868 CV 1
OR { 275}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 17 and name HG21))
OR { 275}
(( segid "A " and resid 7 and name HZ ))
(( segid "B " and resid 17 and name HD11))
ASSI { 277}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 17 and name HD11))
3.600 3.600 2.400 peak 277 weight 0.10000E+01 volume 0.15533E-02 ppm1 7.325 ppm2 0.822 CV 1
OR { 277}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 17 and name HG21))
ASSI { 294}
( segid "A " and resid 7 and name HD% )
(( segid "B " and resid 17 and name HD11))
4.000 2.000 2.000 peak 294 weight 0.10000E+01 volume 0.90307E-03 ppm1 7.209 ppm2 0.844 CV 1
OR { 294}
( segid "A " and resid 7 and name HD% )
(( segid "B " and resid 17 and name HG21))
ASSI { 301}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HA ))
3.400 1.400 1.400 peak 301 weight 0.10000E+01 volume 0.10476E-02 ppm1 7.300 ppm2 4.257 CV 1
ASSI { 305}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 17 and name HG21))
2.300 0.700 0.700 peak 305 weight 0.10000E+01 volume 0.10837E-02 ppm1 8.138 ppm2 0.812 CV 1
ASSI { 322}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 19 and name HB1 ))
4.100 2.100 1.900 peak 322 weight 0.10000E+01 volume 0.11198E-02 ppm1 7.336 ppm2 2.692 CV 1
ASSI { 366}
(( segid "B " and resid 24 and name HB1 ))
(( segid "B " and resid 19 and name HB2 ))
3.200 1.200 1.200 peak 366 weight 0.10000E+01 volume 0.13727E-02 ppm1 1.417 ppm2 2.750 CV 1
ASSI { 389}
(( segid "B " and resid 21 and name HG2 ))
(( segid "B " and resid 22 and name HG2 ))
3.600 1.600 1.600 peak 389 weight 0.10000E+01 volume 0.12643E-02 ppm1 1.368 ppm2 2.169 CV 1
ASSI { 407}
(( segid "B " and resid 19 and name HB1 ))
(( segid "B " and resid 16 and name HA ))
2.300 2.300 3.700 peak 407 weight 0.10000E+01 volume 0.13727E-02 ppm1 2.670 ppm2 4.441 CV 1
ASSI { 460}
(( segid "B " and resid 36 and name HB2 ))
(( segid "B " and resid 36 and name HA ))
2.400 0.700 0.700 peak 460 weight 0.10000E+01 volume 0.79472E-02 ppm1 2.499 ppm2 4.534 CV 1
ASSI { 513}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 17 and name HG21))
4.100 2.100 1.900 peak 513 weight 0.10000E+01 volume 0.93921E-03 ppm1 7.908 ppm2 0.808 CV 1
ASSI { 518}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 27 and name HB2 ))
4.100 2.100 1.900 peak 518 weight 0.10000E+01 volume 0.79472E-03 ppm1 7.994 ppm2 2.031 CV 1
ASSI { 10}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 3 and name HA ))
2.000 2.000 4.000 peak 10 weight 0.10000E+01 volume 0.26023E-02 ppm1 7.359 ppm2 4.233 CV 1
ASSI { 17}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 33 and name HA ))
3.000 3.000 3.000 peak 17 weight 0.10000E+01 volume 0.32828E-02 ppm1 7.260 ppm2 4.188 CV 1
ASSI { 43}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "B " and resid 12 and name HD2 ))
4.600 2.700 1.400 peak 43 weight 0.10000E+01 volume 0.88078E-03 ppm1 7.514 ppm2 1.693 CV 1
ASSI { 50}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 7 and name HB2 ))
2.900 2.900 3.100 peak 50 weight 0.10000E+01 volume 0.64456E-02 ppm1 7.361 ppm2 2.989 CV 1
ASSI { 68}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 25 and name HG1 ))
3.100 1.200 1.200 peak 68 weight 0.10000E+01 volume 0.22420E-02 ppm1 7.359 ppm2 1.394 CV 1
ASSI { 87}
( segid "A " and resid 6 and name HE% )
(( segid "A " and resid 6 and name HB2 ))
3.200 1.300 1.300 peak 87 weight 0.10000E+01 volume 0.71864E-02 ppm1 7.326 ppm2 2.989 CV 1
ASSI { 118}
(( segid "B " and resid 32 and name HH21))
(( segid "B " and resid 32 and name HB1 ))
3.600 1.600 1.600 peak 118 weight 0.10000E+01 volume 0.17215E-02 ppm1 7.312 ppm2 1.829 CV 1
ASSI { 126}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 27 and name HG1 ))
4.200 2.200 1.800 peak 126 weight 0.10000E+01 volume 0.92082E-03 ppm1 7.262 ppm2 2.367 CV 1
ASSI { 132}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 25 and name HD1 ))
1.900 1.900 4.100 peak 132 weight 0.10000E+01 volume 0.38234E-02 ppm1 7.263 ppm2 1.637 CV 1
ASSI { 134}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 25 and name HG1 ))
2.900 1.100 1.100 peak 134 weight 0.10000E+01 volume 0.26023E-02 ppm1 7.264 ppm2 1.387 CV 1
ASSI { 138}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 3 and name HG2 ))
3.100 1.200 1.200 peak 138 weight 0.10000E+01 volume 0.16214E-02 ppm1 7.263 ppm2 1.076 CV 1
ASSI { 143}
(( segid "A " and resid 2 and name HH2 ))
(( segid "A " and resid 1 and name HB2 ))
2.500 2.500 3.500 peak 143 weight 0.10000E+01 volume 0.99088E-02 ppm1 7.262 ppm2 1.917 CV 1
OR { 143}
(( segid "A " and resid 2 and name HD1 ))
(( segid "A " and resid 1 and name HB2 ))
ASSI { 150}
( segid "A " and resid 7 and name HD% )
( segid "A " and resid 4 and name HG1%)
3.600 1.600 1.600 peak 150 weight 0.10000E+01 volume 0.37632E-02 ppm1 7.257 ppm2 0.978 CV 1
ASSI { 151}
(( segid "A " and resid 2 and name HH2 ))
( segid "A " and resid 4 and name HG1%)
3.300 1.400 1.400 peak 151 weight 0.10000E+01 volume 0.48242E-02 ppm1 7.261 ppm2 0.947 CV 1
ASSI { 171}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "A " and resid 2 and name HB2 ))
3.400 1.400 1.400 peak 171 weight 0.10000E+01 volume 0.37033E-02 ppm1 7.144 ppm2 3.304 CV 1
ASSI { 172}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "A " and resid 4 and name HB ))
2.100 0.500 0.500 peak 172 weight 0.10000E+01 volume 0.13812E-02 ppm1 7.142 ppm2 2.049 CV 1
ASSI { 184}
( segid "A " and resid 6 and name HD% )
(( segid "A " and resid 3 and name HB2 ))
3.500 3.500 2.500 peak 184 weight 0.10000E+01 volume 0.12011E-02 ppm1 7.110 ppm2 1.694 CV 1
ASSI { 211}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
1.900 1.900 4.100 peak 211 weight 0.10000E+01 volume 0.16535E-01 ppm1 4.542 ppm2 2.987 CV 1
ASSI { 218}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 9 and name HB1 ))
3.800 1.800 1.800 peak 218 weight 0.10000E+01 volume 0.16415E-02 ppm1 4.512 ppm2 1.693 CV 1
ASSI { 230}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 9 and name HB1 ))
2.500 0.800 0.800 peak 230 weight 0.10000E+01 volume 0.75466E-02 ppm1 4.290 ppm2 1.796 CV 1
ASSI { 231}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 11 and name HD2 ))
2.700 0.900 0.900 peak 231 weight 0.10000E+01 volume 0.88678E-02 ppm1 4.292 ppm2 3.204 CV 1
OR { 231}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 11 and name HE ))
ASSI { 235}
(( segid "B " and resid 15 and name HA ))
(( segid "B " and resid 19 and name HB2 ))
3.000 1.100 1.100 peak 235 weight 0.10000E+01 volume 0.13612E-02 ppm1 4.283 ppm2 2.755 CV 1
ASSI { 242}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 24 and name HB3 ))
1.800 0.400 0.400 peak 242 weight 0.10000E+01 volume 0.10930E-01 ppm1 4.274 ppm2 1.439 CV 1
OR { 242}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 24 and name HB1 ))
OR { 242}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 24 and name HB2 ))
ASSI { 289}
(( segid "B " and resid 27 and name HA ))
(( segid "B " and resid 27 and name HG2 ))
2.400 0.700 0.700 peak 289 weight 0.10000E+01 volume 0.23021E-02 ppm1 4.183 ppm2 2.280 CV 1
ASSI { 304}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 12 and name HG2 ))
3.000 1.100 1.100 peak 304 weight 0.10000E+01 volume 0.23620E-02 ppm1 4.036 ppm2 1.451 CV 1
ASSI { 310}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 8 and name HB1 ))
4.300 2.300 1.700 peak 310 weight 0.10000E+01 volume 0.13412E-02 ppm1 4.028 ppm2 1.801 CV 1
ASSI { 314}
(( segid "A " and resid 4 and name HA ))
(( segid "B " and resid 12 and name HG2 ))
4.000 2.000 2.000 peak 314 weight 0.10000E+01 volume 0.14413E-02 ppm1 4.030 ppm2 1.398 CV 1
ASSI { 330}
(( segid "B " and resid 35 and name HB2 ))
(( segid "B " and resid 32 and name HG2 ))
3.500 1.500 1.500 peak 330 weight 0.10000E+01 volume 0.34230E-02 ppm1 3.333 ppm2 1.641 CV 1
ASSI { 388}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 17 and name HG23))
3.200 1.300 1.300 peak 388 weight 0.10000E+01 volume 0.18016E-02 ppm1 3.181 ppm2 0.853 CV 1
OR { 388}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 17 and name HG21))
OR { 388}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 17 and name HG22))
ASSI { 407}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 34 and name HB2 ))
3.400 1.400 1.400 peak 407 weight 0.10000E+01 volume 0.17816E-02 ppm1 4.704 ppm2 1.756 CV 1
ASSI { 433}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 22 and name HB1 ))
4.400 2.400 1.600 peak 433 weight 0.10000E+01 volume 0.92082E-03 ppm1 4.609 ppm2 1.905 CV 1
OR { 433}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 22 and name HB2 ))
ASSI { 446}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 27 and name HA ))
4.300 2.300 1.700 peak 446 weight 0.10000E+01 volume 0.84075E-03 ppm1 7.264 ppm2 4.132 CV 1
ASSI { 496}
( segid "A " and resid 8 and name HZ% )
(( segid "A " and resid 9 and name HD2 ))
4.000 2.000 2.000 peak 496 weight 0.10000E+01 volume 0.76067E-03 ppm1 7.507 ppm2 3.204 CV 1
OR { 496}
( segid "A " and resid 8 and name HZ% )
(( segid "A " and resid 9 and name HD1 ))
ASSI { 523}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 15 and name HD13))
4.500 2.500 1.500 peak 523 weight 0.10000E+01 volume 0.78068E-03 ppm1 4.042 ppm2 0.788 CV 1
OR { 523}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 15 and name HD11))
OR { 523}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 15 and name HD12))
ASSI { 672}
(( segid "A " and resid 8 and name HG2 ))
(( segid "B " and resid 15 and name HG21))
4.000 2.000 2.000 peak 672 weight 0.10000E+01 volume 0.96084E-03 ppm1 1.317 ppm2 0.860 CV 1
OR { 672}
(( segid "A " and resid 8 and name HG2 ))
(( segid "B " and resid 15 and name HG22))
OR { 672}
(( segid "A " and resid 8 and name HG2 ))
(( segid "B " and resid 15 and name HG23))
ASSI { 713}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 24 and name HB1 ))
3.900 1.900 1.900 peak 713 weight 0.10000E+01 volume 0.12211E-02 ppm1 2.404 ppm2 1.386 CV 1
OR { 713}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 24 and name HB2 ))
ASSI { 720}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 32 and name HG2 ))
3.600 1.600 1.600 peak 720 weight 0.10000E+01 volume 0.11410E-02 ppm1 2.422 ppm2 1.652 CV 1
ASSI { 721}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 32 and name HG2 ))
3.300 3.300 2.700 peak 721 weight 0.10000E+01 volume 0.12611E-02 ppm1 2.360 ppm2 1.659 CV 1
ASSI { 723}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 32 and name HG2 ))
3.400 1.400 1.400 peak 723 weight 0.10000E+01 volume 0.10409E-02 ppm1 2.280 ppm2 1.624 CV 1
ASSI { 731}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 32 and name HB2 ))
4.500 2.500 1.500 peak 731 weight 0.10000E+01 volume 0.68060E-03 ppm1 2.432 ppm2 1.742 CV 1
ASSI { 732}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 32 and name HB2 ))
3.500 1.500 1.500 peak 732 weight 0.10000E+01 volume 0.82072E-03 ppm1 2.412 ppm2 1.768 CV 1
ASSI { 790}
(( segid "A " and resid 11 and name HA ))
(( segid "B " and resid 19 and name HB1 ))
3.600 1.600 1.600 peak 790 weight 0.10000E+01 volume 0.64056E-03 ppm1 4.303 ppm2 2.671 CV 1
ASSI { 868}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 17 and name HD12))
3.500 1.600 1.600 peak 868 weight 0.10000E+01 volume 0.72063E-03 ppm1 4.702 ppm2 0.833 CV 1
ASSI { 869}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 21 and name HG2 ))
4.300 2.300 1.700 peak 869 weight 0.10000E+01 volume 0.74066E-03 ppm1 4.701 ppm2 1.391 CV 1
ASSI { 255}
(( segid "A " and resid 1 and name HA ))
(( segid "A " and resid 1 and name HB2 ))
1.900 1.900 4.100 peak 255 weight 0.10000E+01 volume 0.20518E-01 ppm1 4.242 ppm2 1.898 CV 1
ASSI { 252}
(( segid "A " and resid 1 and name HA ))
(( segid "A " and resid 1 and name HE1 ))
3.000 1.100 1.100 peak 252 weight 0.10000E+01 volume 0.80071E-02 ppm1 4.242 ppm2 2.049 CV 1
ASSI { 248}
(( segid "A " and resid 1 and name HA ))
(( segid "A " and resid 1 and name HG2 ))
3.200 1.300 1.300 peak 248 weight 0.10000E+01 volume 0.65258E-02 ppm1 4.241 ppm2 2.419 CV 1
ASSI { 246}
(( segid "A " and resid 1 and name HA ))
(( segid "A " and resid 2 and name HB2 ))
3.500 3.500 2.500 peak 246 weight 0.10000E+01 volume 0.21818E-02 ppm1 4.241 ppm2 3.305 CV 1
ASSI { 333}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 1 and name HB2 ))
3.600 1.600 1.600 peak 333 weight 0.10000E+01 volume 0.27624E-02 ppm1 3.302 ppm2 1.917 CV 1
ASSI { 332}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 1 and name HE1 ))
3.700 1.800 1.800 peak 332 weight 0.10000E+01 volume 0.15013E-02 ppm1 3.300 ppm2 2.048 CV 1
ASSI { 1}
(( segid "A " and resid 2 and name HE3 ))
(( segid "A " and resid 1 and name HA ))
3.800 1.800 1.800 peak 1 weight 0.10000E+01 volume 0.13412E-02 ppm1 7.594 ppm2 4.242 CV 1
ASSI { 34}
(( segid "A " and resid 2 and name HE3 ))
(( segid "A " and resid 1 and name HB2 ))
3.100 1.200 1.200 peak 34 weight 0.10000E+01 volume 0.15213E-02 ppm1 7.596 ppm2 1.918 CV 1
ASSI { 33}
(( segid "A " and resid 2 and name HE3 ))
(( segid "A " and resid 1 and name HE1 ))
3.300 1.300 1.300 peak 33 weight 0.10000E+01 volume 0.11810E-02 ppm1 7.595 ppm2 2.049 CV 1
ASSI { 142}
(( segid "A " and resid 2 and name HH2 ))
(( segid "A " and resid 1 and name HE1 ))
4.100 2.100 1.900 peak 142 weight 0.10000E+01 volume 0.11410E-02 ppm1 7.264 ppm2 2.021 CV 1
ASSI { 141}
(( segid "A " and resid 2 and name HH2 ))
(( segid "A " and resid 1 and name HG2 ))
3.900 3.900 2.100 peak 141 weight 0.10000E+01 volume 0.15614E-02 ppm1 7.260 ppm2 2.420 CV 1
ASSI { 443}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "A " and resid 1 and name HA ))
3.600 1.600 1.600 peak 443 weight 0.10000E+01 volume 0.84075E-03 ppm1 7.509 ppm2 4.228 CV 1
ASSI { 42}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "A " and resid 1 and name HB2 ))
3.200 3.200 2.800 peak 42 weight 0.10000E+01 volume 0.19817E-02 ppm1 7.515 ppm2 1.917 CV 1
ASSI { 444}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "A " and resid 1 and name HA ))
4.300 2.300 1.700 peak 444 weight 0.10000E+01 volume 0.82072E-03 ppm1 7.145 ppm2 4.244 CV 1
ASSI { 173}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "A " and resid 1 and name HB2 ))
3.400 1.500 1.500 peak 173 weight 0.10000E+01 volume 0.16415E-02 ppm1 7.140 ppm2 1.917 CV 1
ASSI { 31}
(( segid "A " and resid 2 and name HE3 ))
(( segid "A " and resid 2 and name HB2 ))
1.900 0.500 0.500 peak 31 weight 0.10000E+01 volume 0.20278E-01 ppm1 7.594 ppm2 3.304 CV 1
ASSI { 39}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "A " and resid 2 and name HB2 ))
3.700 3.700 2.300 peak 39 weight 0.10000E+01 volume 0.10209E-02 ppm1 7.513 ppm2 3.306 CV 1
ASSI { 2}
(( segid "A " and resid 2 and name HE3 ))
(( segid "A " and resid 3 and name HA ))
3.400 1.400 1.400 peak 2 weight 0.10000E+01 volume 0.28024E-02 ppm1 7.593 ppm2 4.182 CV 1
ASSI { 23}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "A " and resid 3 and name HA ))
4.100 2.100 1.900 peak 23 weight 0.10000E+01 volume 0.13412E-02 ppm1 7.147 ppm2 4.182 CV 1
ASSI { 574}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 3 and name HB2 ))
4.600 2.700 1.400 peak 574 weight 0.10000E+01 volume 0.82072E-03 ppm1 3.298 ppm2 1.749 CV 1
ASSI { 38}
(( segid "A " and resid 2 and name HE3 ))
(( segid "A " and resid 3 and name HB2 ))
4.400 2.400 1.600 peak 38 weight 0.10000E+01 volume 0.11010E-02 ppm1 7.591 ppm2 1.697 CV 1
ASSI { 168}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "A " and resid 3 and name HB2 ))
4.400 2.400 1.600 peak 168 weight 0.10000E+01 volume 0.10409E-02 ppm1 7.150 ppm2 1.684 CV 1
ASSI { 339}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 3 and name HD1 ))
2.900 1.100 1.100 peak 339 weight 0.10000E+01 volume 0.11210E-02 ppm1 3.302 ppm2 1.553 CV 1
ASSI { 148}
(( segid "A " and resid 2 and name HD1 ))
(( segid "A " and resid 3 and name HD1 ))
3.800 1.800 1.800 peak 148 weight 0.10000E+01 volume 0.28024E-02 ppm1 7.259 ppm2 1.555 CV 1
ASSI { 432}
(( segid "A " and resid 2 and name HE3 ))
(( segid "A " and resid 3 and name HD1 ))
4.200 4.200 1.800 peak 432 weight 0.10000E+01 volume 0.88078E-03 ppm1 7.593 ppm2 1.548 CV 1
ASSI { 44}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "A " and resid 3 and name HD1 ))
4.000 2.000 2.000 peak 44 weight 0.10000E+01 volume 0.12611E-02 ppm1 7.517 ppm2 1.550 CV 1
ASSI { 468}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "A " and resid 3 and name HD1 ))
4.700 2.800 1.300 peak 468 weight 0.10000E+01 volume 0.88078E-03 ppm1 7.139 ppm2 1.545 CV 1
ASSI { 587}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 3 and name HE1 ))
3.500 1.500 1.500 peak 587 weight 0.10000E+01 volume 0.16415E-02 ppm1 3.308 ppm2 2.889 CV 1
ASSI { 513}
(( segid "A " and resid 2 and name HE3 ))
(( segid "A " and resid 3 and name HE1 ))
3.600 1.600 1.600 peak 513 weight 0.10000E+01 volume 0.54048E-03 ppm1 7.598 ppm2 2.883 CV 1
ASSI { 140}
(( segid "A " and resid 2 and name HH2 ))
(( segid "A " and resid 3 and name HE1 ))
2.900 2.900 3.100 peak 140 weight 0.10000E+01 volume 0.25223E-02 ppm1 7.260 ppm2 2.881 CV 1
ASSI { 40}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "A " and resid 3 and name HE1 ))
2.900 2.900 3.100 peak 40 weight 0.10000E+01 volume 0.26423E-02 ppm1 7.516 ppm2 2.882 CV 1
ASSI { 340}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 3 and name HG2 ))
4.200 2.200 1.800 peak 340 weight 0.10000E+01 volume 0.10409E-02 ppm1 3.304 ppm2 1.079 CV 1
ASSI { 448}
(( segid "A " and resid 2 and name HE3 ))
(( segid "A " and resid 3 and name HG2 ))
3.200 1.300 1.300 peak 448 weight 0.10000E+01 volume 0.90079E-03 ppm1 7.595 ppm2 1.061 CV 1
ASSI { 471}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "A " and resid 3 and name HG2 ))
3.600 1.600 1.600 peak 471 weight 0.10000E+01 volume 0.72063E-03 ppm1 7.147 ppm2 1.071 CV 1
ASSI { 288}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 3 and name HE1 ))
3.900 1.900 1.900 peak 288 weight 0.10000E+01 volume 0.28024E-02 ppm1 4.180 ppm2 2.883 CV 1
ASSI { 346}
(( segid "A " and resid 3 and name HE1 ))
(( segid "A " and resid 3 and name HB2 ))
3.800 1.800 1.800 peak 346 weight 0.10000E+01 volume 0.29627E-02 ppm1 2.884 ppm2 1.698 CV 1
ASSI { 349}
(( segid "A " and resid 3 and name HE1 ))
(( segid "A " and resid 3 and name HD1 ))
1.800 0.400 0.400 peak 349 weight 0.10000E+01 volume 0.20838E-01 ppm1 2.878 ppm2 1.549 CV 1
ASSI { 293}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 3 and name HG2 ))
2.500 2.500 3.500 peak 293 weight 0.10000E+01 volume 0.96886E-02 ppm1 4.181 ppm2 1.078 CV 1
ASSI { 350}
(( segid "A " and resid 3 and name HE1 ))
(( segid "A " and resid 3 and name HG2 ))
2.400 0.700 0.700 peak 350 weight 0.10000E+01 volume 0.69260E-02 ppm1 2.881 ppm2 1.074 CV 1
ASSI { 315}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 1 and name HB2 ))
3.600 3.600 2.400 peak 315 weight 0.10000E+01 volume 0.22020E-02 ppm1 4.024 ppm2 1.889 CV 1
ASSI { 439}
(( segid "A " and resid 1 and name HA ))
( segid "A " and resid 4 and name HG2%)
3.400 3.400 2.600 peak 439 weight 0.10000E+01 volume 0.51244E-02 ppm1 4.240 ppm2 0.946 CV 1
ASSI { 438}
(( segid "A " and resid 1 and name HA ))
( segid "A " and resid 4 and name HG1%)
3.200 1.300 1.300 peak 438 weight 0.10000E+01 volume 0.97085E-02 ppm1 4.243 ppm2 0.978 CV 1
ASSI { 490}
(( segid "A " and resid 1 and name HG2 ))
( segid "A " and resid 4 and name HG1%)
3.300 1.400 1.400 peak 490 weight 0.10000E+01 volume 0.10609E-02 ppm1 2.417 ppm2 0.978 CV 1
ASSI { 512}
(( segid "A " and resid 2 and name HE3 ))
(( segid "A " and resid 4 and name HA ))
4.000 2.000 2.000 peak 512 weight 0.10000E+01 volume 0.56050E-03 ppm1 7.598 ppm2 4.019 CV 1
ASSI { 46}
(( segid "A " and resid 2 and name HZ2 ))
( segid "A " and resid 4 and name HG2%)
3.400 3.400 2.600 peak 46 weight 0.10000E+01 volume 0.15013E-02 ppm1 7.517 ppm2 0.946 CV 1
ASSI { 377}
(( segid "A " and resid 2 and name HB2 ))
( segid "A " and resid 4 and name HG1%)
4.300 2.300 1.700 peak 377 weight 0.10000E+01 volume 0.31228E-02 ppm1 3.304 ppm2 0.978 CV 1
ASSI { 103}
(( segid "A " and resid 2 and name HD1 ))
( segid "A " and resid 4 and name HG1%)
3.500 3.500 2.500 peak 103 weight 0.10000E+01 volume 0.31429E-02 ppm1 7.324 ppm2 0.978 CV 1
ASSI { 36}
(( segid "A " and resid 2 and name HE3 ))
( segid "A " and resid 4 and name HG1%)
3.800 1.800 1.800 peak 36 weight 0.10000E+01 volume 0.19417E-02 ppm1 7.594 ppm2 0.979 CV 1
ASSI { 45}
(( segid "A " and resid 2 and name HZ2 ))
( segid "A " and resid 4 and name HG1%)
4.400 2.400 1.600 peak 45 weight 0.10000E+01 volume 0.10810E-02 ppm1 7.515 ppm2 0.979 CV 1
ASSI { 175}
(( segid "A " and resid 2 and name HZ3 ))
( segid "A " and resid 4 and name HG1%)
3.800 1.800 1.800 peak 175 weight 0.10000E+01 volume 0.14213E-02 ppm1 7.142 ppm2 0.978 CV 1
ASSI { 312}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 3 and name HB2 ))
3.100 3.100 2.900 peak 312 weight 0.10000E+01 volume 0.40637E-02 ppm1 4.027 ppm2 1.689 CV 1
ASSI { 313}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 3 and name HD1 ))
4.600 2.700 1.400 peak 313 weight 0.10000E+01 volume 0.12611E-02 ppm1 4.029 ppm2 1.530 CV 1
ASSI { 521}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 3 and name HG2 ))
3.300 1.400 1.400 peak 521 weight 0.10000E+01 volume 0.80071E-03 ppm1 4.030 ppm2 1.070 CV 1
ASSI { 440}
(( segid "A " and resid 3 and name HA ))
( segid "A " and resid 4 and name HG2%)
3.300 3.300 2.700 peak 440 weight 0.10000E+01 volume 0.33430E-02 ppm1 4.182 ppm2 0.945 CV 1
ASSI { 663}
(( segid "A " and resid 3 and name HD1 ))
( segid "A " and resid 4 and name HG2%)
5.300 3.600 0.700 peak 663 weight 0.10000E+01 volume 0.14012E-02 ppm1 1.557 ppm2 0.947 CV 1
ASSI { 403}
(( segid "A " and resid 3 and name HE1 ))
( segid "A " and resid 4 and name HG2%)
4.500 2.500 1.500 peak 403 weight 0.10000E+01 volume 0.10009E-02 ppm1 2.887 ppm2 0.945 CV 1
ASSI { 437}
(( segid "A " and resid 3 and name HA ))
( segid "A " and resid 4 and name HG1%)
3.300 1.400 1.400 peak 437 weight 0.10000E+01 volume 0.38033E-02 ppm1 4.181 ppm2 0.979 CV 1
ASSI { 662}
(( segid "A " and resid 3 and name HD1 ))
( segid "A " and resid 4 and name HG1%)
5.000 3.100 1.000 peak 662 weight 0.10000E+01 volume 0.14813E-02 ppm1 1.542 ppm2 0.976 CV 1
ASSI { 402}
(( segid "A " and resid 3 and name HE1 ))
( segid "A " and resid 4 and name HG1%)
4.300 2.300 1.700 peak 402 weight 0.10000E+01 volume 0.13011E-02 ppm1 2.885 ppm2 0.976 CV 1
ASSI { 308}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 4 and name HB ))
1.600 0.300 0.600 peak 308 weight 0.10000E+01 volume 0.13772E-01 ppm1 4.027 ppm2 2.081 CV 1
ASSI { 779}
(( segid "A " and resid 5 and name HA2 ))
(( segid "A " and resid 1 and name HB2 ))
2.500 2.500 3.500 peak 779 weight 0.10000E+01 volume 0.74066E-03 ppm1 3.866 ppm2 1.918 CV 1
ASSI { 372}
(( segid "A " and resid 5 and name HA1 ))
( segid "A " and resid 4 and name HG1%)
3.300 1.400 1.400 peak 372 weight 0.10000E+01 volume 0.33631E-02 ppm1 3.923 ppm2 0.946 CV 1
ASSI { 565}
(( segid "A " and resid 5 and name HA2 ))
(( segid "A " and resid 4 and name HB ))
4.300 2.300 1.700 peak 565 weight 0.10000E+01 volume 0.62055E-03 ppm1 3.855 ppm2 2.084 CV 1
ASSI { 374}
(( segid "A " and resid 5 and name HA2 ))
( segid "A " and resid 4 and name HG1%)
2.600 0.800 0.800 peak 374 weight 0.10000E+01 volume 0.30427E-02 ppm1 3.859 ppm2 0.945 CV 1
ASSI { 354}
(( segid "A " and resid 6 and name HA ))
( segid "A " and resid 4 and name HG2%)
3.700 1.700 1.700 peak 354 weight 0.10000E+01 volume 0.15814E-02 ppm1 4.509 ppm2 0.946 CV 1
ASSI { 427}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 5 and name HA1 ))
3.100 1.200 1.200 peak 427 weight 0.10000E+01 volume 0.16815E-02 ppm1 4.509 ppm2 3.922 CV 1
ASSI { 428}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 5 and name HA2 ))
3.300 1.400 1.400 peak 428 weight 0.10000E+01 volume 0.13812E-02 ppm1 4.509 ppm2 3.859 CV 1
ASSI { 316}
(( segid "A " and resid 5 and name HA1 ))
(( segid "A " and resid 6 and name HB2 ))
3.700 3.700 2.300 peak 316 weight 0.10000E+01 volume 0.11210E-02 ppm1 3.943 ppm2 2.997 CV 1
ASSI { 27}
( segid "A " and resid 6 and name HD% )
(( segid "A " and resid 5 and name HA1 ))
3.400 3.400 2.600 peak 27 weight 0.10000E+01 volume 0.98087E-03 ppm1 7.108 ppm2 3.921 CV 1
ASSI { 28}
( segid "A " and resid 6 and name HD% )
(( segid "A " and resid 5 and name HA2 ))
4.100 2.100 1.900 peak 28 weight 0.10000E+01 volume 0.10609E-02 ppm1 7.108 ppm2 3.861 CV 1
ASSI { 504}
( segid "A " and resid 6 and name HE% )
(( segid "A " and resid 5 and name HA1 ))
3.400 3.400 2.600 peak 504 weight 0.10000E+01 volume 0.68060E-03 ppm1 7.331 ppm2 3.922 CV 1
ASSI { 213}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HB2 ))
2.000 0.500 0.500 peak 213 weight 0.10000E+01 volume 0.37374E-01 ppm1 4.511 ppm2 2.997 CV 1
ASSI { 25}
( segid "A " and resid 6 and name HD% )
(( segid "A " and resid 6 and name HA ))
2.400 0.700 0.700 peak 25 weight 0.10000E+01 volume 0.10009E-01 ppm1 7.109 ppm2 4.509 CV 1
ASSI { 178}
( segid "A " and resid 6 and name HD% )
(( segid "A " and resid 6 and name HB2 ))
2.000 0.500 0.500 peak 178 weight 0.10000E+01 volume 0.26382E-01 ppm1 7.109 ppm2 2.993 CV 1
ASSI { 8}
( segid "A " and resid 6 and name HE% )
(( segid "A " and resid 6 and name HA ))
2.000 2.000 4.000 peak 8 weight 0.10000E+01 volume 0.25022E-02 ppm1 7.326 ppm2 4.509 CV 1
ASSI { 495}
(( segid "A " and resid 2 and name HE3 ))
(( segid "A " and resid 7 and name HB1 ))
4.700 2.800 1.300 peak 495 weight 0.10000E+01 volume 0.60052E-03 ppm1 7.593 ppm2 3.110 CV 1
ASSI { 32}
(( segid "A " and resid 2 and name HE3 ))
(( segid "A " and resid 7 and name HB2 ))
3.500 1.500 1.500 peak 32 weight 0.10000E+01 volume 0.19617E-02 ppm1 7.595 ppm2 2.996 CV 1
ASSI { 345}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 3 and name HG2 ))
2.300 0.700 0.700 peak 345 weight 0.10000E+01 volume 0.17015E-02 ppm1 2.995 ppm2 1.092 CV 1
ASSI { 147}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 3 and name HB2 ))
2.400 0.700 0.700 peak 147 weight 0.10000E+01 volume 0.38234E-02 ppm1 7.262 ppm2 1.693 CV 1
ASSI { 64}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 3 and name HB2 ))
2.800 0.900 0.900 peak 64 weight 0.10000E+01 volume 0.27224E-02 ppm1 7.359 ppm2 1.697 CV 1
ASSI { 480}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 3 and name HG2 ))
4.200 2.200 1.800 peak 480 weight 0.10000E+01 volume 0.68060E-03 ppm1 7.366 ppm2 1.089 CV 1
ASSI { 351}
(( segid "A " and resid 7 and name HA ))
( segid "A " and resid 4 and name HG2%)
4.000 2.000 2.000 peak 351 weight 0.10000E+01 volume 0.14413E-02 ppm1 4.555 ppm2 0.948 CV 1
ASSI { 306}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 7 and name HB1 ))
3.100 1.200 1.200 peak 306 weight 0.10000E+01 volume 0.98087E-03 ppm1 4.025 ppm2 3.108 CV 1
ASSI { 392}
(( segid "A " and resid 7 and name HB1 ))
( segid "A " and resid 4 and name HG1%)
4.200 2.200 1.800 peak 392 weight 0.10000E+01 volume 0.11210E-02 ppm1 3.123 ppm2 0.979 CV 1
ASSI { 307}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 7 and name HB2 ))
2.100 0.600 0.600 peak 307 weight 0.10000E+01 volume 0.25022E-02 ppm1 4.026 ppm2 2.988 CV 1
ASSI { 626}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 4 and name HB ))
3.800 1.800 1.800 peak 626 weight 0.10000E+01 volume 0.10409E-02 ppm1 2.967 ppm2 2.049 CV 1
ASSI { 397}
(( segid "A " and resid 7 and name HB2 ))
( segid "A " and resid 4 and name HG1%)
3.100 1.200 1.200 peak 397 weight 0.10000E+01 volume 0.61454E-02 ppm1 2.995 ppm2 0.945 CV 1
ASSI { 22}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 4 and name HA ))
3.700 1.700 1.700 peak 22 weight 0.10000E+01 volume 0.23021E-02 ppm1 7.243 ppm2 4.028 CV 1
ASSI { 19}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 6 and name HA ))
3.600 1.600 1.600 peak 19 weight 0.10000E+01 volume 0.14012E-02 ppm1 7.244 ppm2 4.513 CV 1
ASSI { 660}
(( segid "A " and resid 8 and name HD2 ))
( segid "A " and resid 4 and name HG2%)
3.000 1.100 1.100 peak 660 weight 0.10000E+01 volume 0.40035E-02 ppm1 1.693 ppm2 0.944 CV 1
ASSI { 661}
(( segid "A " and resid 8 and name HD2 ))
( segid "A " and resid 4 and name HG1%)
2.800 1.000 1.000 peak 661 weight 0.10000E+01 volume 0.11210E-02 ppm1 1.694 ppm2 0.977 CV 1
ASSI { 520}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 8 and name HG2 ))
3.900 1.900 1.900 peak 520 weight 0.10000E+01 volume 0.82072E-03 ppm1 4.032 ppm2 1.346 CV 1
ASSI { 324}
(( segid "A " and resid 5 and name HA2 ))
(( segid "A " and resid 8 and name HB1 ))
4.300 2.300 1.700 peak 324 weight 0.10000E+01 volume 0.16815E-02 ppm1 3.860 ppm2 1.794 CV 1
ASSI { 321}
(( segid "A " and resid 5 and name HA1 ))
(( segid "A " and resid 8 and name HD2 ))
3.700 1.700 1.700 peak 321 weight 0.10000E+01 volume 0.26824E-02 ppm1 3.923 ppm2 1.692 CV 1
ASSI { 325}
(( segid "A " and resid 5 and name HA2 ))
(( segid "A " and resid 8 and name HD2 ))
2.600 0.900 0.900 peak 325 weight 0.10000E+01 volume 0.35831E-02 ppm1 3.854 ppm2 1.691 CV 1
ASSI { 322}
(( segid "A " and resid 5 and name HA1 ))
(( segid "A " and resid 8 and name HG2 ))
4.100 2.200 1.900 peak 322 weight 0.10000E+01 volume 0.10609E-02 ppm1 3.925 ppm2 1.351 CV 1
ASSI { 326}
(( segid "A " and resid 5 and name HA2 ))
(( segid "A " and resid 8 and name HG2 ))
3.600 1.600 1.600 peak 326 weight 0.10000E+01 volume 0.10810E-02 ppm1 3.862 ppm2 1.347 CV 1
ASSI { 220}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 8 and name HD2 ))
3.800 1.800 1.800 peak 220 weight 0.10000E+01 volume 0.21219E-02 ppm1 4.509 ppm2 1.620 CV 1
ASSI { 267}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 7 and name HB1 ))
3.300 1.400 1.400 peak 267 weight 0.10000E+01 volume 0.27825E-02 ppm1 4.227 ppm2 3.133 CV 1
ASSI { 204}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 8 and name HB1 ))
4.200 2.200 1.800 peak 204 weight 0.10000E+01 volume 0.10209E-02 ppm1 4.548 ppm2 1.814 CV 1
ASSI { 207}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 8 and name HD2 ))
3.500 3.500 2.500 peak 207 weight 0.10000E+01 volume 0.24222E-02 ppm1 4.552 ppm2 1.689 CV 1
ASSI { 210}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 8 and name HG2 ))
3.500 1.500 1.500 peak 210 weight 0.10000E+01 volume 0.13812E-02 ppm1 4.551 ppm2 1.352 CV 1
ASSI { 272}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 8 and name HG2 ))
2.200 2.200 3.800 peak 272 weight 0.10000E+01 volume 0.11950E-01 ppm1 4.228 ppm2 1.341 CV 1
ASSI { 781}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 9 and name HD1 ))
4.300 2.300 1.700 peak 781 weight 0.10000E+01 volume 0.70062E-03 ppm1 4.032 ppm2 3.203 CV 1
ASSI { 782}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 9 and name HD2 ))
4.600 2.600 1.400 peak 782 weight 0.10000E+01 volume 0.64056E-03 ppm1 4.027 ppm2 3.162 CV 1
ASSI { 563}
(( segid "A " and resid 5 and name HA2 ))
(( segid "A " and resid 9 and name HG2 ))
4.300 2.300 1.700 peak 563 weight 0.10000E+01 volume 0.60052E-03 ppm1 3.852 ppm2 1.639 CV 1
ASSI { 215}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 9 and name HB2 ))
4.400 2.400 1.600 peak 215 weight 0.10000E+01 volume 0.12611E-02 ppm1 4.513 ppm2 1.835 CV 1
ASSI { 212}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 9 and name HD1 ))
2.400 0.700 0.700 peak 212 weight 0.10000E+01 volume 0.22820E-02 ppm1 4.511 ppm2 3.190 CV 1
ASSI { 177}
( segid "A " and resid 6 and name HD% )
(( segid "A " and resid 9 and name HD1 ))
3.900 1.900 1.900 peak 177 weight 0.10000E+01 volume 0.13011E-02 ppm1 7.110 ppm2 3.191 CV 1
ASSI { 239}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 8 and name HG2 ))
3.100 1.200 1.200 peak 239 weight 0.10000E+01 volume 0.31026E-02 ppm1 4.282 ppm2 1.349 CV 1
ASSI { 237}
(( segid "A " and resid 9 and name HA ))
(( segid "A " and resid 9 and name HB2 ))
2.000 0.500 0.500 peak 237 weight 0.10000E+01 volume 0.18777E-01 ppm1 4.286 ppm2 1.753 CV 1
ASSI { 179}
( segid "A " and resid 6 and name HD% )
(( segid "A " and resid 10 and name HB2 ))
4.200 2.200 1.800 peak 179 weight 0.10000E+01 volume 0.10009E-02 ppm1 7.115 ppm2 2.885 CV 1
ASSI { 202}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 10 and name HB2 ))
3.100 1.200 1.200 peak 202 weight 0.10000E+01 volume 0.23021E-02 ppm1 4.548 ppm2 2.834 CV 1
ASSI { 459}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 10 and name HB2 ))
3.700 1.700 1.700 peak 459 weight 0.10000E+01 volume 0.90079E-03 ppm1 7.250 ppm2 2.832 CV 1
ASSI { 52}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 10 and name HB2 ))
3.900 3.900 2.100 peak 52 weight 0.10000E+01 volume 0.84075E-03 ppm1 7.359 ppm2 2.838 CV 1
ASSI { 203}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 10 and name HB1 ))
3.700 1.700 1.700 peak 203 weight 0.10000E+01 volume 0.21818E-02 ppm1 4.548 ppm2 2.769 CV 1
ASSI { 458}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 10 and name HB1 ))
4.200 2.200 1.800 peak 458 weight 0.10000E+01 volume 0.82072E-03 ppm1 7.245 ppm2 2.759 CV 1
ASSI { 456}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 10 and name HB1 ))
4.300 2.300 1.700 peak 456 weight 0.10000E+01 volume 0.86075E-03 ppm1 7.360 ppm2 2.751 CV 1
ASSI { 411}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 10 and name HB2 ))
2.000 0.500 0.500 peak 411 weight 0.10000E+01 volume 0.24581E-01 ppm1 4.706 ppm2 2.837 CV 1
ASSI { 412}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 10 and name HB1 ))
2.200 0.600 0.600 peak 412 weight 0.10000E+01 volume 0.12071E-01 ppm1 4.705 ppm2 2.783 CV 1
ASSI { 232}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 7 and name HB1 ))
3.800 3.800 2.200 peak 232 weight 0.10000E+01 volume 0.11210E-02 ppm1 4.288 ppm2 3.124 CV 1
ASSI { 21}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 11 and name HA ))
4.000 2.000 2.000 peak 21 weight 0.10000E+01 volume 0.15213E-02 ppm1 7.252 ppm2 4.285 CV 1
ASSI { 4}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 11 and name HA ))
4.100 2.100 1.900 peak 4 weight 0.10000E+01 volume 0.14413E-02 ppm1 7.358 ppm2 4.283 CV 1
ASSI { 9}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 11 and name HA ))
4.200 2.200 1.800 peak 9 weight 0.10000E+01 volume 0.13212E-02 ppm1 7.316 ppm2 4.284 CV 1
ASSI { 189}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 11 and name HB2 ))
3.900 1.900 1.900 peak 189 weight 0.10000E+01 volume 0.11810E-02 ppm1 4.560 ppm2 1.886 CV 1
ASSI { 59}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 11 and name HB2 ))
3.100 1.200 1.200 peak 59 weight 0.10000E+01 volume 0.23421E-02 ppm1 7.361 ppm2 1.917 CV 1
ASSI { 190}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 11 and name HB1 ))
3.000 1.100 1.100 peak 190 weight 0.10000E+01 volume 0.10209E-02 ppm1 4.552 ppm2 1.849 CV 1
ASSI { 63}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 11 and name HB1 ))
3.300 1.400 1.400 peak 63 weight 0.10000E+01 volume 0.14813E-02 ppm1 7.360 ppm2 1.733 CV 1
ASSI { 162}
( segid "A " and resid 7 and name HD% )
(( segid "A " and resid 11 and name HG1 ))
3.600 1.600 1.600 peak 162 weight 0.10000E+01 volume 0.10609E-02 ppm1 7.232 ppm2 1.591 CV 1
ASSI { 110}
(( segid "A " and resid 7 and name HZ ))
(( segid "A " and resid 11 and name HG1 ))
2.800 1.000 1.000 peak 110 weight 0.10000E+01 volume 0.23421E-02 ppm1 7.317 ppm2 1.655 CV 1
ASSI { 165}
(( segid "A " and resid 11 and name HH21))
(( segid "A " and resid 7 and name HB2 ))
2.400 2.400 3.600 peak 165 weight 0.10000E+01 volume 0.96084E-03 ppm1 7.186 ppm2 2.988 CV 1
ASSI { 227}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 10 and name HB2 ))
3.800 1.800 1.800 peak 227 weight 0.10000E+01 volume 0.10409E-02 ppm1 4.290 ppm2 2.852 CV 1
ASSI { 229}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 11 and name HB2 ))
2.000 2.000 4.000 peak 229 weight 0.10000E+01 volume 0.20078E-01 ppm1 4.290 ppm2 1.906 CV 1
ASSI { 236}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 11 and name HB1 ))
2.100 0.500 0.500 peak 236 weight 0.10000E+01 volume 0.15434E-01 ppm1 4.287 ppm2 1.838 CV 1
ASSI { 131}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 12 and name HD2 ))
3.400 1.500 1.500 peak 131 weight 0.10000E+01 volume 0.22621E-02 ppm1 7.266 ppm2 1.738 CV 1
ASSI { 139}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 12 and name HE2 ))
3.800 1.800 1.800 peak 139 weight 0.10000E+01 volume 0.16615E-02 ppm1 7.261 ppm2 3.036 CV 1
ASSI { 453}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "B " and resid 12 and name HE2 ))
4.500 2.600 1.500 peak 453 weight 0.10000E+01 volume 0.90079E-03 ppm1 7.513 ppm2 2.997 CV 1
ASSI { 149}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 12 and name HG2 ))
3.100 1.200 1.200 peak 149 weight 0.10000E+01 volume 0.12211E-02 ppm1 7.259 ppm2 1.473 CV 1
ASSI { 455}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "B " and resid 12 and name HG2 ))
4.600 2.600 1.400 peak 455 weight 0.10000E+01 volume 0.92082E-03 ppm1 7.509 ppm2 1.439 CV 1
ASSI { 348}
(( segid "A " and resid 3 and name HE1 ))
(( segid "B " and resid 12 and name HB2 ))
4.200 2.200 1.800 peak 348 weight 0.10000E+01 volume 0.98087E-03 ppm1 2.880 ppm2 1.899 CV 1
ASSI { 300}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 12 and name HB2 ))
2.100 0.600 0.600 peak 300 weight 0.10000E+01 volume 0.51045E-02 ppm1 4.038 ppm2 1.924 CV 1
ASSI { 301}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 12 and name HD2 ))
3.400 1.500 1.500 peak 301 weight 0.10000E+01 volume 0.19817E-02 ppm1 4.036 ppm2 1.727 CV 1
ASSI { 299}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 12 and name HE2 ))
3.800 1.800 1.800 peak 299 weight 0.10000E+01 volume 0.13412E-02 ppm1 4.039 ppm2 3.027 CV 1
ASSI { 617}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 12 and name HB2 ))
3.300 1.300 1.300 peak 617 weight 0.10000E+01 volume 0.26824E-02 ppm1 3.025 ppm2 1.927 CV 1
ASSI { 477}
(( segid "A " and resid 2 and name HE3 ))
(( segid "B " and resid 13 and name HD12))
3.900 3.900 2.100 peak 477 weight 0.10000E+01 volume 0.64056E-03 ppm1 7.593 ppm2 0.916 CV 1
OR { 477}
(( segid "A " and resid 2 and name HE3 ))
(( segid "B " and resid 13 and name HD11))
OR { 477}
(( segid "A " and resid 2 and name HE3 ))
(( segid "B " and resid 13 and name HD13))
ASSI { 152}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 13 and name HD11))
2.900 1.000 1.000 peak 152 weight 0.10000E+01 volume 0.25223E-02 ppm1 7.259 ppm2 0.911 CV 1
OR { 152}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 13 and name HD12))
OR { 152}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 13 and name HD13))
ASSI { 450}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "B " and resid 13 and name HD11))
3.600 1.600 1.600 peak 450 weight 0.10000E+01 volume 0.84075E-03 ppm1 7.514 ppm2 0.871 CV 1
OR { 450}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "B " and resid 13 and name HD12))
OR { 450}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "B " and resid 13 and name HD13))
ASSI { 170}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "B " and resid 13 and name HD12))
3.800 1.800 1.800 peak 170 weight 0.10000E+01 volume 0.10009E-02 ppm1 7.147 ppm2 0.906 CV 1
OR { 170}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "B " and resid 13 and name HD11))
OR { 170}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "B " and resid 13 and name HD13))
ASSI { 404}
(( segid "A " and resid 3 and name HE1 ))
(( segid "B " and resid 13 and name HD12))
3.600 1.600 1.600 peak 404 weight 0.10000E+01 volume 0.96084E-03 ppm1 2.887 ppm2 0.914 CV 1
OR { 404}
(( segid "A " and resid 3 and name HE1 ))
(( segid "B " and resid 13 and name HD11))
OR { 404}
(( segid "A " and resid 3 and name HE1 ))
(( segid "B " and resid 13 and name HD13))
ASSI { 223}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 12 and name HG2 ))
2.400 0.700 0.700 peak 223 weight 0.10000E+01 volume 0.33430E-02 ppm1 4.413 ppm2 1.406 CV 1
ASSI { 303}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 13 and name HB2 ))
4.100 2.100 1.900 peak 303 weight 0.10000E+01 volume 0.16014E-02 ppm1 4.038 ppm2 1.616 CV 1
ASSI { 357}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 13 and name HD11))
3.000 1.100 1.100 peak 357 weight 0.10000E+01 volume 0.38234E-02 ppm1 4.430 ppm2 0.916 CV 1
OR { 357}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 13 and name HD12))
OR { 357}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 13 and name HD13))
ASSI { 367}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 14 and name HD21))
3.100 3.100 2.900 peak 367 weight 0.10000E+01 volume 0.28225E-02 ppm1 4.027 ppm2 0.920 CV 1
OR { 367}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 14 and name HD23))
OR { 367}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 14 and name HD22))
ASSI { 302}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 14 and name HG ))
3.700 1.700 1.700 peak 302 weight 0.10000E+01 volume 0.98087E-03 ppm1 4.033 ppm2 1.649 CV 1
ASSI { 536}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 14 and name HD11))
3.000 1.100 1.100 peak 536 weight 0.10000E+01 volume 0.22020E-02 ppm1 4.452 ppm2 0.940 CV 1
OR { 536}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 14 and name HD13))
OR { 536}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 14 and name HD12))
ASSI { 355}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 14 and name HD21))
3.600 1.600 1.600 peak 355 weight 0.10000E+01 volume 0.31829E-02 ppm1 4.457 ppm2 0.879 CV 1
OR { 355}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 14 and name HD22))
OR { 355}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 14 and name HD23))
ASSI { 671}
(( segid "A " and resid 8 and name HG2 ))
(( segid "B " and resid 15 and name HD11))
3.900 3.900 2.100 peak 671 weight 0.10000E+01 volume 0.10810E-02 ppm1 1.309 ppm2 0.834 CV 1
OR { 671}
(( segid "A " and resid 8 and name HG2 ))
(( segid "B " and resid 15 and name HD13))
OR { 671}
(( segid "A " and resid 8 and name HG2 ))
(( segid "B " and resid 15 and name HD12))
ASSI { 309}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 15 and name HB ))
4.100 2.100 1.900 peak 309 weight 0.10000E+01 volume 0.10209E-02 ppm1 4.037 ppm2 1.831 CV 1
ASSI { 522}
(( segid "B " and resid 12 and name HA ))
( segid "B " and resid 15 and name HG1%)
4.500 2.500 1.500 peak 522 weight 0.10000E+01 volume 0.68060E-03 ppm1 4.035 ppm2 1.150 CV 1
ASSI { 435}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 15 and name HB ))
4.100 2.100 1.900 peak 435 weight 0.10000E+01 volume 0.82072E-03 ppm1 4.432 ppm2 1.795 CV 1
ASSI { 137}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 16 and name HG23))
3.800 1.800 1.800 peak 137 weight 0.10000E+01 volume 0.11210E-02 ppm1 7.265 ppm2 1.142 CV 1
OR { 137}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 16 and name HG22))
OR { 137}
(( segid "A " and resid 2 and name HH2 ))
(( segid "B " and resid 16 and name HG21))
ASSI { 516}
(( segid "A " and resid 11 and name HE ))
(( segid "B " and resid 16 and name HG21))
2.300 2.300 3.700 peak 516 weight 0.10000E+01 volume 0.11610E-02 ppm1 3.207 ppm2 1.144 CV 1
OR { 516}
(( segid "A " and resid 11 and name HE ))
(( segid "B " and resid 16 and name HG22))
OR { 516}
(( segid "A " and resid 11 and name HE ))
(( segid "B " and resid 16 and name HG23))
ASSI { 344}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 16 and name HG23))
4.300 2.300 1.700 peak 344 weight 0.10000E+01 volume 0.11610E-02 ppm1 3.008 ppm2 1.147 CV 1
OR { 344}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 16 and name HG22))
OR { 344}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 16 and name HG21))
ASSI { 364}
(( segid "B " and resid 16 and name HB ))
(( segid "B " and resid 13 and name HD11))
4.000 2.000 2.000 peak 364 weight 0.10000E+01 volume 0.10409E-02 ppm1 4.132 ppm2 0.948 CV 1
OR { 364}
(( segid "B " and resid 16 and name HB ))
(( segid "B " and resid 13 and name HD12))
OR { 364}
(( segid "B " and resid 16 and name HB ))
(( segid "B " and resid 13 and name HD13))
ASSI { 224}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 16 and name HG21))
2.500 0.800 0.800 peak 224 weight 0.10000E+01 volume 0.58451E-02 ppm1 4.408 ppm2 1.141 CV 1
OR { 224}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 16 and name HG22))
OR { 224}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 16 and name HG23))
ASSI { 292}
(( segid "B " and resid 16 and name HB ))
(( segid "B " and resid 16 and name HG22))
2.200 0.600 0.600 peak 292 weight 0.10000E+01 volume 0.61255E-02 ppm1 4.180 ppm2 1.142 CV 1
OR { 292}
(( segid "B " and resid 16 and name HB ))
(( segid "B " and resid 16 and name HG23))
OR { 292}
(( segid "B " and resid 16 and name HB ))
(( segid "B " and resid 16 and name HG21))
ASSI { 360}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 17 and name HG21))
3.800 1.800 1.800 peak 360 weight 0.10000E+01 volume 0.16014E-02 ppm1 4.406 ppm2 0.867 CV 1
OR { 360}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 17 and name HG23))
OR { 360}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 17 and name HG22))
ASSI { 296}
(( segid "B " and resid 17 and name HA ))
(( segid "B " and resid 17 and name HB ))
2.600 0.900 0.900 peak 296 weight 0.10000E+01 volume 0.19417E-02 ppm1 4.138 ppm2 1.828 CV 1
ASSI { 298}
(( segid "B " and resid 17 and name HA ))
( segid "B " and resid 17 and name HG1%)
3.000 1.100 1.100 peak 298 weight 0.10000E+01 volume 0.14813E-02 ppm1 4.140 ppm2 1.143 CV 1
ASSI { 483}
(( segid "B " and resid 17 and name HA ))
(( segid "B " and resid 17 and name HG21))
3.100 1.200 1.200 peak 483 weight 0.10000E+01 volume 0.28225E-02 ppm1 4.136 ppm2 0.868 CV 1
OR { 483}
(( segid "B " and resid 17 and name HA ))
(( segid "B " and resid 17 and name HG23))
OR { 483}
(( segid "B " and resid 17 and name HA ))
(( segid "B " and resid 17 and name HG22))
ASSI { 384}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 14 and name HD11))
3.600 1.600 1.600 peak 384 weight 0.10000E+01 volume 0.18416E-02 ppm1 3.191 ppm2 0.945 CV 1
OR { 384}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 14 and name HD12))
ASSI { 15}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 14 and name HA ))
3.600 1.600 1.600 peak 15 weight 0.10000E+01 volume 0.98087E-03 ppm1 7.258 ppm2 4.443 CV 1
ASSI { 113}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 14 and name HD11))
2.800 1.000 1.000 peak 113 weight 0.10000E+01 volume 0.23220E-02 ppm1 7.319 ppm2 0.915 CV 1
OR { 113}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 14 and name HD12))
ASSI { 98}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 14 and name HG ))
2.100 2.100 3.900 peak 98 weight 0.10000E+01 volume 0.18416E-02 ppm1 7.323 ppm2 1.602 CV 1
ASSI { 381}
(( segid "B " and resid 18 and name HB1 ))
(( segid "B " and resid 15 and name HD13))
3.500 1.500 1.500 peak 381 weight 0.10000E+01 volume 0.22820E-02 ppm1 3.209 ppm2 0.861 CV 1
OR { 381}
(( segid "B " and resid 18 and name HB1 ))
(( segid "B " and resid 15 and name HD12))
OR { 381}
(( segid "B " and resid 18 and name HB1 ))
(( segid "B " and resid 15 and name HD11))
ASSI { 83}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HB ))
3.400 3.400 2.600 peak 83 weight 0.10000E+01 volume 0.18416E-02 ppm1 7.332 ppm2 1.835 CV 1
ASSI { 153}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HD13))
3.500 1.500 1.500 peak 153 weight 0.10000E+01 volume 0.26824E-02 ppm1 7.258 ppm2 0.839 CV 1
OR { 153}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HD12))
OR { 153}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 15 and name HD11))
ASSI { 413}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 18 and name HB2 ))
2.900 1.000 1.000 peak 413 weight 0.10000E+01 volume 0.14613E-02 ppm1 4.712 ppm2 3.158 CV 1
ASSI { 107}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 18 and name HB1 ))
2.800 1.000 1.000 peak 107 weight 0.10000E+01 volume 0.17015E-02 ppm1 7.316 ppm2 3.215 CV 1
ASSI { 487}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 15 and name HG22))
2.400 2.400 3.600 peak 487 weight 0.10000E+01 volume 0.84075E-03 ppm1 2.766 ppm2 0.905 CV 1
OR { 487}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 15 and name HG21))
OR { 487}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 15 and name HG23))
ASSI { 81}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 19 and name HB2 ))
3.500 1.600 1.600 peak 81 weight 0.10000E+01 volume 0.11610E-02 ppm1 7.330 ppm2 2.777 CV 1
ASSI { 418}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 19 and name HB2 ))
2.600 0.800 0.800 peak 418 weight 0.10000E+01 volume 0.28825E-02 ppm1 4.621 ppm2 2.746 CV 1
ASSI { 386}
(( segid "B " and resid 20 and name HD2 ))
(( segid "B " and resid 17 and name HD12))
2.900 1.000 1.000 peak 386 weight 0.10000E+01 volume 0.10209E-02 ppm1 3.190 ppm2 0.795 CV 1
ASSI { 243}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 19 and name HB1 ))
3.500 1.500 1.500 peak 243 weight 0.10000E+01 volume 0.12611E-02 ppm1 4.260 ppm2 2.718 CV 1
ASSI { 254}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 20 and name HB2 ))
1.800 1.800 4.200 peak 254 weight 0.10000E+01 volume 0.18596E-01 ppm1 4.242 ppm2 1.916 CV 1
ASSI { 408}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 21 and name HB1 ))
2.900 1.100 1.100 peak 408 weight 0.10000E+01 volume 0.15213E-02 ppm1 4.706 ppm2 1.845 CV 1
ASSI { 109}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 21 and name HB1 ))
3.500 1.500 1.500 peak 109 weight 0.10000E+01 volume 0.19017E-02 ppm1 7.319 ppm2 1.768 CV 1
ASSI { 112}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 21 and name HG2 ))
3.800 3.800 2.200 peak 112 weight 0.10000E+01 volume 0.11410E-02 ppm1 7.316 ppm2 1.368 CV 1
ASSI { 133}
(( segid "B " and resid 18 and name HD2 ))
(( segid "B " and resid 21 and name HG2 ))
3.600 3.600 2.400 peak 133 weight 0.10000E+01 volume 0.26222E-02 ppm1 7.265 ppm2 1.439 CV 1
ASSI { 434}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 21 and name HB1 ))
4.000 2.000 2.000 peak 434 weight 0.10000E+01 volume 0.86075E-03 ppm1 4.620 ppm2 1.828 CV 1
ASSI { 82}
(( segid "B " and resid 18 and name HD1 ))
(( segid "B " and resid 22 and name HG1 ))
4.000 2.000 2.000 peak 82 weight 0.10000E+01 volume 0.10409E-02 ppm1 7.332 ppm2 2.276 CV 1
ASSI { 245}
(( segid "B " and resid 20 and name HA ))
(( segid "B " and resid 22 and name HG1 ))
3.300 1.300 1.300 peak 245 weight 0.10000E+01 volume 0.12211E-02 ppm1 4.246 ppm2 2.232 CV 1
ASSI { 249}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 22 and name HG1 ))
3.200 1.300 1.300 peak 249 weight 0.10000E+01 volume 0.30827E-02 ppm1 4.238 ppm2 2.279 CV 1
ASSI { 13}
( segid "B " and resid 23 and name HD% )
(( segid "B " and resid 23 and name HA ))
3.000 1.100 1.100 peak 13 weight 0.10000E+01 volume 0.21018E-02 ppm1 7.265 ppm2 4.570 CV 1
ASSI { 74}
( segid "B " and resid 23 and name HE% )
(( segid "B " and resid 23 and name HB2 ))
4.200 2.200 1.800 peak 74 weight 0.10000E+01 volume 0.11610E-02 ppm1 7.353 ppm2 3.063 CV 1
ASSI { 209}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 24 and name HB3 ))
3.900 1.900 1.900 peak 209 weight 0.10000E+01 volume 0.15213E-02 ppm1 4.550 ppm2 1.399 CV 1
OR { 209}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 24 and name HB1 ))
OR { 209}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 24 and name HB2 ))
ASSI { 280}
(( segid "B " and resid 24 and name HA ))
(( segid "B " and resid 24 and name HB1 ))
2.100 0.600 0.600 peak 280 weight 0.10000E+01 volume 0.63256E-02 ppm1 4.201 ppm2 1.438 CV 1
OR { 280}
(( segid "B " and resid 24 and name HA ))
(( segid "B " and resid 24 and name HB2 ))
OR { 280}
(( segid "B " and resid 24 and name HA ))
(( segid "B " and resid 24 and name HB3 ))
ASSI { 205}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 25 and name HB2 ))
4.500 2.600 1.500 peak 205 weight 0.10000E+01 volume 0.16615E-02 ppm1 4.550 ppm2 1.792 CV 1
ASSI { 208}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 25 and name HD1 ))
3.400 1.400 1.400 peak 208 weight 0.10000E+01 volume 0.18016E-02 ppm1 4.552 ppm2 1.636 CV 1
ASSI { 206}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 25 and name HB2 ))
3.200 1.300 1.300 peak 206 weight 0.10000E+01 volume 0.11610E-02 ppm1 4.549 ppm2 1.775 CV 1
ASSI { 145}
( segid "B " and resid 26 and name HD% )
(( segid "B " and resid 25 and name HB2 ))
2.700 2.700 3.300 peak 145 weight 0.10000E+01 volume 0.23620E-02 ppm1 7.259 ppm2 1.796 CV 1
ASSI { 65}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 25 and name HD1 ))
2.000 2.000 4.000 peak 65 weight 0.10000E+01 volume 0.25623E-02 ppm1 7.358 ppm2 1.634 CV 1
ASSI { 751}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 22 and name HG2 ))
2.400 2.400 3.600 peak 751 weight 0.10000E+01 volume 0.88078E-03 ppm1 2.420 ppm2 2.182 CV 1
ASSI { 518}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 27 and name HG1 ))
3.700 1.700 1.700 peak 518 weight 0.10000E+01 volume 0.78068E-03 ppm1 4.543 ppm2 2.414 CV 1
ASSI { 253}
(( segid "B " and resid 24 and name HA ))
(( segid "B " and resid 27 and name HB2 ))
1.700 0.300 0.500 peak 253 weight 0.10000E+01 volume 0.32028E-02 ppm1 4.238 ppm2 2.011 CV 1
ASSI { 462}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 27 and name HG1 ))
4.000 2.000 2.000 peak 462 weight 0.10000E+01 volume 0.88078E-03 ppm1 7.359 ppm2 2.361 CV 1
ASSI { 517}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 27 and name HG2 ))
4.500 2.600 1.500 peak 517 weight 0.10000E+01 volume 0.70062E-03 ppm1 4.561 ppm2 2.281 CV 1
ASSI { 278}
(( segid "B " and resid 28 and name HA ))
(( segid "B " and resid 28 and name HB2 ))
2.800 1.000 1.000 peak 278 weight 0.10000E+01 volume 0.51646E-02 ppm1 4.201 ppm2 2.102 CV 1
ASSI { 284}
(( segid "B " and resid 28 and name HA ))
(( segid "B " and resid 28 and name HG2 ))
2.600 0.800 0.800 peak 284 weight 0.10000E+01 volume 0.45041E-02 ppm1 4.200 ppm2 2.367 CV 1
ASSI { 188}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 29 and name HB2 ))
3.000 1.100 1.100 peak 188 weight 0.10000E+01 volume 0.17415E-02 ppm1 4.561 ppm2 2.049 CV 1
ASSI { 279}
(( segid "B " and resid 29 and name HA ))
(( segid "B " and resid 29 and name HB2 ))
2.700 0.900 0.900 peak 279 weight 0.10000E+01 volume 0.65659E-02 ppm1 4.202 ppm2 2.052 CV 1
ASSI { 191}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 30 and name HB1 ))
4.300 2.400 1.700 peak 191 weight 0.10000E+01 volume 0.12811E-02 ppm1 4.562 ppm2 1.767 CV 1
ASSI { 281}
(( segid "B " and resid 30 and name HA ))
(( segid "B " and resid 30 and name HD2 ))
4.200 2.200 1.800 peak 281 weight 0.10000E+01 volume 0.12411E-02 ppm1 4.193 ppm2 3.107 CV 1
ASSI { 77}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 31 and name HB1 ))
3.800 1.800 1.800 peak 77 weight 0.10000E+01 volume 0.12811E-02 ppm1 7.356 ppm2 1.344 CV 1
OR { 77}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 31 and name HB3 ))
OR { 77}
( segid "B " and resid 26 and name HE% )
(( segid "B " and resid 31 and name HB2 ))
ASSI { 266}
(( segid "B " and resid 32 and name HA ))
(( segid "B " and resid 32 and name HD2 ))
2.200 0.600 0.600 peak 266 weight 0.10000E+01 volume 0.60653E-02 ppm1 4.229 ppm2 3.179 CV 1
ASSI { 263}
(( segid "B " and resid 32 and name HA ))
(( segid "B " and resid 32 and name HG2 ))
2.000 0.500 0.500 peak 263 weight 0.10000E+01 volume 0.10689E-01 ppm1 4.231 ppm2 1.639 CV 1
ASSI { 264}
(( segid "B " and resid 32 and name HA ))
(( segid "B " and resid 33 and name HB3 ))
3.800 1.800 1.800 peak 264 weight 0.10000E+01 volume 0.18416E-02 ppm1 4.235 ppm2 1.543 CV 1
OR { 264}
(( segid "B " and resid 32 and name HA ))
(( segid "B " and resid 33 and name HB1 ))
OR { 264}
(( segid "B " and resid 32 and name HA ))
(( segid "B " and resid 33 and name HB2 ))
ASSI { 256}
(( segid "B " and resid 31 and name HA ))
(( segid "B " and resid 34 and name HG1 ))
2.000 0.500 0.500 peak 256 weight 0.10000E+01 volume 0.10769E-01 ppm1 4.237 ppm2 1.309 CV 1
ASSI { 829}
(( segid "B " and resid 32 and name HB1 ))
(( segid "B " and resid 34 and name HG1 ))
3.700 1.700 1.700 peak 829 weight 0.10000E+01 volume 0.15814E-02 ppm1 1.873 ppm2 1.315 CV 1
ASSI { 135}
(( segid "B " and resid 35 and name HH2 ))
(( segid "B " and resid 31 and name HB1 ))
2.200 2.200 3.800 peak 135 weight 0.10000E+01 volume 0.16214E-02 ppm1 7.263 ppm2 1.346 CV 1
OR { 135}
(( segid "B " and resid 35 and name HH2 ))
(( segid "B " and resid 31 and name HB2 ))
OR { 135}
(( segid "B " and resid 35 and name HH2 ))
(( segid "B " and resid 31 and name HB3 ))
ASSI { 475}
(( segid "B " and resid 35 and name HZ2 ))
(( segid "B " and resid 31 and name HB1 ))
3.500 1.600 1.600 peak 475 weight 0.10000E+01 volume 0.64056E-03 ppm1 7.510 ppm2 1.357 CV 1
OR { 475}
(( segid "B " and resid 35 and name HZ2 ))
(( segid "B " and resid 31 and name HB2 ))
ASSI { 579}
(( segid "B " and resid 35 and name HB2 ))
(( segid "B " and resid 32 and name HD2 ))
3.200 1.300 1.300 peak 579 weight 0.10000E+01 volume 0.66059E-03 ppm1 3.338 ppm2 3.165 CV 1
ASSI { 130}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HB1 ))
3.800 1.800 1.800 peak 130 weight 0.10000E+01 volume 0.24222E-02 ppm1 7.262 ppm2 1.827 CV 1
ASSI { 146}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 32 and name HB2 ))
3.800 1.800 1.800 peak 146 weight 0.10000E+01 volume 0.26023E-02 ppm1 7.261 ppm2 1.770 CV 1
ASSI { 420}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 32 and name HA ))
3.800 1.800 1.800 peak 420 weight 0.10000E+01 volume 0.82072E-03 ppm1 7.662 ppm2 4.237 CV 1
ASSI { 497}
(( segid "B " and resid 35 and name HZ2 ))
(( segid "B " and resid 32 and name HD2 ))
2.500 2.500 3.500 peak 497 weight 0.10000E+01 volume 0.60052E-03 ppm1 7.510 ppm2 3.160 CV 1
ASSI { 47}
(( segid "B " and resid 35 and name HZ2 ))
(( segid "B " and resid 32 and name HG2 ))
2.300 2.300 3.700 peak 47 weight 0.10000E+01 volume 0.10009E-02 ppm1 7.511 ppm2 1.629 CV 1
ASSI { 286}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 35 and name HB2 ))
3.600 1.600 1.600 peak 286 weight 0.10000E+01 volume 0.20418E-02 ppm1 4.183 ppm2 3.306 CV 1
ASSI { 331}
(( segid "B " and resid 35 and name HB2 ))
(( segid "B " and resid 33 and name HB1 ))
3.100 3.100 2.900 peak 331 weight 0.10000E+01 volume 0.82273E-02 ppm1 3.334 ppm2 1.524 CV 1
OR { 331}
(( segid "B " and resid 35 and name HB2 ))
(( segid "B " and resid 33 and name HB2 ))
OR { 331}
(( segid "B " and resid 35 and name HB2 ))
(( segid "B " and resid 33 and name HB3 ))
ASSI { 335}
(( segid "B " and resid 35 and name HB2 ))
(( segid "B " and resid 34 and name HB2 ))
3.600 1.600 1.600 peak 335 weight 0.10000E+01 volume 0.17615E-02 ppm1 3.304 ppm2 1.702 CV 1
ASSI { 499}
(( segid "B " and resid 35 and name HE3 ))
(( segid "B " and resid 34 and name HB2 ))
3.300 1.400 1.400 peak 499 weight 0.10000E+01 volume 0.64056E-03 ppm1 7.665 ppm2 1.697 CV 1
ASSI { 136}
(( segid "B " and resid 35 and name HH2 ))
(( segid "B " and resid 34 and name HG1 ))
2.000 2.000 4.000 peak 136 weight 0.10000E+01 volume 0.26023E-02 ppm1 7.266 ppm2 1.309 CV 1
ASSI { 166}
(( segid "B " and resid 35 and name HZ3 ))
(( segid "B " and resid 34 and name HB2 ))
3.200 1.300 1.300 peak 166 weight 0.10000E+01 volume 0.96084E-03 ppm1 7.177 ppm2 1.686 CV 1
ASSI { 174}
(( segid "B " and resid 35 and name HZ3 ))
(( segid "B " and resid 34 and name HD2 ))
2.400 2.400 3.600 peak 174 weight 0.10000E+01 volume 0.92082E-03 ppm1 7.143 ppm2 1.620 CV 1
ASSI { 415}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 35 and name HB2 ))
3.000 1.100 1.100 peak 415 weight 0.10000E+01 volume 0.39034E-02 ppm1 4.708 ppm2 3.292 CV 1
ASSI { 423}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 35 and name HA ))
4.300 2.300 1.700 peak 423 weight 0.10000E+01 volume 0.88078E-03 ppm1 7.269 ppm2 4.704 CV 1
ASSI { 636}
(( segid "B " and resid 32 and name HD2 ))
(( segid "B " and resid 36 and name HB2 ))
3.300 1.300 1.300 peak 636 weight 0.10000E+01 volume 0.12411E-02 ppm1 3.180 ppm2 2.538 CV 1
ASSI { 261}
(( segid "B " and resid 34 and name HA ))
(( segid "B " and resid 36 and name HB2 ))
3.500 1.600 1.600 peak 261 weight 0.10000E+01 volume 0.13612E-02 ppm1 4.231 ppm2 2.537 CV 1
ASSI { 719}
(( segid "B " and resid 36 and name HB2 ))
(( segid "B " and resid 34 and name HG1 ))
2.500 2.500 3.500 peak 719 weight 0.10000E+01 volume 0.74066E-03 ppm1 2.530 ppm2 1.311 CV 1
ASSI { 193}
(( segid "B " and resid 36 and name HA ))
(( segid "B " and resid 35 and name HB2 ))
3.300 1.400 1.400 peak 193 weight 0.10000E+01 volume 0.12811E-02 ppm1 4.555 ppm2 3.305 CV 1
ASSI { 124}
(( segid "B " and resid 35 and name HD1 ))
(( segid "B " and resid 36 and name HB2 ))
4.300 2.300 1.700 peak 124 weight 0.10000E+01 volume 0.98087E-03 ppm1 7.267 ppm2 2.531 CV 1
ASSI { 60}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 11 and name HB2 ))
3.700 1.700 1.700 peak 60 weight 0.10000E+01 volume 0.80071E-03 ppm1 7.357 ppm2 1.873 CV 1
OR { 60}
( segid "A " and resid 7 and name HE% )
(( segid "A " and resid 11 and name HB1 ))
ASSI { 167}
(( segid "A " and resid 11 and name HH21))
(( segid "A " and resid 11 and name HE ))
3.100 1.200 1.200 peak 167 weight 0.10000E+01 volume 0.92082E-03 ppm1 7.152 ppm2 3.198 CV 1
OR { 167}
(( segid "A " and resid 11 and name HH21))
(( segid "A " and resid 11 and name HD2 ))
ASSI { 192}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 8 and name HG2 ))
4.000 2.000 2.000 peak 192 weight 0.10000E+01 volume 0.10609E-02 ppm1 4.560 ppm2 1.321 CV 1
ASSI { 353}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 14 and name HD11))
3.000 1.100 1.100 peak 353 weight 0.10000E+01 volume 0.12211E-02 ppm1 4.509 ppm2 0.977 CV 1
ASSI { 361}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 15 and name HG21))
3.900 1.900 1.900 peak 361 weight 0.10000E+01 volume 0.10409E-02 ppm1 4.373 ppm2 0.906 CV 1
OR { 361}
(( segid "B " and resid 16 and name HA ))
(( segid "B " and resid 15 and name HD11))
ASSI { 405}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 21 and name HD1 ))
2.800 1.000 1.000 peak 405 weight 0.10000E+01 volume 0.23421E-02 ppm1 4.706 ppm2 1.668 CV 1
ASSI { 410}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 11 and name HB2 ))
3.800 1.800 1.800 peak 410 weight 0.10000E+01 volume 0.14012E-02 ppm1 4.703 ppm2 1.895 CV 1
OR { 410}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 11 and name HB1 ))
ASSI { 421}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 17 and name HG21))
4.000 2.000 2.000 peak 421 weight 0.10000E+01 volume 0.13412E-02 ppm1 4.706 ppm2 0.864 CV 1
ASSI { 431}
(( segid "B " and resid 16 and name HA ))
(( segid "A " and resid 8 and name HA ))
2.900 1.000 1.000 peak 431 weight 0.10000E+01 volume 0.10209E-02 ppm1 4.371 ppm2 4.199 CV 1
ASSI { 451}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "B " and resid 17 and name HG21))
3.800 1.800 1.800 peak 451 weight 0.10000E+01 volume 0.82072E-03 ppm1 7.513 ppm2 0.838 CV 1
OR { 451}
(( segid "A " and resid 2 and name HZ2 ))
(( segid "B " and resid 17 and name HD11))
ASSI { 466}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "A " and resid 7 and name HB1 ))
4.200 2.200 1.800 peak 466 weight 0.10000E+01 volume 0.82072E-03 ppm1 7.186 ppm2 3.109 CV 1
ASSI { 481}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "B " and resid 17 and name HG21))
3.600 1.600 1.600 peak 481 weight 0.10000E+01 volume 0.74066E-03 ppm1 7.136 ppm2 0.847 CV 1
OR { 481}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "B " and resid 17 and name HD11))
ASSI { 502}
(( segid "A " and resid 3 and name HN ))
( segid "A " and resid 4 and name HG2%)
3.900 1.900 1.900 peak 502 weight 0.10000E+01 volume 0.72063E-03 ppm1 7.663 ppm2 0.944 CV 1
ASSI { 526}
(( segid "A " and resid 4 and name HB ))
(( segid "B " and resid 17 and name HG21))
4.100 2.100 1.900 peak 526 weight 0.10000E+01 volume 0.82072E-03 ppm1 2.082 ppm2 0.819 CV 1
OR { 526}
(( segid "A " and resid 4 and name HB ))
(( segid "B " and resid 17 and name HD11))
ASSI { 534}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 15 and name HD11))
4.600 2.600 1.400 peak 534 weight 0.10000E+01 volume 0.90079E-03 ppm1 4.561 ppm2 0.842 CV 1
ASSI { 543}
(( segid "A " and resid 8 and name HA ))
(( segid "B " and resid 15 and name HG21))
2.700 0.900 0.900 peak 543 weight 0.10000E+01 volume 0.20418E-02 ppm1 4.240 ppm2 0.865 CV 1
OR { 543}
(( segid "A " and resid 8 and name HA ))
(( segid "B " and resid 15 and name HD11))
ASSI { 545}
(( segid "B " and resid 16 and name HB ))
(( segid "B " and resid 17 and name HG21))
3.300 1.400 1.400 peak 545 weight 0.10000E+01 volume 0.70062E-03 ppm1 4.204 ppm2 0.808 CV 1
ASSI { 546}
(( segid "A " and resid 8 and name HA ))
(( segid "B " and resid 17 and name HG21))
4.200 2.200 1.800 peak 546 weight 0.10000E+01 volume 0.10209E-02 ppm1 4.237 ppm2 0.802 CV 1
ASSI { 548}
(( segid "A " and resid 9 and name HA ))
( segid "B " and resid 15 and name HG1%)
3.500 1.500 1.500 peak 548 weight 0.10000E+01 volume 0.82072E-03 ppm1 4.305 ppm2 1.200 CV 1
ASSI { 555}
(( segid "B " and resid 36 and name HA ))
(( segid "B " and resid 33 and name HB1 ))
5.100 3.200 0.900 peak 555 weight 0.10000E+01 volume 0.68060E-03 ppm1 4.558 ppm2 1.476 CV 1
ASSI { 564}
(( segid "A " and resid 5 and name HA1 ))
(( segid "A " and resid 1 and name HE1 ))
4.500 2.500 1.500 peak 564 weight 0.10000E+01 volume 0.70062E-03 ppm1 3.930 ppm2 2.078 CV 1
ASSI { 569}
(( segid "B " and resid 35 and name HB2 ))
(( segid "B " and resid 34 and name HG1 ))
4.400 2.500 1.600 peak 569 weight 0.10000E+01 volume 0.72063E-03 ppm1 3.310 ppm2 1.315 CV 1
ASSI { 572}
(( segid "B " and resid 35 and name HB2 ))
(( segid "B " and resid 32 and name HB1 ))
4.400 2.400 1.600 peak 572 weight 0.10000E+01 volume 0.82072E-03 ppm1 3.303 ppm2 1.803 CV 1
OR { 572}
(( segid "B " and resid 35 and name HB2 ))
(( segid "B " and resid 32 and name HB2 ))
ASSI { 573}
(( segid "B " and resid 35 and name HB2 ))
(( segid "B " and resid 32 and name HB2 ))
4.800 2.800 1.200 peak 573 weight 0.10000E+01 volume 0.68060E-03 ppm1 3.296 ppm2 1.771 CV 1
ASSI { 577}
(( segid "A " and resid 2 and name HB2 ))
(( segid "A " and resid 7 and name HB2 ))
4.400 2.500 1.600 peak 577 weight 0.10000E+01 volume 0.13812E-02 ppm1 3.304 ppm2 3.005 CV 1
ASSI { 581}
(( segid "B " and resid 18 and name HB1 ))
(( segid "B " and resid 18 and name HB2 ))
2.000 0.500 0.500 peak 581 weight 0.10000E+01 volume 0.52047E-02 ppm1 3.259 ppm2 3.175 CV 1
ASSI { 590}
(( segid "A " and resid 7 and name HB1 ))
(( segid "B " and resid 17 and name HG21))
4.200 2.200 1.800 peak 590 weight 0.10000E+01 volume 0.66059E-03 ppm1 3.093 ppm2 0.833 CV 1
OR { 590}
(( segid "A " and resid 7 and name HB1 ))
(( segid "B " and resid 17 and name HD11))
ASSI { 592}
(( segid "A " and resid 3 and name HE1 ))
(( segid "B " and resid 17 and name HD11))
3.300 1.400 1.400 peak 592 weight 0.10000E+01 volume 0.70062E-03 ppm1 2.891 ppm2 0.857 CV 1
ASSI { 594}
(( segid "A " and resid 9 and name HD2 ))
(( segid "A " and resid 8 and name HG2 ))
2.700 0.900 0.900 peak 594 weight 0.10000E+01 volume 0.94083E-03 ppm1 3.173 ppm2 1.312 CV 1
OR { 594}
(( segid "A " and resid 9 and name HD1 ))
(( segid "A " and resid 8 and name HG2 ))
ASSI { 604}
(( segid "B " and resid 32 and name HD2 ))
(( segid "B " and resid 33 and name HB1 ))
3.600 1.600 1.600 peak 604 weight 0.10000E+01 volume 0.78068E-03 ppm1 3.187 ppm2 1.472 CV 1
ASSI { 637}
(( segid "B " and resid 18 and name HB1 ))
(( segid "B " and resid 19 and name HB1 ))
3.700 1.700 1.700 peak 637 weight 0.10000E+01 volume 0.11810E-02 ppm1 3.186 ppm2 2.650 CV 1
OR { 637}
(( segid "B " and resid 18 and name HB2 ))
(( segid "B " and resid 19 and name HB1 ))
ASSI { 644}
(( segid "A " and resid 7 and name HB2 ))
(( segid "A " and resid 3 and name HD1 ))
3.800 1.800 1.800 peak 644 weight 0.10000E+01 volume 0.23421E-02 ppm1 2.993 ppm2 1.531 CV 1
ASSI { 645}
(( segid "B " and resid 12 and name HE2 ))
(( segid "B " and resid 12 and name HG2 ))
2.900 1.100 1.100 peak 645 weight 0.10000E+01 volume 0.38835E-02 ppm1 3.017 ppm2 1.447 CV 1
ASSI { 648}
(( segid "A " and resid 8 and name HE2 ))
(( segid "A " and resid 8 and name HG2 ))
2.900 1.100 1.100 peak 648 weight 0.10000E+01 volume 0.37632E-02 ppm1 2.956 ppm2 1.307 CV 1
ASSI { 649}
(( segid "A " and resid 3 and name HE1 ))
(( segid "B " and resid 12 and name HG2 ))
4.000 2.000 2.000 peak 649 weight 0.10000E+01 volume 0.72063E-03 ppm1 2.879 ppm2 1.459 CV 1
ASSI { 652}
(( segid "B " and resid 19 and name HB1 ))
(( segid "B " and resid 24 and name HB1 ))
3.200 1.300 1.300 peak 652 weight 0.10000E+01 volume 0.68060E-03 ppm1 2.724 ppm2 1.466 CV 1
ASSI { 656}
(( segid "B " and resid 15 and name HB ))
(( segid "B " and resid 15 and name HD11))
3.400 1.400 1.400 peak 656 weight 0.10000E+01 volume 0.29426E-02 ppm1 1.826 ppm2 0.835 CV 1
ASSI { 665}
(( segid "B " and resid 12 and name HG2 ))
( segid "A " and resid 4 and name HG2%)
3.700 1.700 1.700 peak 665 weight 0.10000E+01 volume 0.14613E-02 ppm1 1.442 ppm2 0.955 CV 1
OR { 665}
(( segid "B " and resid 12 and name HG2 ))
( segid "A " and resid 4 and name HG1%)
ASSI { 669}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 17 and name HG21))
2.300 0.700 0.700 peak 669 weight 0.10000E+01 volume 0.29426E-02 ppm1 1.399 ppm2 0.839 CV 1
ASSI { 676}
(( segid "B " and resid 12 and name HG2 ))
( segid "A " and resid 4 and name HG1%)
4.500 2.500 1.500 peak 676 weight 0.10000E+01 volume 0.62055E-03 ppm1 1.446 ppm2 1.023 CV 1
ASSI { 677}
(( segid "B " and resid 13 and name HG ))
(( segid "B " and resid 17 and name HG21))
3.500 1.600 1.600 peak 677 weight 0.10000E+01 volume 0.92082E-03 ppm1 1.621 ppm2 0.806 CV 1
ASSI { 678}
(( segid "B " and resid 12 and name HD2 ))
(( segid "B " and resid 17 and name HG21))
3.700 1.700 1.700 peak 678 weight 0.10000E+01 volume 0.86075E-03 ppm1 1.727 ppm2 0.806 CV 1
ASSI { 685}
(( segid "A " and resid 8 and name HB1 ))
( segid "A " and resid 4 and name HG1%)
4.800 2.800 1.200 peak 685 weight 0.10000E+01 volume 0.66059E-03 ppm1 1.799 ppm2 0.984 CV 1
ASSI { 686}
(( segid "A " and resid 3 and name HD1 ))
(( segid "A " and resid 3 and name HG2 ))
2.400 0.700 0.700 peak 686 weight 0.10000E+01 volume 0.81472E-02 ppm1 1.546 ppm2 1.074 CV 1
ASSI { 687}
(( segid "A " and resid 3 and name HB2 ))
(( segid "A " and resid 3 and name HG2 ))
2.100 0.600 0.600 peak 687 weight 0.10000E+01 volume 0.88478E-02 ppm1 1.697 ppm2 1.083 CV 1
ASSI { 690}
(( segid "B " and resid 12 and name HG2 ))
(( segid "B " and resid 16 and name HG21))
3.600 1.600 1.600 peak 690 weight 0.10000E+01 volume 0.90079E-03 ppm1 1.447 ppm2 1.104 CV 1
ASSI { 691}
(( segid "B " and resid 12 and name HG2 ))
(( segid "A " and resid 3 and name HG2 ))
4.300 2.300 1.700 peak 691 weight 0.10000E+01 volume 0.84075E-03 ppm1 1.446 ppm2 1.064 CV 1
ASSI { 697}
(( segid "B " and resid 15 and name HB ))
( segid "B " and resid 15 and name HG1%)
3.000 1.100 1.100 peak 697 weight 0.10000E+01 volume 0.14613E-02 ppm1 1.823 ppm2 1.142 CV 1
ASSI { 704}
(( segid "A " and resid 3 and name HB2 ))
(( segid "A " and resid 3 and name HD1 ))
2.300 2.300 3.700 peak 704 weight 0.10000E+01 volume 0.29126E-01 ppm1 1.698 ppm2 1.536 CV 1
ASSI { 708}
(( segid "B " and resid 13 and name HB2 ))
(( segid "B " and resid 12 and name HG2 ))
3.000 1.200 1.200 peak 708 weight 0.10000E+01 volume 0.26023E-02 ppm1 1.554 ppm2 1.450 CV 1
OR { 708}
(( segid "B " and resid 13 and name HG ))
(( segid "B " and resid 12 and name HG2 ))
ASSI { 717}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 31 and name HB1 ))
3.000 1.100 1.100 peak 717 weight 0.10000E+01 volume 0.14813E-02 ppm1 2.282 ppm2 1.393 CV 1
ASSI { 718}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 24 and name HB1 ))
4.400 2.400 1.600 peak 718 weight 0.10000E+01 volume 0.82072E-03 ppm1 2.282 ppm2 1.436 CV 1
ASSI { 736}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 32 and name HB1 ))
4.400 2.500 1.600 peak 736 weight 0.10000E+01 volume 0.74066E-03 ppm1 2.276 ppm2 1.844 CV 1
ASSI { 737}
(( segid "A " and resid 1 and name HG2 ))
(( segid "A " and resid 1 and name HE1 ))
2.700 0.900 0.900 peak 737 weight 0.10000E+01 volume 0.30226E-02 ppm1 2.423 ppm2 2.087 CV 1
ASSI { 741}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 27 and name HB1 ))
3.500 1.500 1.500 peak 741 weight 0.10000E+01 volume 0.86075E-03 ppm1 2.350 ppm2 1.969 CV 1
ASSI { 743}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 27 and name HB1 ))
3.000 1.100 1.100 peak 743 weight 0.10000E+01 volume 0.20218E-02 ppm1 2.283 ppm2 1.974 CV 1
ASSI { 746}
(( segid "B " and resid 22 and name HG2 ))
(( segid "B " and resid 22 and name HB1 ))
3.800 1.800 1.800 peak 746 weight 0.10000E+01 volume 0.76067E-03 ppm1 2.173 ppm2 1.966 CV 1
ASSI { 747}
(( segid "B " and resid 22 and name HG1 ))
(( segid "B " and resid 22 and name HG2 ))
2.700 0.900 0.900 peak 747 weight 0.10000E+01 volume 0.90079E-03 ppm1 2.272 ppm2 2.150 CV 1
ASSI { 748}
(( segid "B " and resid 29 and name HG2 ))
(( segid "B " and resid 28 and name HB2 ))
3.300 1.300 1.300 peak 748 weight 0.10000E+01 volume 0.78068E-03 ppm1 2.286 ppm2 2.120 CV 1
ASSI { 753}
(( segid "B " and resid 27 and name HG1 ))
(( segid "B " and resid 27 and name HG2 ))
2.400 0.700 0.700 peak 753 weight 0.10000E+01 volume 0.15414E-02 ppm1 2.422 ppm2 2.271 CV 1
ASSI { 755}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 27 and name HG2 ))
4.000 2.000 2.000 peak 755 weight 0.10000E+01 volume 0.82072E-03 ppm1 2.331 ppm2 2.212 CV 1
ASSI { 761}
(( segid "B " and resid 19 and name HB1 ))
(( segid "B " and resid 20 and name HG2 ))
4.100 2.100 1.900 peak 761 weight 0.10000E+01 volume 0.70062E-03 ppm1 2.715 ppm2 1.641 CV 1
ASSI { 767}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 8 and name HB1 ))
3.500 1.500 1.500 peak 767 weight 0.10000E+01 volume 0.76067E-03 ppm1 2.833 ppm2 1.761 CV 1
ASSI { 770}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 19 and name HB1 ))
2.400 0.700 0.700 peak 770 weight 0.10000E+01 volume 0.14012E-02 ppm1 2.786 ppm2 2.647 CV 1
ASSI { 773}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 22 and name HG1 ))
4.000 2.000 2.000 peak 773 weight 0.10000E+01 volume 0.82072E-03 ppm1 2.756 ppm2 2.216 CV 1
OR { 773}
(( segid "B " and resid 19 and name HB2 ))
(( segid "B " and resid 22 and name HG2 ))
ASSI { 775}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 8 and name HG2 ))
4.600 2.700 1.400 peak 775 weight 0.10000E+01 volume 0.78068E-03 ppm1 2.889 ppm2 1.343 CV 1
ASSI { 783}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 3 and name HE1 ))
4.400 2.500 1.600 peak 783 weight 0.10000E+01 volume 0.66059E-03 ppm1 4.037 ppm2 2.924 CV 1
ASSI { 793}
(( segid "B " and resid 15 and name HA ))
(( segid "B " and resid 19 and name HB2 ))
3.500 1.500 1.500 peak 793 weight 0.10000E+01 volume 0.74066E-03 ppm1 4.149 ppm2 2.737 CV 1
OR { 793}
(( segid "B " and resid 15 and name HA ))
(( segid "B " and resid 19 and name HB1 ))
ASSI { 796}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 12 and name HD2 ))
3.600 1.600 1.600 peak 796 weight 0.10000E+01 volume 0.84075E-03 ppm1 4.438 ppm2 1.743 CV 1
ASSI { 798}
(( segid "A " and resid 2 and name HE3 ))
(( segid "B " and resid 17 and name HD11))
4.700 2.800 1.300 peak 798 weight 0.10000E+01 volume 0.48043E-03 ppm1 7.597 ppm2 0.863 CV 1
OR { 798}
(( segid "A " and resid 2 and name HE3 ))
(( segid "B " and resid 17 and name HG21))
ASSI { 799}
(( segid "A " and resid 2 and name HZ3 ))
(( segid "B " and resid 12 and name HG2 ))
3.600 1.700 1.700 peak 799 weight 0.10000E+01 volume 0.66059E-03 ppm1 7.143 ppm2 1.436 CV 1
ASSI { 806}
( segid "A " and resid 7 and name HE% )
(( segid "B " and resid 16 and name HA ))
4.500 2.600 1.500 peak 806 weight 0.10000E+01 volume 0.46040E-03 ppm1 7.324 ppm2 4.399 CV 1
OR { 806}
(( segid "A " and resid 7 and name HZ ))
(( segid "B " and resid 16 and name HA ))
ASSI { 811}
(( segid "A " and resid 4 and name HB ))
(( segid "B " and resid 12 and name HG2 ))
3.400 1.400 1.400 peak 811 weight 0.10000E+01 volume 0.15213E-02 ppm1 2.107 ppm2 1.442 CV 1
ASSI { 821}
(( segid "B " and resid 27 and name HB1 ))
(( segid "B " and resid 32 and name HB2 ))
3.300 1.300 1.300 peak 821 weight 0.10000E+01 volume 0.10609E-02 ppm1 1.981 ppm2 1.738 CV 1
OR { 821}
(( segid "B " and resid 27 and name HB2 ))
(( segid "B " and resid 32 and name HB2 ))
ASSI { 822}
(( segid "B " and resid 27 and name HB1 ))
(( segid "B " and resid 32 and name HB1 ))
3.800 1.800 1.800 peak 822 weight 0.10000E+01 volume 0.13011E-02 ppm1 1.995 ppm2 1.834 CV 1
OR { 822}
(( segid "B " and resid 27 and name HB2 ))
(( segid "B " and resid 32 and name HB1 ))
ASSI { 823}
(( segid "B " and resid 20 and name HB2 ))
(( segid "B " and resid 20 and name HG2 ))
3.600 1.600 1.600 peak 823 weight 0.10000E+01 volume 0.86075E-03 ppm1 1.962 ppm2 1.660 CV 1
ASSI { 831}
(( segid "B " and resid 27 and name HG2 ))
(( segid "B " and resid 27 and name HB2 ))
2.600 0.900 0.900 peak 831 weight 0.10000E+01 volume 0.32828E-02 ppm1 2.282 ppm2 2.039 CV 1
ASSI { 840}
(( segid "A " and resid 2 and name HB2 ))
(( segid "B " and resid 17 and name HD11))
4.800 2.800 1.200 peak 840 weight 0.10000E+01 volume 0.68060E-03 ppm1 3.311 ppm2 0.897 CV 1
ASSI { 856}
(( segid "A " and resid 3 and name HG2 ))
(( segid "B " and resid 17 and name HD11))
4.300 2.300 1.700 peak 856 weight 0.10000E+01 volume 0.86075E-03 ppm1 1.060 ppm2 0.900 CV 1
ASSI { 861}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 25 and name HG1 ))
3.700 1.700 1.700 peak 861 weight 0.10000E+01 volume 0.66059E-03 ppm1 4.505 ppm2 1.402 CV 1
Contact the webmaster for help, if required. Thursday, May 2, 2024 6:55:07 AM GMT (wattos1)