NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
18242 |
2djy   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! unambiguous NOEs assigned by ARIA1.2
ASSI { 1}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 319 and name HD21))
3.600 1.000 1.000 peak 1 spectrum 1 weight 0.11000E+01 volume 0.99430E-03 ppm1 7.105 ppm2 7.816 CV 1
ASSI { 1}
(( segid A and resid 303 and name HZ2 ))
(( segid A and resid 303 and name HD1 ))
4.100 1.100 1.100 peak 1 spectrum 1 weight 0.10000E+01 volume 0.72132E-03 ppm1 7.368 ppm2 7.104 CV 1
OR { 1}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 303 and name HD1 ))
ASSI { 2}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 303 and name HN ))
2.500 0.800 0.800 peak 2 spectrum 1 weight 0.11000E+01 volume 0.36623E-02 ppm1 7.106 ppm2 7.686 CV 1
ASSI { 3}
(( segid A and resid 303 and name HA ))
(( segid A and resid 303 and name HD1 ))
3.800 1.100 1.100 peak 3 spectrum 1 weight 0.10000E+01 volume 0.63465E-03 ppm1 6.107 ppm2 7.107 CV 1
ASSI { 4}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 303 and name HE1 ))
2.200 0.700 0.700 peak 4 spectrum 1 weight 0.11000E+01 volume 0.91280E-02 ppm1 7.106 ppm2 10.166 CV 1
ASSI { 5}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 301 and name HA ))
3.500 3.500 2.500 peak 5 spectrum 1 weight 0.11000E+01 volume 0.43141E-03 ppm1 7.106 ppm2 4.519 CV 1
ASSI { 6}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 302 and name HA2 ))
3.600 1.000 1.000 peak 6 spectrum 1 weight 0.11000E+01 volume 0.81013E-03 ppm1 7.106 ppm2 4.272 CV 1
ASSI { 9}
(( segid A and resid 303 and name HB2 ))
(( segid A and resid 303 and name HD1 ))
2.800 0.900 0.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.14549E-02 ppm1 3.151 ppm2 7.105 CV 1
ASSI { 10}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 328 and name HD2 ))
3.900 3.900 2.100 peak 10 spectrum 1 weight 0.11000E+01 volume 0.13706E-02 ppm1 7.108 ppm2 2.772 CV 1
ASSI { 11}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 300 and name HB3 ))
4.000 1.100 1.100 peak 11 spectrum 1 weight 0.11000E+01 volume 0.23147E-02 ppm1 7.105 ppm2 2.458 CV 1
ASSI { 12}
(( segid A and resid 300 and name HB2 ))
(( segid A and resid 303 and name HD1 ))
2.100 0.700 0.700 peak 12 spectrum 1 weight 0.10000E+01 volume 0.57593E-02 ppm1 1.906 ppm2 7.106 CV 1
ASSI { 13}
(( segid A and resid 300 and name HG2 ))
(( segid A and resid 303 and name HD1 ))
2.800 0.900 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.18831E-02 ppm1 1.264 ppm2 7.105 CV 1
ASSI { 14}
(( segid A and resid 301 and name HD3 ))
(( segid A and resid 303 and name HD1 ))
5.700 1.400 0.300 peak 14 spectrum 1 weight 0.10000E+01 volume 0.53409E-03 ppm1 3.687 ppm2 7.107 CV 1
ASSI { 15}
(( segid A and resid 300 and name HG3 ))
(( segid A and resid 303 and name HD1 ))
4.400 1.200 1.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.12360E-02 ppm1 1.658 ppm2 7.106 CV 1
ASSI { 16}
(( segid A and resid 303 and name HD1 ))
( segid A and resid 299 and name HD2%)
4.300 1.200 1.200 peak 16 spectrum 1 weight 0.11000E+01 volume 0.66116E-03 ppm1 7.104 ppm2 0.854 CV 1
ASSI { 17}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 324 and name HE21))
4.600 1.200 1.200 peak 17 spectrum 1 weight 0.11000E+01 volume 0.44154E-03 ppm1 0.907 ppm2 8.049 CV 1
ASSI { 19}
(( segid A and resid 303 and name HZ2 ))
(( segid A and resid 328 and name HB3 ))
3.500 1.000 1.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.81739E-03 ppm1 7.382 ppm2 0.889 CV 1
OR { 19}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 328 and name HB3 ))
ASSI { 20}
(( segid A and resid 324 and name HE22))
(( segid A and resid 328 and name HB3 ))
3.400 1.000 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.82669E-03 ppm1 7.250 ppm2 0.888 CV 1
ASSI { 22}
(( segid A and resid 329 and name HN ))
(( segid A and resid 328 and name HB2 ))
3.800 1.100 1.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.52876E-03 ppm1 8.531 ppm2 0.825 CV 1
ASSI { 23}
(( segid A and resid 328 and name HB2 ))
(( segid A and resid 324 and name HE22))
4.500 1.200 1.200 peak 23 spectrum 1 weight 0.11000E+01 volume 0.68412E-03 ppm1 0.834 ppm2 7.256 CV 1
ASSI { 24}
(( segid A and resid 303 and name HZ2 ))
(( segid A and resid 328 and name HB2 ))
4.600 1.200 1.200 peak 24 spectrum 1 weight 0.10000E+01 volume 0.50473E-03 ppm1 7.402 ppm2 0.823 CV 1
OR { 24}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 328 and name HB2 ))
ASSI { 26}
(( segid A and resid 328 and name HA ))
(( segid A and resid 328 and name HB3 ))
2.400 0.800 0.800 peak 26 spectrum 1 weight 0.10000E+01 volume 0.59472E-02 ppm1 3.951 ppm2 0.891 CV 1
ASSI { 28}
(( segid A and resid 328 and name HD3 ))
(( segid A and resid 328 and name HB3 ))
3.000 0.900 0.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.15664E-02 ppm1 2.608 ppm2 0.896 CV 1
ASSI { 29}
(( segid A and resid 300 and name HG3 ))
(( segid A and resid 328 and name HB3 ))
4.600 1.200 1.200 peak 29 spectrum 1 weight 0.10000E+01 volume 0.96141E-03 ppm1 1.647 ppm2 0.887 CV 1
ASSI { 30}
(( segid A and resid 300 and name HG2 ))
(( segid A and resid 328 and name HB3 ))
3.800 1.100 1.100 peak 30 spectrum 1 weight 0.10000E+01 volume 0.10173E-02 ppm1 1.265 ppm2 0.892 CV 1
ASSI { 33}
(( segid A and resid 328 and name HB2 ))
(( segid A and resid 300 and name HG2 ))
3.200 0.900 0.900 peak 33 spectrum 1 weight 0.11000E+01 volume 0.66989E-03 ppm1 0.839 ppm2 1.262 CV 1
ASSI { 34}
(( segid A and resid 328 and name HA ))
(( segid A and resid 328 and name HB2 ))
2.900 0.900 0.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.39550E-02 ppm1 3.952 ppm2 0.820 CV 1
ASSI { 35}
(( segid A and resid 328 and name HD3 ))
(( segid A and resid 328 and name HB2 ))
4.100 1.100 1.100 peak 35 spectrum 1 weight 0.10000E+01 volume 0.90002E-03 ppm1 2.603 ppm2 0.823 CV 1
ASSI { 37}
(( segid A and resid 328 and name HG3 ))
(( segid A and resid 328 and name HB3 ))
2.300 0.800 0.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.51989E-02 ppm1 0.544 ppm2 0.891 CV 1
ASSI { 38}
(( segid A and resid 328 and name HG3 ))
(( segid A and resid 328 and name HB2 ))
2.800 0.900 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.34060E-02 ppm1 0.543 ppm2 0.824 CV 1
ASSI { 39}
(( segid A and resid 328 and name HG2 ))
(( segid A and resid 328 and name HB3 ))
3.000 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.43215E-02 ppm1 0.212 ppm2 0.892 CV 1
ASSI { 40}
(( segid A and resid 328 and name HG2 ))
(( segid A and resid 328 and name HB2 ))
2.500 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.28557E-02 ppm1 0.212 ppm2 0.820 CV 1
ASSI { 41}
(( segid A and resid 303 and name HN ))
(( segid A and resid 303 and name HB3 ))
3.400 1.000 1.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.26390E-02 ppm1 7.681 ppm2 3.282 CV 1
ASSI { 42}
(( segid A and resid 304 and name HN ))
(( segid A and resid 303 and name HB2 ))
3.600 1.000 1.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.19838E-02 ppm1 9.453 ppm2 3.148 CV 1
ASSI { 43}
(( segid A and resid 303 and name HN ))
(( segid A and resid 303 and name HB2 ))
2.500 0.800 0.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.27418E-02 ppm1 7.682 ppm2 3.149 CV 1
ASSI { 47}
(( segid A and resid 299 and name HN ))
(( segid A and resid 298 and name HB3 ))
3.400 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.15162E-02 ppm1 8.673 ppm2 1.899 CV 1
ASSI { 48}
(( segid A and resid 304 and name HN ))
(( segid A and resid 303 and name HB3 ))
3.000 0.900 0.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.14297E-02 ppm1 9.453 ppm2 3.283 CV 1
ASSI { 49}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 303 and name HB3 ))
2.900 0.900 0.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.14660E-02 ppm1 7.395 ppm2 3.283 CV 1
ASSI { 51}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 303 and name HB2 ))
3.700 1.000 1.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.22152E-02 ppm1 7.392 ppm2 3.150 CV 1
ASSI { 52}
(( segid A and resid 303 and name HA ))
(( segid A and resid 303 and name HB2 ))
2.900 0.900 0.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.28406E-02 ppm1 6.100 ppm2 3.149 CV 1
ASSI { 53}
(( segid A and resid 324 and name HE21))
(( segid A and resid 324 and name HG2 ))
3.000 0.900 0.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.25169E-02 ppm1 8.045 ppm2 2.858 CV 1
ASSI { 54}
(( segid A and resid 324 and name HG2 ))
(( segid A and resid 326 and name HN ))
4.600 1.200 1.200 peak 54 spectrum 1 weight 0.11000E+01 volume 0.85035E-03 ppm1 2.858 ppm2 7.436 CV 1
ASSI { 55}
(( segid A and resid 324 and name HE22))
(( segid A and resid 324 and name HG2 ))
3.700 1.000 1.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.15736E-02 ppm1 7.252 ppm2 2.865 CV 1
ASSI { 56}
(( segid A and resid 303 and name HH2 ))
(( segid A and resid 324 and name HG2 ))
3.600 1.000 1.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.68733E-03 ppm1 7.055 ppm2 2.865 CV 1
ASSI { 57}
(( segid A and resid 324 and name HN ))
(( segid A and resid 324 and name HB2 ))
3.700 1.000 1.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.90335E-03 ppm1 9.134 ppm2 2.688 CV 1
ASSI { 58}
(( segid A and resid 324 and name HE21))
(( segid A and resid 324 and name HB2 ))
2.900 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.14791E-02 ppm1 8.048 ppm2 2.692 CV 1
ASSI { 59}
(( segid A and resid 303 and name HZ3 ))
(( segid A and resid 324 and name HB2 ))
4.700 1.200 1.200 peak 59 spectrum 1 weight 0.10000E+01 volume 0.68287E-03 ppm1 6.704 ppm2 2.695 CV 1
ASSI { 63}
(( segid A and resid 324 and name HG3 ))
(( segid A and resid 326 and name HN ))
4.000 1.100 1.100 peak 63 spectrum 1 weight 0.11000E+01 volume 0.65992E-03 ppm1 2.523 ppm2 7.437 CV 1
ASSI { 64}
(( segid A and resid 324 and name HE22))
(( segid A and resid 324 and name HG3 ))
3.900 1.100 1.100 peak 64 spectrum 1 weight 0.10000E+01 volume 0.99430E-03 ppm1 7.259 ppm2 2.524 CV 1
ASSI { 65}
(( segid A and resid 324 and name HE21))
(( segid A and resid 324 and name HB3 ))
3.700 1.000 1.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.13143E-02 ppm1 8.045 ppm2 2.264 CV 1
ASSI { 66}
(( segid A and resid 324 and name HN ))
(( segid A and resid 324 and name HB3 ))
3.600 1.000 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.11282E-02 ppm1 9.132 ppm2 2.254 CV 1
ASSI { 68}
(( segid A and resid 324 and name HE22))
(( segid A and resid 324 and name HB3 ))
4.600 1.200 1.200 peak 68 spectrum 1 weight 0.10000E+01 volume 0.80870E-03 ppm1 7.256 ppm2 2.246 CV 1
ASSI { 70}
(( segid A and resid 303 and name HZ3 ))
(( segid A and resid 324 and name HG2 ))
3.400 1.000 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.81905E-03 ppm1 6.709 ppm2 2.860 CV 1
ASSI { 71}
(( segid A and resid 324 and name HN ))
(( segid A and resid 324 and name HG2 ))
3.500 1.000 1.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.12833E-02 ppm1 9.133 ppm2 2.850 CV 1
ASSI { 72}
(( segid A and resid 324 and name HE22))
(( segid A and resid 324 and name HB2 ))
4.400 1.200 1.200 peak 72 spectrum 1 weight 0.10000E+01 volume 0.52430E-03 ppm1 7.250 ppm2 2.692 CV 1
ASSI { 75}
(( segid A and resid 324 and name HG3 ))
(( segid A and resid 303 and name HZ3 ))
3.000 0.900 0.900 peak 75 spectrum 1 weight 0.11000E+01 volume 0.12812E-02 ppm1 2.520 ppm2 6.714 CV 1
ASSI { 78}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 303 and name HB2 ))
1.700 0.600 0.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.15122E-01 ppm1 3.282 ppm2 3.150 CV 1
ASSI { 80}
(( segid A and resid 300 and name HD3 ))
(( segid A and resid 303 and name HB2 ))
4.100 1.100 1.100 peak 80 spectrum 1 weight 0.10000E+01 volume 0.11463E-02 ppm1 2.775 ppm2 3.149 CV 1
ASSI { 81}
(( segid A and resid 299 and name HB2 ))
(( segid A and resid 303 and name HB3 ))
4.000 1.100 1.100 peak 81 spectrum 1 weight 0.10000E+01 volume 0.13600E-02 ppm1 1.780 ppm2 3.282 CV 1
OR { 81}
(( segid A and resid 299 and name HG ))
(( segid A and resid 303 and name HB3 ))
ASSI { 83}
( segid A and resid 299 and name HD1%)
(( segid A and resid 303 and name HB3 ))
3.000 0.900 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.14097E-02 ppm1 1.083 ppm2 3.282 CV 1
ASSI { 86}
( segid A and resid 299 and name HD1%)
(( segid A and resid 303 and name HB2 ))
3.200 0.900 0.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.13734E-02 ppm1 1.084 ppm2 3.147 CV 1
ASSI { 87}
(( segid A and resid 299 and name HB3 ))
(( segid A and resid 303 and name HB2 ))
2.500 0.800 0.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.20657E-02 ppm1 1.533 ppm2 3.151 CV 1
ASSI { 88}
(( segid A and resid 299 and name HB2 ))
(( segid A and resid 303 and name HB2 ))
3.400 1.000 1.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.13795E-02 ppm1 1.795 ppm2 3.150 CV 1
ASSI { 89}
(( segid A and resid 324 and name HB3 ))
(( segid A and resid 324 and name HG2 ))
2.300 0.800 0.800 peak 89 spectrum 1 weight 0.10000E+01 volume 0.47417E-02 ppm1 2.258 ppm2 2.859 CV 1
ASSI { 90}
(( segid A and resid 324 and name HB3 ))
(( segid A and resid 324 and name HB2 ))
2.000 0.700 0.700 peak 90 spectrum 1 weight 0.10000E+01 volume 0.72849E-02 ppm1 2.258 ppm2 2.688 CV 1
ASSI { 91}
(( segid A and resid 324 and name HB3 ))
(( segid A and resid 324 and name HG3 ))
2.800 0.900 0.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.51228E-02 ppm1 2.256 ppm2 2.520 CV 1
ASSI { 92}
(( segid A and resid 324 and name HG3 ))
(( segid A and resid 324 and name HG2 ))
2.000 0.700 0.700 peak 92 spectrum 1 weight 0.10000E+01 volume 0.69964E-02 ppm1 2.523 ppm2 2.859 CV 1
ASSI { 93}
(( segid A and resid 324 and name HB2 ))
(( segid A and resid 324 and name HG2 ))
2.800 0.900 0.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.55879E-02 ppm1 2.684 ppm2 2.858 CV 1
ASSI { 94}
(( segid A and resid 324 and name HG3 ))
(( segid A and resid 324 and name HB2 ))
2.500 0.800 0.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.50355E-02 ppm1 2.523 ppm2 2.688 CV 1
ASSI { 98}
(( segid A and resid 315 and name HB3 ))
(( segid A and resid 324 and name HG2 ))
4.500 1.200 1.200 peak 98 spectrum 1 weight 0.10000E+01 volume 0.12933E-02 ppm1 3.158 ppm2 2.860 CV 1
ASSI { 99}
(( segid A and resid 315 and name HB3 ))
(( segid A and resid 324 and name HB2 ))
4.600 1.200 1.200 peak 99 spectrum 1 weight 0.10000E+01 volume 0.67665E-03 ppm1 3.158 ppm2 2.694 CV 1
ASSI { 100}
(( segid A and resid 315 and name HB3 ))
(( segid A and resid 324 and name HG3 ))
3.800 1.100 1.100 peak 100 spectrum 1 weight 0.10000E+01 volume 0.12314E-02 ppm1 3.153 ppm2 2.524 CV 1
ASSI { 101}
(( segid A and resid 315 and name HB2 ))
(( segid A and resid 324 and name HG2 ))
4.500 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.75282E-03 ppm1 3.316 ppm2 2.851 CV 1
ASSI { 102}
(( segid A and resid 315 and name HB2 ))
(( segid A and resid 324 and name HB2 ))
4.000 1.100 1.100 peak 102 spectrum 1 weight 0.10000E+01 volume 0.43051E-03 ppm1 3.325 ppm2 2.707 CV 1
ASSI { 103}
(( segid A and resid 315 and name HB2 ))
(( segid A and resid 324 and name HG3 ))
3.300 1.000 1.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.50242E-03 ppm1 3.315 ppm2 2.527 CV 1
ASSI { 107}
(( segid A and resid 303 and name HA ))
(( segid A and resid 304 and name HN ))
2.200 0.700 0.700 peak 107 spectrum 1 weight 0.11000E+01 volume 0.10068E-01 ppm1 6.100 ppm2 9.456 CV 1
ASSI { 108}
(( segid A and resid 318 and name HN ))
(( segid A and resid 303 and name HA ))
3.100 0.900 0.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.18550E-02 ppm1 8.785 ppm2 6.099 CV 1
ASSI { 109}
(( segid A and resid 319 and name HN ))
(( segid A and resid 303 and name HA ))
3.400 3.400 2.600 peak 109 spectrum 1 weight 0.10000E+01 volume 0.49263E-03 ppm1 8.471 ppm2 6.102 CV 1
ASSI { 111}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 303 and name HA ))
3.300 1.000 1.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.12134E-02 ppm1 7.401 ppm2 6.095 CV 1
ASSI { 113}
(( segid A and resid 318 and name HD2 ))
(( segid A and resid 303 and name HA ))
3.400 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.97653E-03 ppm1 6.874 ppm2 6.098 CV 1
ASSI { 115}
(( segid A and resid 317 and name HA ))
(( segid A and resid 303 and name HA ))
2.600 0.800 0.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.35869E-02 ppm1 3.577 ppm2 6.100 CV 1
ASSI { 116}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 303 and name HA ))
2.700 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.27977E-02 ppm1 3.280 ppm2 6.106 CV 1
ASSI { 118}
(( segid A and resid 304 and name HB2 ))
(( segid A and resid 303 and name HA ))
3.900 1.100 1.100 peak 118 spectrum 1 weight 0.10000E+01 volume 0.70317E-03 ppm1 2.178 ppm2 6.097 CV 1
OR { 118}
(( segid A and resid 304 and name HG3 ))
(( segid A and resid 303 and name HA ))
ASSI { 120}
(( segid A and resid 317 and name HB3 ))
(( segid A and resid 303 and name HA ))
4.700 1.200 1.200 peak 120 spectrum 1 weight 0.10000E+01 volume 0.49815E-03 ppm1 0.096 ppm2 6.104 CV 1
ASSI { 121}
( segid A and resid 299 and name HD1%)
(( segid A and resid 303 and name HA ))
4.300 1.200 1.200 peak 121 spectrum 1 weight 0.10000E+01 volume 0.46148E-03 ppm1 1.090 ppm2 6.107 CV 1
ASSI { 122}
(( segid A and resid 299 and name HB3 ))
(( segid A and resid 303 and name HA ))
4.800 4.800 1.200 peak 122 spectrum 1 weight 0.10000E+01 volume 0.43141E-03 ppm1 1.495 ppm2 6.114 CV 1
ASSI { 124}
(( segid A and resid 319 and name HN ))
(( segid A and resid 319 and name HA ))
2.700 0.800 0.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.40526E-02 ppm1 8.478 ppm2 4.367 CV 1
ASSI { 126}
(( segid A and resid 320 and name HN ))
(( segid A and resid 319 and name HA ))
3.300 1.000 1.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.17746E-02 ppm1 6.856 ppm2 4.367 CV 1
ASSI { 127}
(( segid A and resid 318 and name HB3 ))
(( segid A and resid 319 and name HA ))
3.600 1.000 1.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.94145E-03 ppm1 3.270 ppm2 4.354 CV 1
ASSI { 128}
(( segid A and resid 319 and name HA ))
(( segid A and resid 319 and name HB2 ))
2.800 0.900 0.900 peak 128 spectrum 1 weight 0.11000E+01 volume 0.58729E-02 ppm1 4.366 ppm2 3.053 CV 1
ASSI { 129}
(( segid A and resid 319 and name HA ))
(( segid A and resid 319 and name HB3 ))
2.200 0.700 0.700 peak 129 spectrum 1 weight 0.11000E+01 volume 0.11519E-01 ppm1 4.368 ppm2 2.604 CV 1
ASSI { 130}
(( segid A and resid 312 and name HA ))
(( segid A and resid 313 and name HN ))
2.000 0.700 0.700 peak 130 spectrum 1 weight 0.11000E+01 volume 0.17661E-01 ppm1 4.434 ppm2 8.585 CV 1
ASSI { 131}
(( segid A and resid 312 and name HA ))
(( segid A and resid 312 and name HN ))
3.200 0.900 0.900 peak 131 spectrum 1 weight 0.11000E+01 volume 0.14747E-02 ppm1 4.434 ppm2 7.528 CV 1
ASSI { 132}
(( segid A and resid 312 and name HD2 ))
(( segid A and resid 312 and name HA ))
3.900 1.100 1.100 peak 132 spectrum 1 weight 0.10000E+01 volume 0.11940E-02 ppm1 2.986 ppm2 4.435 CV 1
ASSI { 133}
(( segid A and resid 312 and name HD3 ))
(( segid A and resid 312 and name HA ))
4.100 1.100 1.100 peak 133 spectrum 1 weight 0.10000E+01 volume 0.87900E-03 ppm1 2.767 ppm2 4.440 CV 1
ASSI { 134}
(( segid A and resid 312 and name HB2 ))
(( segid A and resid 312 and name HA ))
2.600 0.800 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.53486E-02 ppm1 1.982 ppm2 4.432 CV 1
ASSI { 135}
(( segid A and resid 312 and name HG3 ))
(( segid A and resid 312 and name HA ))
2.300 0.800 0.800 peak 135 spectrum 1 weight 0.10000E+01 volume 0.97162E-02 ppm1 1.727 ppm2 4.434 CV 1
OR { 135}
(( segid A and resid 312 and name HB3 ))
(( segid A and resid 312 and name HA ))
ASSI { 136}
( segid A and resid 313 and name HG2%)
(( segid A and resid 312 and name HA ))
2.700 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.19050E-02 ppm1 1.016 ppm2 4.435 CV 1
ASSI { 138}
(( segid A and resid 298 and name HA ))
(( segid A and resid 298 and name HB3 ))
2.400 0.800 0.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.52090E-02 ppm1 4.444 ppm2 1.896 CV 1
ASSI { 139}
(( segid A and resid 298 and name HD3 ))
(( segid A and resid 298 and name HB3 ))
3.200 0.900 0.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.30819E-02 ppm1 3.604 ppm2 1.901 CV 1
OR { 139}
(( segid A and resid 298 and name HD2 ))
(( segid A and resid 298 and name HB3 ))
ASSI { 140}
(( segid A and resid 301 and name HB2 ))
(( segid A and resid 301 and name HD3 ))
3.600 1.000 1.000 peak 140 spectrum 1 weight 0.11000E+01 volume 0.22384E-02 ppm1 2.050 ppm2 3.673 CV 1
ASSI { 141}
(( segid A and resid 301 and name HB2 ))
(( segid A and resid 301 and name HD2 ))
3.500 1.000 1.000 peak 141 spectrum 1 weight 0.11000E+01 volume 0.17710E-02 ppm1 2.037 ppm2 3.918 CV 1
ASSI { 143}
(( segid A and resid 298 and name HA ))
(( segid A and resid 298 and name HB2 ))
2.600 0.800 0.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.80121E-02 ppm1 4.445 ppm2 2.287 CV 1
ASSI { 146}
(( segid A and resid 301 and name HB3 ))
(( segid A and resid 301 and name HD3 ))
3.200 0.900 0.900 peak 146 spectrum 1 weight 0.11000E+01 volume 0.21661E-02 ppm1 2.415 ppm2 3.675 CV 1
ASSI { 148}
(( segid A and resid 301 and name HB3 ))
(( segid A and resid 301 and name HB2 ))
1.700 0.600 0.600 peak 148 spectrum 1 weight 0.11000E+01 volume 0.26989E-01 ppm1 2.416 ppm2 2.061 CV 1
ASSI { 150}
(( segid A and resid 298 and name HB2 ))
(( segid A and resid 298 and name HB3 ))
1.700 0.600 0.600 peak 150 spectrum 1 weight 0.10000E+01 volume 0.26143E-01 ppm1 2.286 ppm2 1.903 CV 1
ASSI { 154}
(( segid A and resid 329 and name HN ))
(( segid A and resid 329 and name HA ))
2.600 0.800 0.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.40950E-02 ppm1 8.535 ppm2 3.911 CV 1
ASSI { 155}
(( segid A and resid 330 and name HN ))
(( segid A and resid 329 and name HA ))
2.900 0.900 0.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.25591E-02 ppm1 7.218 ppm2 3.911 CV 1
ASSI { 157}
(( segid A and resid 300 and name HD2 ))
(( segid A and resid 329 and name HA ))
4.400 4.400 1.600 peak 157 spectrum 1 weight 0.10000E+01 volume 0.66989E-03 ppm1 3.310 ppm2 3.902 CV 1
ASSI { 158}
(( segid A and resid 329 and name HB2 ))
(( segid A and resid 329 and name HA ))
2.700 0.800 0.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.64547E-02 ppm1 1.912 ppm2 3.910 CV 1
ASSI { 159}
(( segid A and resid 329 and name HG3 ))
(( segid A and resid 329 and name HA ))
2.800 0.900 0.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.56194E-02 ppm1 1.770 ppm2 3.911 CV 1
ASSI { 160}
(( segid A and resid 329 and name HB3 ))
(( segid A and resid 329 and name HA ))
2.500 0.800 0.800 peak 160 spectrum 1 weight 0.10000E+01 volume 0.45641E-02 ppm1 1.536 ppm2 3.909 CV 1
ASSI { 161}
(( segid A and resid 329 and name HG2 ))
(( segid A and resid 329 and name HA ))
2.800 0.900 0.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.37116E-02 ppm1 1.172 ppm2 3.911 CV 1
ASSI { 164}
(( segid A and resid 328 and name HG3 ))
(( segid A and resid 329 and name HA ))
4.800 1.300 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.67042E-03 ppm1 0.544 ppm2 3.913 CV 1
ASSI { 165}
(( segid A and resid 315 and name HA ))
(( segid A and resid 316 and name HN ))
2.100 0.700 0.700 peak 165 spectrum 1 weight 0.11000E+01 volume 0.12239E-01 ppm1 5.167 ppm2 9.458 CV 1
ASSI { 166}
(( segid A and resid 315 and name HN ))
(( segid A and resid 315 and name HA ))
2.800 0.900 0.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.22832E-02 ppm1 9.079 ppm2 5.169 CV 1
ASSI { 167}
(( segid A and resid 305 and name HN ))
(( segid A and resid 315 and name HA ))
4.100 1.100 1.100 peak 167 spectrum 1 weight 0.10000E+01 volume 0.58873E-03 ppm1 8.603 ppm2 5.160 CV 1
ASSI { 168}
(( segid A and resid 315 and name HA ))
(( segid A and resid 306 and name HN ))
3.100 0.900 0.900 peak 168 spectrum 1 weight 0.11000E+01 volume 0.18394E-02 ppm1 5.165 ppm2 8.294 CV 1
ASSI { 169}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 315 and name HA ))
4.000 1.100 1.100 peak 169 spectrum 1 weight 0.10000E+01 volume 0.11018E-02 ppm1 7.379 ppm2 5.169 CV 1
ASSI { 170}
( segid A and resid 315 and name HE% )
(( segid A and resid 315 and name HA ))
3.800 1.100 1.100 peak 170 spectrum 1 weight 0.10000E+01 volume 0.77808E-03 ppm1 7.255 ppm2 5.167 CV 1
ASSI { 171}
( segid A and resid 315 and name HD% )
(( segid A and resid 315 and name HA ))
2.600 0.800 0.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.37712E-02 ppm1 7.056 ppm2 5.168 CV 1
ASSI { 172}
( segid A and resid 314 and name HD% )
(( segid A and resid 315 and name HA ))
3.300 1.000 1.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.91922E-03 ppm1 6.856 ppm2 5.167 CV 1
ASSI { 173}
(( segid A and resid 303 and name HZ3 ))
(( segid A and resid 315 and name HA ))
4.400 1.200 1.200 peak 173 spectrum 1 weight 0.10000E+01 volume 0.56043E-03 ppm1 6.721 ppm2 5.171 CV 1
ASSI { 174}
(( segid A and resid 305 and name HA ))
(( segid A and resid 315 and name HA ))
2.500 0.800 0.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.51295E-02 ppm1 4.463 ppm2 5.169 CV 1
ASSI { 175}
(( segid A and resid 316 and name HA ))
(( segid A and resid 315 and name HA ))
4.000 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.76810E-03 ppm1 4.238 ppm2 5.164 CV 1
ASSI { 176}
(( segid A and resid 315 and name HB2 ))
(( segid A and resid 315 and name HA ))
2.700 0.800 0.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.51469E-02 ppm1 3.315 ppm2 5.168 CV 1
ASSI { 177}
(( segid A and resid 315 and name HB3 ))
(( segid A and resid 315 and name HA ))
2.500 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.34966E-02 ppm1 3.158 ppm2 5.167 CV 1
ASSI { 178}
(( segid A and resid 314 and name HB2 ))
(( segid A and resid 315 and name HA ))
3.600 1.000 1.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.67024E-03 ppm1 2.616 ppm2 5.172 CV 1
ASSI { 179}
(( segid A and resid 316 and name HB ))
(( segid A and resid 315 and name HA ))
3.900 1.100 1.100 peak 179 spectrum 1 weight 0.10000E+01 volume 0.18463E-02 ppm1 1.806 ppm2 5.167 CV 1
ASSI { 183}
( segid A and resid 305 and name HG2%)
(( segid A and resid 315 and name HA ))
3.900 1.100 1.100 peak 183 spectrum 1 weight 0.10000E+01 volume 0.93276E-03 ppm1 0.751 ppm2 5.164 CV 1
ASSI { 185}
(( segid A and resid 306 and name HB3 ))
(( segid A and resid 315 and name HA ))
4.400 4.400 1.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.64693E-03 ppm1 0.121 ppm2 5.165 CV 1
ASSI { 189}
(( segid A and resid 313 and name HA ))
(( segid A and resid 313 and name HB ))
2.600 0.800 0.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.35966E-02 ppm1 4.590 ppm2 1.966 CV 1
ASSI { 190}
(( segid A and resid 313 and name HB ))
(( segid A and resid 314 and name HN ))
3.400 1.000 1.000 peak 190 spectrum 1 weight 0.11000E+01 volume 0.16396E-02 ppm1 1.971 ppm2 8.888 CV 1
ASSI { 191}
(( segid A and resid 313 and name HB ))
(( segid A and resid 313 and name HN ))
2.400 0.800 0.800 peak 191 spectrum 1 weight 0.11000E+01 volume 0.70196E-02 ppm1 1.968 ppm2 8.586 CV 1
ASSI { 193}
(( segid A and resid 321 and name HG2 ))
(( segid A and resid 321 and name HA ))
3.700 1.000 1.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.88664E-03 ppm1 1.103 ppm2 2.292 CV 1
ASSI { 194}
(( segid A and resid 321 and name HG3 ))
(( segid A and resid 321 and name HA ))
3.400 1.000 1.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.86940E-03 ppm1 0.897 ppm2 2.273 CV 1
ASSI { 195}
(( segid A and resid 321 and name HB3 ))
(( segid A and resid 321 and name HA ))
3.200 0.900 0.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.76916E-03 ppm1 0.741 ppm2 2.280 CV 1
ASSI { 197}
( segid A and resid 316 and name HG2%)
(( segid A and resid 306 and name HB3 ))
4.100 1.100 1.100 peak 197 spectrum 1 weight 0.10000E+01 volume 0.10279E-02 ppm1 0.582 ppm2 0.145 CV 1
ASSI { 198}
(( segid A and resid 306 and name HG3 ))
(( segid A and resid 306 and name HB3 ))
3.200 0.900 0.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.22558E-02 ppm1 1.046 ppm2 0.146 CV 1
ASSI { 199}
(( segid A and resid 306 and name HG2 ))
(( segid A and resid 306 and name HB3 ))
2.800 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.18762E-02 ppm1 1.602 ppm2 0.154 CV 1
ASSI { 200}
(( segid A and resid 306 and name HB2 ))
(( segid A and resid 306 and name HB3 ))
1.900 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.95755E-02 ppm1 1.491 ppm2 0.148 CV 1
ASSI { 202}
(( segid A and resid 306 and name HD3 ))
(( segid A and resid 306 and name HB3 ))
3.000 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.14021E-02 ppm1 3.092 ppm2 0.152 CV 1
ASSI { 203}
(( segid A and resid 306 and name HA ))
(( segid A and resid 306 and name HB3 ))
2.700 0.800 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.27765E-02 ppm1 4.446 ppm2 0.148 CV 1
ASSI { 205}
(( segid A and resid 306 and name HB3 ))
( segid A and resid 314 and name HD% )
3.800 1.100 1.100 peak 205 spectrum 1 weight 0.11000E+01 volume 0.59069E-03 ppm1 0.156 ppm2 6.855 CV 1
ASSI { 206}
(( segid A and resid 306 and name HB3 ))
(( segid A and resid 306 and name HN ))
3.500 1.000 1.000 peak 206 spectrum 1 weight 0.11000E+01 volume 0.17039E-02 ppm1 0.148 ppm2 8.294 CV 1
ASSI { 207}
(( segid A and resid 306 and name HB3 ))
(( segid A and resid 307 and name HN ))
3.100 0.900 0.900 peak 207 spectrum 1 weight 0.11000E+01 volume 0.16454E-02 ppm1 0.152 ppm2 8.178 CV 1
ASSI { 210}
(( segid A and resid 306 and name HB2 ))
( segid A and resid 314 and name HE% )
3.300 1.000 1.000 peak 210 spectrum 1 weight 0.11000E+01 volume 0.11951E-02 ppm1 1.509 ppm2 6.311 CV 1
ASSI { 213}
(( segid A and resid 306 and name HD2 ))
(( segid A and resid 306 and name HB2 ))
3.100 0.900 0.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.11847E-02 ppm1 2.698 ppm2 1.502 CV 1
ASSI { 214}
(( segid A and resid 306 and name HG3 ))
(( segid A and resid 306 and name HB2 ))
2.700 0.800 0.800 peak 214 spectrum 1 weight 0.10000E+01 volume 0.25294E-02 ppm1 1.045 ppm2 1.505 CV 1
ASSI { 215}
( segid A and resid 316 and name HG2%)
(( segid A and resid 306 and name HB2 ))
3.200 0.900 0.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.86260E-03 ppm1 0.583 ppm2 1.506 CV 1
ASSI { 217}
(( segid A and resid 306 and name HG2 ))
(( segid A and resid 306 and name HB2 ))
3.300 1.000 1.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.18977E-02 ppm1 1.630 ppm2 1.498 CV 1
ASSI { 218}
(( segid A and resid 316 and name HB ))
(( segid A and resid 316 and name HN ))
2.400 0.800 0.800 peak 218 spectrum 1 weight 0.11000E+01 volume 0.62009E-02 ppm1 1.813 ppm2 9.457 CV 1
ASSI { 222}
(( segid A and resid 304 and name HA ))
(( segid A and resid 316 and name HB ))
4.200 1.100 1.100 peak 222 spectrum 1 weight 0.10000E+01 volume 0.77702E-03 ppm1 4.811 ppm2 1.814 CV 1
ASSI { 223}
(( segid A and resid 316 and name HA ))
(( segid A and resid 316 and name HB ))
3.100 0.900 0.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.14823E-02 ppm1 4.259 ppm2 1.812 CV 1
ASSI { 224}
(( segid A and resid 304 and name HB2 ))
(( segid A and resid 316 and name HB ))
3.600 1.000 1.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.20778E-02 ppm1 2.177 ppm2 1.812 CV 1
ASSI { 227}
(( segid A and resid 318 and name HN ))
(( segid A and resid 318 and name HA ))
2.800 0.900 0.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.27393E-02 ppm1 8.783 ppm2 4.289 CV 1
ASSI { 228}
(( segid A and resid 319 and name HN ))
(( segid A and resid 318 and name HA ))
3.300 1.000 1.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.13731E-02 ppm1 8.478 ppm2 4.290 CV 1
ASSI { 229}
(( segid A and resid 321 and name HN ))
(( segid A and resid 318 and name HA ))
3.000 0.900 0.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.21768E-02 ppm1 7.532 ppm2 4.287 CV 1
ASSI { 230}
(( segid A and resid 302 and name HA1 ))
(( segid A and resid 318 and name HA ))
4.400 1.200 1.200 peak 230 spectrum 1 weight 0.10000E+01 volume 0.84483E-03 ppm1 3.862 ppm2 4.292 CV 1
ASSI { 231}
(( segid A and resid 317 and name HA ))
(( segid A and resid 318 and name HA ))
4.300 1.200 1.200 peak 231 spectrum 1 weight 0.10000E+01 volume 0.67647E-03 ppm1 3.572 ppm2 4.288 CV 1
ASSI { 232}
(( segid A and resid 318 and name HA ))
(( segid A and resid 318 and name HB3 ))
2.800 0.900 0.900 peak 232 spectrum 1 weight 0.11000E+01 volume 0.28532E-02 ppm1 4.300 ppm2 3.255 CV 1
ASSI { 233}
(( segid A and resid 318 and name HA ))
(( segid A and resid 318 and name HB2 ))
2.600 0.800 0.800 peak 233 spectrum 1 weight 0.11000E+01 volume 0.66223E-02 ppm1 4.291 ppm2 3.043 CV 1
ASSI { 234}
(( segid A and resid 321 and name HA ))
(( segid A and resid 318 and name HA ))
3.300 1.000 1.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.12020E-02 ppm1 2.276 ppm2 4.289 CV 1
ASSI { 235}
(( segid A and resid 321 and name HG2 ))
(( segid A and resid 318 and name HA ))
3.800 1.100 1.100 peak 235 spectrum 1 weight 0.10000E+01 volume 0.66757E-03 ppm1 1.105 ppm2 4.293 CV 1
ASSI { 236}
(( segid A and resid 321 and name HG3 ))
(( segid A and resid 318 and name HA ))
3.800 1.100 1.100 peak 236 spectrum 1 weight 0.10000E+01 volume 0.65084E-03 ppm1 0.913 ppm2 4.289 CV 1
ASSI { 237}
(( segid A and resid 318 and name HA ))
( segid A and resid 316 and name HG1%)
3.400 1.000 1.000 peak 237 spectrum 1 weight 0.11000E+01 volume 0.14514E-02 ppm1 4.291 ppm2 0.354 CV 1
ASSI { 238}
(( segid A and resid 318 and name HA ))
(( segid A and resid 317 and name HB3 ))
3.900 3.900 2.100 peak 238 spectrum 1 weight 0.11000E+01 volume 0.55758E-03 ppm1 4.278 ppm2 0.054 CV 1
ASSI { 239}
(( segid A and resid 318 and name HA ))
( segid B and resid 211 and name HD% )
3.500 3.500 2.500 peak 239 spectrum 1 weight 0.11000E+01 volume 0.14911E-02 ppm1 4.287 ppm2 6.804 CV 1
ASSI { 240}
(( segid A and resid 318 and name HA ))
( segid B and resid 211 and name HE% )
2.700 2.700 3.300 peak 240 spectrum 1 weight 0.11000E+01 volume 0.25767E-02 ppm1 4.291 ppm2 6.482 CV 1
ASSI { 241}
(( segid A and resid 304 and name HB3 ))
(( segid A and resid 316 and name HN ))
3.100 0.900 0.900 peak 241 spectrum 1 weight 0.11000E+01 volume 0.16692E-02 ppm1 1.951 ppm2 9.458 CV 1
ASSI { 242}
(( segid A and resid 304 and name HB3 ))
(( segid A and resid 305 and name HN ))
3.900 1.100 1.100 peak 242 spectrum 1 weight 0.11000E+01 volume 0.74961E-03 ppm1 1.942 ppm2 8.634 CV 1
ASSI { 244}
(( segid A and resid 304 and name HN ))
(( segid A and resid 304 and name HB2 ))
3.400 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.12809E-02 ppm1 9.448 ppm2 2.174 CV 1
ASSI { 246}
(( segid A and resid 304 and name HA ))
(( segid A and resid 304 and name HB2 ))
2.700 0.800 0.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.25057E-02 ppm1 4.823 ppm2 2.175 CV 1
ASSI { 247}
(( segid A and resid 304 and name HA ))
(( segid A and resid 304 and name HB3 ))
3.300 1.000 1.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.16760E-02 ppm1 4.822 ppm2 1.949 CV 1
ASSI { 250}
( segid A and resid 316 and name HG2%)
(( segid A and resid 304 and name HB2 ))
3.200 3.200 2.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.67878E-03 ppm1 0.576 ppm2 2.172 CV 1
ASSI { 251}
(( segid A and resid 304 and name HB2 ))
(( segid A and resid 306 and name HG3 ))
4.500 1.200 1.200 peak 251 spectrum 1 weight 0.11000E+01 volume 0.53142E-03 ppm1 2.162 ppm2 1.053 CV 1
ASSI { 252}
(( segid A and resid 304 and name HG2 ))
(( segid A and resid 304 and name HN ))
4.600 1.200 1.200 peak 252 spectrum 1 weight 0.11000E+01 volume 0.46913E-03 ppm1 2.454 ppm2 9.446 CV 1
ASSI { 254}
(( segid A and resid 318 and name HD2 ))
(( segid A and resid 304 and name HG2 ))
4.600 1.200 1.200 peak 254 spectrum 1 weight 0.10000E+01 volume 0.49957E-03 ppm1 6.895 ppm2 2.465 CV 1
ASSI { 255}
(( segid A and resid 304 and name HA ))
(( segid A and resid 304 and name HG2 ))
3.400 1.000 1.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.19258E-02 ppm1 4.831 ppm2 2.467 CV 1
ASSI { 257}
(( segid A and resid 304 and name HG2 ))
(( segid A and resid 304 and name HB2 ))
2.900 0.900 0.900 peak 257 spectrum 1 weight 0.10000E+01 volume 0.49515E-02 ppm1 2.466 ppm2 2.175 CV 1
ASSI { 258}
(( segid A and resid 304 and name HG2 ))
(( segid A and resid 304 and name HB3 ))
2.700 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.25856E-02 ppm1 2.467 ppm2 1.949 CV 1
ASSI { 259}
(( segid A and resid 304 and name HB2 ))
(( segid A and resid 304 and name HB3 ))
2.000 0.700 0.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.10372E-01 ppm1 2.177 ppm2 1.949 CV 1
ASSI { 260}
(( segid A and resid 316 and name HB ))
(( segid A and resid 304 and name HB3 ))
2.700 0.800 0.800 peak 260 spectrum 1 weight 0.10000E+01 volume 0.27048E-02 ppm1 1.823 ppm2 1.951 CV 1
ASSI { 263}
(( segid A and resid 304 and name HG3 ))
(( segid A and resid 304 and name HG2 ))
2.000 0.700 0.700 peak 263 spectrum 1 weight 0.10000E+01 volume 0.12935E-01 ppm1 2.181 ppm2 2.467 CV 1
ASSI { 269}
(( segid A and resid 304 and name HN ))
(( segid A and resid 304 and name HG3 ))
4.000 1.100 1.100 peak 269 spectrum 1 weight 0.10000E+01 volume 0.89783E-03 ppm1 9.457 ppm2 2.176 CV 1
ASSI { 270}
(( segid A and resid 304 and name HG3 ))
(( segid A and resid 305 and name HN ))
3.200 0.900 0.900 peak 270 spectrum 1 weight 0.11000E+01 volume 0.15300E-02 ppm1 2.178 ppm2 8.633 CV 1
ASSI { 272}
(( segid A and resid 304 and name HA ))
(( segid A and resid 304 and name HG3 ))
2.700 0.800 0.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.27079E-02 ppm1 4.823 ppm2 2.182 CV 1
ASSI { 274}
(( segid A and resid 305 and name HB ))
(( segid A and resid 304 and name HG3 ))
4.300 1.200 1.200 peak 274 spectrum 1 weight 0.10000E+01 volume 0.50134E-03 ppm1 1.583 ppm2 2.186 CV 1
ASSI { 276}
( segid A and resid 316 and name HG2%)
(( segid A and resid 304 and name HG3 ))
3.300 3.300 2.700 peak 276 spectrum 1 weight 0.10000E+01 volume 0.54922E-03 ppm1 0.585 ppm2 2.177 CV 1
ASSI { 277}
(( segid A and resid 324 and name HN ))
(( segid A and resid 323 and name HA ))
2.300 0.800 0.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.81747E-02 ppm1 9.141 ppm2 5.572 CV 1
ASSI { 278}
(( segid A and resid 323 and name HA ))
(( segid A and resid 317 and name HN ))
3.000 0.900 0.900 peak 278 spectrum 1 weight 0.11000E+01 volume 0.21216E-02 ppm1 5.571 ppm2 8.278 CV 1
ASSI { 279}
(( segid A and resid 323 and name HN ))
(( segid A and resid 323 and name HA ))
2.900 0.900 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.21771E-02 ppm1 8.078 ppm2 5.571 CV 1
ASSI { 281}
( segid A and resid 314 and name HD% )
(( segid A and resid 323 and name HA ))
3.500 1.000 1.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.11026E-02 ppm1 6.852 ppm2 5.576 CV 1
ASSI { 282}
(( segid A and resid 322 and name HA ))
(( segid A and resid 323 and name HA ))
3.500 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.12401E-02 ppm1 4.822 ppm2 5.576 CV 1
ASSI { 283}
(( segid A and resid 323 and name HB ))
(( segid A and resid 323 and name HA ))
2.300 0.800 0.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.79380E-02 ppm1 4.209 ppm2 5.571 CV 1
ASSI { 284}
(( segid A and resid 324 and name HG3 ))
(( segid A and resid 323 and name HA ))
3.500 1.000 1.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.81656E-03 ppm1 2.528 ppm2 5.572 CV 1
ASSI { 286}
( segid A and resid 323 and name HG2%)
(( segid A and resid 323 and name HA ))
2.400 0.800 0.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.66800E-02 ppm1 1.245 ppm2 5.571 CV 1
ASSI { 288}
( segid A and resid 316 and name HG1%)
(( segid A and resid 323 and name HA ))
3.900 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.88664E-03 ppm1 0.362 ppm2 5.566 CV 1
ASSI { 289}
(( segid A and resid 325 and name HN ))
(( segid A and resid 325 and name HA ))
3.500 1.000 1.000 peak 289 spectrum 1 weight 0.10000E+01 volume 0.50277E-03 ppm1 9.550 ppm2 5.214 CV 1
ASSI { 290}
(( segid A and resid 315 and name HN ))
(( segid A and resid 325 and name HA ))
3.200 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.17872E-02 ppm1 9.077 ppm2 5.209 CV 1
ASSI { 291}
( segid A and resid 325 and name HD% )
(( segid A and resid 325 and name HA ))
2.000 0.700 0.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.79048E-02 ppm1 7.710 ppm2 5.209 CV 1
ASSI { 292}
( segid A and resid 325 and name HE% )
(( segid A and resid 325 and name HA ))
4.100 1.100 1.100 peak 292 spectrum 1 weight 0.10000E+01 volume 0.91189E-03 ppm1 7.201 ppm2 5.213 CV 1
ASSI { 293}
( segid A and resid 315 and name HD% )
(( segid A and resid 325 and name HA ))
2.700 0.800 0.800 peak 293 spectrum 1 weight 0.10000E+01 volume 0.24398E-02 ppm1 7.068 ppm2 5.209 CV 1
ASSI { 294}
( segid A and resid 314 and name HD% )
(( segid A and resid 325 and name HA ))
4.300 1.200 1.200 peak 294 spectrum 1 weight 0.10000E+01 volume 0.80174E-03 ppm1 6.841 ppm2 5.212 CV 1
ASSI { 295}
(( segid A and resid 314 and name HA ))
(( segid A and resid 325 and name HA ))
2.400 0.800 0.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.37924E-02 ppm1 4.939 ppm2 5.212 CV 1
ASSI { 296}
(( segid A and resid 326 and name HA ))
(( segid A and resid 325 and name HA ))
3.700 1.000 1.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.58019E-03 ppm1 4.248 ppm2 5.213 CV 1
ASSI { 297}
(( segid A and resid 325 and name HB2 ))
(( segid A and resid 325 and name HA ))
2.600 0.800 0.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.53286E-02 ppm1 3.585 ppm2 5.212 CV 1
ASSI { 299}
(( segid A and resid 314 and name HB2 ))
(( segid A and resid 325 and name HA ))
3.000 0.900 0.900 peak 299 spectrum 1 weight 0.10000E+01 volume 0.24104E-02 ppm1 2.609 ppm2 5.212 CV 1
ASSI { 300}
(( segid A and resid 328 and name HD2 ))
( segid A and resid 315 and name HE% )
3.300 3.300 2.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.95408E-03 ppm1 2.782 ppm2 7.231 CV 1
ASSI { 304}
(( segid A and resid 312 and name HB3 ))
( segid A and resid 325 and name HE% )
3.600 1.000 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.62130E-03 ppm1 1.732 ppm2 7.176 CV 1
OR { 304}
(( segid A and resid 312 and name HG3 ))
( segid A and resid 325 and name HE% )
ASSI { 307}
( segid A and resid 325 and name HD% )
( segid A and resid 325 and name HE% )
2.100 0.700 0.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.67925E-02 ppm1 7.708 ppm2 7.188 CV 1
ASSI { 308}
(( segid A and resid 315 and name HN ))
( segid A and resid 315 and name HD% )
2.600 0.800 0.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.31270E-02 ppm1 9.076 ppm2 7.065 CV 1
ASSI { 309}
( segid A and resid 315 and name HD% )
(( segid A and resid 316 and name HN ))
3.900 1.100 1.100 peak 309 spectrum 1 weight 0.11000E+01 volume 0.77006E-03 ppm1 7.055 ppm2 9.454 CV 1
ASSI { 310}
( segid A and resid 315 and name HE% )
( segid A and resid 315 and name HD% )
2.200 0.700 0.700 peak 310 spectrum 1 weight 0.10000E+01 volume 0.56602E-02 ppm1 7.220 ppm2 7.063 CV 1
ASSI { 311}
(( segid A and resid 303 and name HE3 ))
( segid A and resid 315 and name HD% )
3.900 1.100 1.100 peak 311 spectrum 1 weight 0.10000E+01 volume 0.98794E-03 ppm1 7.383 ppm2 7.060 CV 1
ASSI { 314}
(( segid A and resid 314 and name HA ))
( segid A and resid 325 and name HD% )
3.200 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.12784E-02 ppm1 4.936 ppm2 7.709 CV 1
ASSI { 315}
(( segid A and resid 325 and name HB2 ))
( segid A and resid 325 and name HD% )
2.600 0.800 0.800 peak 315 spectrum 1 weight 0.10000E+01 volume 0.36121E-02 ppm1 3.587 ppm2 7.714 CV 1
ASSI { 319}
(( segid A and resid 314 and name HA ))
( segid A and resid 315 and name HD% )
2.900 0.900 0.900 peak 319 spectrum 1 weight 0.10000E+01 volume 0.16352E-02 ppm1 4.942 ppm2 7.060 CV 1
ASSI { 321}
(( segid A and resid 315 and name HB2 ))
( segid A and resid 315 and name HD% )
2.500 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.43987E-02 ppm1 3.316 ppm2 7.065 CV 1
ASSI { 322}
(( segid A and resid 315 and name HB3 ))
( segid A and resid 315 and name HD% )
2.400 0.800 0.800 peak 322 spectrum 1 weight 0.10000E+01 volume 0.44375E-02 ppm1 3.155 ppm2 7.063 CV 1
ASSI { 323}
(( segid A and resid 328 and name HD2 ))
( segid A and resid 315 and name HD% )
2.700 0.800 0.800 peak 323 spectrum 1 weight 0.10000E+01 volume 0.19537E-02 ppm1 2.787 ppm2 7.062 CV 1
ASSI { 327}
( segid A and resid 299 and name HD2%)
( segid A and resid 315 and name HD% )
2.600 0.800 0.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.30008E-02 ppm1 0.870 ppm2 7.062 CV 1
ASSI { 329}
( segid A and resid 314 and name HE% )
( segid A and resid 314 and name HD% )
1.900 0.700 0.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.11586E-01 ppm1 6.313 ppm2 6.849 CV 1
ASSI { 333}
(( segid A and resid 314 and name HA ))
( segid A and resid 314 and name HD% )
3.400 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.16401E-02 ppm1 4.946 ppm2 6.848 CV 1
ASSI { 334}
(( segid A and resid 313 and name HA ))
( segid A and resid 314 and name HD% )
3.500 1.000 1.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.12621E-02 ppm1 4.595 ppm2 6.853 CV 1
ASSI { 337}
(( segid A and resid 314 and name HB2 ))
( segid A and resid 314 and name HD% )
2.200 0.700 0.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.51922E-02 ppm1 2.607 ppm2 6.847 CV 1
ASSI { 343}
(( segid B and resid 209 and name HD3 ))
( segid A and resid 314 and name HD% )
4.300 4.300 1.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.68430E-03 ppm1 1.658 ppm2 6.848 CV 1
ASSI { 344}
(( segid A and resid 308 and name HN ))
( segid A and resid 314 and name HD% )
3.100 0.900 0.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.13720E-02 ppm1 9.581 ppm2 6.848 CV 1
ASSI { 345}
( segid A and resid 314 and name HD% )
(( segid A and resid 315 and name HN ))
2.800 0.900 0.900 peak 345 spectrum 1 weight 0.11000E+01 volume 0.23083E-02 ppm1 6.848 ppm2 9.087 CV 1
ASSI { 346}
( segid A and resid 314 and name HD% )
(( segid A and resid 314 and name HN ))
2.600 0.800 0.800 peak 346 spectrum 1 weight 0.11000E+01 volume 0.26913E-02 ppm1 6.849 ppm2 8.890 CV 1
ASSI { 347}
( segid A and resid 325 and name HD% )
( segid A and resid 314 and name HD% )
4.500 1.200 1.200 peak 347 spectrum 1 weight 0.10000E+01 volume 0.55456E-03 ppm1 7.711 ppm2 6.849 CV 1
ASSI { 348}
( segid A and resid 325 and name HE% )
( segid A and resid 314 and name HD% )
3.800 1.100 1.100 peak 348 spectrum 1 weight 0.10000E+01 volume 0.67914E-03 ppm1 7.165 ppm2 6.843 CV 1
ASSI { 351}
(( segid A and resid 318 and name HE1 ))
(( segid B and resid 213 and name HD3 ))
3.500 3.500 2.500 peak 351 spectrum 1 weight 0.11000E+01 volume 0.57111E-03 ppm1 7.769 ppm2 3.014 CV 1
OR { 351}
(( segid A and resid 318 and name HE1 ))
(( segid B and resid 213 and name HD2 ))
ASSI { 353}
(( segid A and resid 303 and name HH2 ))
(( segid A and resid 303 and name HZ2 ))
2.100 0.700 0.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.19230E-01 ppm1 7.051 ppm2 7.385 CV 1
ASSI { 354}
(( segid A and resid 303 and name HZ3 ))
(( segid A and resid 303 and name HZ2 ))
3.600 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.19527E-02 ppm1 6.710 ppm2 7.387 CV 1
ASSI { 359}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 303 and name HZ2 ))
3.400 1.000 1.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.11100E-02 ppm1 0.859 ppm2 7.385 CV 1
OR { 359}
(( segid A and resid 328 and name HB2 ))
(( segid A and resid 303 and name HZ2 ))
ASSI { 360}
(( segid A and resid 303 and name HE1 ))
(( segid A and resid 303 and name HZ2 ))
2.700 0.800 0.800 peak 360 spectrum 1 weight 0.10000E+01 volume 0.43948E-02 ppm1 10.164 ppm2 7.387 CV 1
ASSI { 362}
(( segid A and resid 306 and name HA ))
( segid A and resid 314 and name HE% )
3.900 1.100 1.100 peak 362 spectrum 1 weight 0.10000E+01 volume 0.82011E-03 ppm1 4.443 ppm2 6.316 CV 1
ASSI { 363}
( segid A and resid 314 and name HE% )
(( segid A and resid 323 and name HB ))
3.200 0.900 0.900 peak 363 spectrum 1 weight 0.11000E+01 volume 0.25690E-02 ppm1 6.313 ppm2 4.188 CV 1
ASSI { 365}
(( segid A and resid 314 and name HB2 ))
( segid A and resid 314 and name HE% )
3.500 1.000 1.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.12805E-02 ppm1 2.642 ppm2 6.312 CV 1
ASSI { 366}
(( segid B and resid 209 and name HB3 ))
( segid A and resid 314 and name HE% )
4.100 1.100 1.100 peak 366 spectrum 1 weight 0.10000E+01 volume 0.87507E-03 ppm1 2.258 ppm2 6.314 CV 1
ASSI { 368}
(( segid A and resid 316 and name HB ))
( segid A and resid 314 and name HE% )
4.200 1.100 1.100 peak 368 spectrum 1 weight 0.10000E+01 volume 0.12343E-02 ppm1 1.801 ppm2 6.313 CV 1
ASSI { 369}
( segid A and resid 308 and name HG2%)
( segid A and resid 314 and name HE% )
2.500 0.800 0.800 peak 369 spectrum 1 weight 0.10000E+01 volume 0.58905E-02 ppm1 1.454 ppm2 6.311 CV 1
ASSI { 370}
( segid A and resid 323 and name HG2%)
( segid A and resid 314 and name HE% )
2.200 0.700 0.700 peak 370 spectrum 1 weight 0.10000E+01 volume 0.67396E-02 ppm1 1.246 ppm2 6.313 CV 1
ASSI { 372}
( segid A and resid 316 and name HG2%)
( segid A and resid 314 and name HE% )
2.200 0.700 0.700 peak 372 spectrum 1 weight 0.10000E+01 volume 0.76266E-02 ppm1 0.583 ppm2 6.312 CV 1
ASSI { 373}
( segid A and resid 316 and name HG1%)
( segid A and resid 314 and name HE% )
3.700 1.000 1.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.87560E-03 ppm1 0.344 ppm2 6.319 CV 1
ASSI { 374}
(( segid A and resid 306 and name HB3 ))
( segid A and resid 314 and name HE% )
2.700 0.800 0.800 peak 374 spectrum 1 weight 0.10000E+01 volume 0.17934E-02 ppm1 0.151 ppm2 6.314 CV 1
ASSI { 375}
( segid A and resid 314 and name HE% )
(( segid A and resid 308 and name HN ))
3.400 1.000 1.000 peak 375 spectrum 1 weight 0.11000E+01 volume 0.10130E-02 ppm1 6.313 ppm2 9.573 CV 1
ASSI { 376}
(( segid A and resid 315 and name HN ))
( segid A and resid 314 and name HE% )
4.300 1.200 1.200 peak 376 spectrum 1 weight 0.10000E+01 volume 0.44618E-03 ppm1 9.091 ppm2 6.311 CV 1
ASSI { 377}
(( segid A and resid 314 and name HN ))
( segid A and resid 314 and name HE% )
4.000 1.100 1.100 peak 377 spectrum 1 weight 0.10000E+01 volume 0.59905E-03 ppm1 8.885 ppm2 6.313 CV 1
ASSI { 379}
( segid A and resid 314 and name HE% )
(( segid A and resid 307 and name HN ))
3.300 1.000 1.000 peak 379 spectrum 1 weight 0.11000E+01 volume 0.93540E-03 ppm1 6.310 ppm2 8.180 CV 1
ASSI { 380}
( segid A and resid 314 and name HE% )
( segid A and resid 325 and name HE% )
4.500 4.500 1.500 peak 380 spectrum 1 weight 0.11000E+01 volume 0.48515E-03 ppm1 6.308 ppm2 7.138 CV 1
ASSI { 382}
(( segid A and resid 307 and name HA ))
( segid A and resid 314 and name HE% )
3.100 0.900 0.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.12420E-02 ppm1 5.865 ppm2 6.316 CV 1
ASSI { 383}
(( segid A and resid 318 and name HD2 ))
(( segid A and resid 304 and name HN ))
3.700 1.000 1.000 peak 383 spectrum 1 weight 0.11000E+01 volume 0.78239E-03 ppm1 6.876 ppm2 9.458 CV 1
ASSI { 384}
(( segid A and resid 318 and name HD2 ))
(( segid A and resid 318 and name HN ))
3.200 0.900 0.900 peak 384 spectrum 1 weight 0.11000E+01 volume 0.16907E-02 ppm1 6.879 ppm2 8.785 CV 1
ASSI { 387}
(( segid A and resid 302 and name HA1 ))
(( segid A and resid 318 and name HD2 ))
3.800 1.100 1.100 peak 387 spectrum 1 weight 0.10000E+01 volume 0.64906E-03 ppm1 3.867 ppm2 6.880 CV 1
ASSI { 388}
(( segid A and resid 317 and name HA ))
(( segid A and resid 318 and name HD2 ))
4.200 1.100 1.100 peak 388 spectrum 1 weight 0.10000E+01 volume 0.68715E-03 ppm1 3.592 ppm2 6.872 CV 1
ASSI { 389}
(( segid A and resid 318 and name HB3 ))
(( segid A and resid 318 and name HD2 ))
3.500 1.000 1.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.26854E-02 ppm1 3.249 ppm2 6.878 CV 1
ASSI { 390}
(( segid A and resid 318 and name HB2 ))
(( segid A and resid 318 and name HD2 ))
2.900 0.900 0.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.19157E-02 ppm1 3.046 ppm2 6.879 CV 1
ASSI { 392}
(( segid A and resid 304 and name HB2 ))
(( segid A and resid 318 and name HD2 ))
3.000 0.900 0.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.18084E-02 ppm1 2.173 ppm2 6.879 CV 1
ASSI { 393}
(( segid A and resid 304 and name HB3 ))
(( segid A and resid 318 and name HD2 ))
4.000 1.100 1.100 peak 393 spectrum 1 weight 0.10000E+01 volume 0.79411E-03 ppm1 1.954 ppm2 6.881 CV 1
ASSI { 394}
(( segid A and resid 316 and name HB ))
(( segid A and resid 318 and name HD2 ))
4.000 1.100 1.100 peak 394 spectrum 1 weight 0.10000E+01 volume 0.47448E-03 ppm1 1.806 ppm2 6.879 CV 1
ASSI { 395}
( segid A and resid 316 and name HG1%)
(( segid A and resid 318 and name HD2 ))
3.600 1.000 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.90698E-03 ppm1 0.357 ppm2 6.883 CV 1
ASSI { 397}
(( segid A and resid 317 and name HA ))
(( segid A and resid 303 and name HE3 ))
3.600 1.000 1.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.55652E-03 ppm1 3.569 ppm2 7.389 CV 1
ASSI { 399}
(( segid A and resid 315 and name HB3 ))
(( segid A and resid 303 and name HE3 ))
2.500 0.800 0.800 peak 399 spectrum 1 weight 0.10000E+01 volume 0.40361E-02 ppm1 3.152 ppm2 7.392 CV 1
ASSI { 401}
(( segid A and resid 328 and name HG2 ))
(( segid A and resid 303 and name HE3 ))
4.300 1.200 1.200 peak 401 spectrum 1 weight 0.10000E+01 volume 0.76742E-03 ppm1 0.212 ppm2 7.395 CV 1
ASSI { 406}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 303 and name HZ3 ))
2.600 0.800 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.36786E-02 ppm1 7.394 ppm2 6.712 CV 1
ASSI { 407}
(( segid A and resid 303 and name HZ3 ))
(( segid A and resid 324 and name HE22))
3.800 1.100 1.100 peak 407 spectrum 1 weight 0.11000E+01 volume 0.84037E-03 ppm1 6.712 ppm2 7.258 CV 1
ASSI { 408}
(( segid A and resid 303 and name HH2 ))
(( segid A and resid 303 and name HZ3 ))
2.500 0.800 0.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.57022E-02 ppm1 7.052 ppm2 6.712 CV 1
ASSI { 409}
(( segid A and resid 303 and name HZ3 ))
(( segid A and resid 315 and name HB2 ))
3.200 0.900 0.900 peak 409 spectrum 1 weight 0.11000E+01 volume 0.16677E-02 ppm1 6.711 ppm2 3.316 CV 1
ASSI { 413}
(( segid A and resid 303 and name HZ3 ))
(( segid A and resid 324 and name HB3 ))
5.200 1.300 0.800 peak 413 spectrum 1 weight 0.11000E+01 volume 0.44083E-03 ppm1 6.714 ppm2 2.233 CV 1
ASSI { 414}
(( segid A and resid 324 and name HE21))
(( segid A and resid 303 and name HH2 ))
3.700 1.000 1.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.88006E-03 ppm1 8.045 ppm2 7.045 CV 1
ASSI { 416}
(( segid A and resid 324 and name HE22))
(( segid A and resid 303 and name HH2 ))
3.100 0.900 0.900 peak 416 spectrum 1 weight 0.10000E+01 volume 0.20321E-02 ppm1 7.250 ppm2 7.053 CV 1
ASSI { 420}
(( segid A and resid 315 and name HB3 ))
(( segid A and resid 303 and name HH2 ))
4.600 1.200 1.200 peak 420 spectrum 1 weight 0.10000E+01 volume 0.54424E-03 ppm1 3.165 ppm2 7.046 CV 1
ASSI { 422}
(( segid A and resid 324 and name HG3 ))
(( segid A and resid 303 and name HH2 ))
4.200 1.100 1.100 peak 422 spectrum 1 weight 0.10000E+01 volume 0.78896E-03 ppm1 2.550 ppm2 7.045 CV 1
ASSI { 424}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 303 and name HH2 ))
3.800 1.100 1.100 peak 424 spectrum 1 weight 0.10000E+01 volume 0.77044E-03 ppm1 0.857 ppm2 7.051 CV 1
OR { 424}
(( segid A and resid 328 and name HB2 ))
(( segid A and resid 303 and name HH2 ))
ASSI { 425}
(( segid A and resid 317 and name HB3 ))
(( segid A and resid 303 and name HH2 ))
3.800 1.100 1.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.10271E-02 ppm1 0.087 ppm2 7.044 CV 1
ASSI { 426}
(( segid A and resid 303 and name HE1 ))
(( segid A and resid 303 and name HH2 ))
4.400 1.200 1.200 peak 426 spectrum 1 weight 0.10000E+01 volume 0.71936E-03 ppm1 10.162 ppm2 7.054 CV 1
ASSI { 427}
(( segid A and resid 307 and name HB3 ))
(( segid A and resid 307 and name HA ))
2.200 0.700 0.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.89322E-02 ppm1 2.473 ppm2 5.868 CV 1
OR { 427}
(( segid A and resid 307 and name HB2 ))
(( segid A and resid 307 and name HA ))
ASSI { 428}
(( segid A and resid 313 and name HB ))
(( segid A and resid 307 and name HA ))
4.600 1.200 1.200 peak 428 spectrum 1 weight 0.10000E+01 volume 0.57289E-03 ppm1 1.969 ppm2 5.868 CV 1
ASSI { 429}
( segid A and resid 308 and name HG2%)
(( segid A and resid 307 and name HA ))
3.300 1.000 1.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.20075E-02 ppm1 1.455 ppm2 5.866 CV 1
ASSI { 430}
(( segid A and resid 307 and name HA ))
( segid A and resid 313 and name HG2%)
4.100 1.100 1.100 peak 430 spectrum 1 weight 0.11000E+01 volume 0.97086E-03 ppm1 5.866 ppm2 1.013 CV 1
ASSI { 431}
(( segid A and resid 307 and name HA ))
( segid A and resid 313 and name HG1%)
4.100 1.100 1.100 peak 431 spectrum 1 weight 0.11000E+01 volume 0.11495E-02 ppm1 5.872 ppm2 0.748 CV 1
ASSI { 432}
(( segid A and resid 308 and name HN ))
(( segid A and resid 307 and name HA ))
2.200 0.700 0.700 peak 432 spectrum 1 weight 0.10000E+01 volume 0.85413E-02 ppm1 9.578 ppm2 5.867 CV 1
ASSI { 433}
(( segid A and resid 307 and name HA ))
(( segid A and resid 314 and name HN ))
3.100 0.900 0.900 peak 433 spectrum 1 weight 0.11000E+01 volume 0.23955E-02 ppm1 5.867 ppm2 8.887 CV 1
ASSI { 434}
(( segid A and resid 313 and name HN ))
(( segid A and resid 307 and name HA ))
4.400 1.200 1.200 peak 434 spectrum 1 weight 0.10000E+01 volume 0.69089E-03 ppm1 8.609 ppm2 5.873 CV 1
ASSI { 435}
(( segid A and resid 307 and name HA ))
(( segid A and resid 307 and name HN ))
2.900 0.900 0.900 peak 435 spectrum 1 weight 0.11000E+01 volume 0.19689E-02 ppm1 5.868 ppm2 8.183 CV 1
ASSI { 436}
(( segid A and resid 307 and name HA ))
( segid A and resid 314 and name HD% )
2.600 0.800 0.800 peak 436 spectrum 1 weight 0.11000E+01 volume 0.25681E-02 ppm1 5.866 ppm2 6.850 CV 1
ASSI { 437}
(( segid A and resid 307 and name HD21))
(( segid A and resid 307 and name HA ))
4.000 1.100 1.100 peak 437 spectrum 1 weight 0.10000E+01 volume 0.61774E-03 ppm1 7.055 ppm2 5.865 CV 1
ASSI { 439}
(( segid A and resid 307 and name HA ))
(( segid A and resid 313 and name HA ))
2.200 0.700 0.700 peak 439 spectrum 1 weight 0.11000E+01 volume 0.71610E-02 ppm1 5.868 ppm2 4.593 CV 1
ASSI { 440}
(( segid A and resid 317 and name HA ))
(( segid A and resid 316 and name HA ))
3.900 1.100 1.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.99256E-03 ppm1 3.591 ppm2 4.261 CV 1
ASSI { 443}
( segid A and resid 323 and name HG2%)
(( segid A and resid 316 and name HA ))
2.500 0.800 0.800 peak 443 spectrum 1 weight 0.10000E+01 volume 0.51969E-02 ppm1 1.244 ppm2 4.258 CV 1
ASSI { 444}
( segid A and resid 316 and name HG2%)
(( segid A and resid 316 and name HA ))
2.400 0.800 0.800 peak 444 spectrum 1 weight 0.10000E+01 volume 0.56668E-02 ppm1 0.584 ppm2 4.257 CV 1
ASSI { 446}
(( segid A and resid 317 and name HB3 ))
(( segid A and resid 316 and name HA ))
4.600 1.200 1.200 peak 446 spectrum 1 weight 0.10000E+01 volume 0.82404E-03 ppm1 0.095 ppm2 4.259 CV 1
ASSI { 447}
(( segid A and resid 306 and name HB3 ))
(( segid A and resid 305 and name HA ))
4.600 1.200 1.200 peak 447 spectrum 1 weight 0.10000E+01 volume 0.78571E-03 ppm1 0.157 ppm2 4.461 CV 1
ASSI { 448}
( segid A and resid 305 and name HG2%)
(( segid A and resid 305 and name HA ))
2.500 0.800 0.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.60123E-02 ppm1 0.747 ppm2 4.457 CV 1
ASSI { 449}
(( segid A and resid 305 and name HG13))
(( segid A and resid 305 and name HA ))
2.800 0.900 0.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.38524E-02 ppm1 0.864 ppm2 4.465 CV 1
ASSI { 450}
( segid A and resid 299 and name HD1%)
(( segid A and resid 305 and name HA ))
3.500 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.11137E-02 ppm1 1.074 ppm2 4.461 CV 1
ASSI { 451}
( segid A and resid 310 and name HG2%)
(( segid A and resid 310 and name HA ))
2.300 0.800 0.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.11439E-01 ppm1 1.235 ppm2 4.453 CV 1
ASSI { 453}
(( segid A and resid 299 and name HG ))
(( segid A and resid 305 and name HA ))
4.100 1.100 1.100 peak 453 spectrum 1 weight 0.10000E+01 volume 0.65778E-03 ppm1 1.797 ppm2 4.461 CV 1
OR { 453}
(( segid A and resid 299 and name HB2 ))
(( segid A and resid 305 and name HA ))
ASSI { 455}
(( segid A and resid 304 and name HG3 ))
(( segid A and resid 305 and name HA ))
4.400 1.200 1.200 peak 455 spectrum 1 weight 0.10000E+01 volume 0.54228E-03 ppm1 2.181 ppm2 4.457 CV 1
OR { 455}
(( segid A and resid 304 and name HB2 ))
(( segid A and resid 305 and name HA ))
ASSI { 459}
(( segid A and resid 316 and name HA ))
(( segid A and resid 316 and name HN ))
2.800 0.900 0.900 peak 459 spectrum 1 weight 0.11000E+01 volume 0.21040E-02 ppm1 4.254 ppm2 9.464 CV 1
ASSI { 460}
(( segid A and resid 324 and name HN ))
(( segid A and resid 316 and name HA ))
3.700 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.11883E-02 ppm1 9.130 ppm2 4.256 CV 1
ASSI { 461}
(( segid A and resid 305 and name HA ))
(( segid A and resid 316 and name HN ))
3.400 1.000 1.000 peak 461 spectrum 1 weight 0.11000E+01 volume 0.14911E-02 ppm1 4.458 ppm2 9.459 CV 1
ASSI { 462}
(( segid A and resid 305 and name HA ))
(( segid A and resid 305 and name HN ))
2.600 0.800 0.800 peak 462 spectrum 1 weight 0.11000E+01 volume 0.36260E-02 ppm1 4.461 ppm2 8.634 CV 1
ASSI { 463}
(( segid A and resid 305 and name HA ))
(( segid A and resid 306 and name HN ))
2.000 0.700 0.700 peak 463 spectrum 1 weight 0.11000E+01 volume 0.16252E-01 ppm1 4.457 ppm2 8.298 CV 1
ASSI { 464}
(( segid A and resid 311 and name HN ))
(( segid A and resid 310 and name HA ))
3.200 0.900 0.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.17963E-02 ppm1 8.037 ppm2 4.456 CV 1
ASSI { 465}
(( segid A and resid 316 and name HA ))
(( segid A and resid 317 and name HN ))
2.100 0.700 0.700 peak 465 spectrum 1 weight 0.11000E+01 volume 0.12379E-01 ppm1 4.253 ppm2 8.279 CV 1
ASSI { 466}
(( segid A and resid 305 and name HA ))
( segid A and resid 315 and name HD% )
3.000 0.900 0.900 peak 466 spectrum 1 weight 0.11000E+01 volume 0.15364E-02 ppm1 4.461 ppm2 7.058 CV 1
ASSI { 468}
(( segid A and resid 323 and name HA ))
(( segid A and resid 316 and name HA ))
2.400 0.800 0.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.58638E-02 ppm1 5.575 ppm2 4.253 CV 1
ASSI { 471}
( segid A and resid 314 and name HE% )
(( segid A and resid 308 and name HA ))
2.500 0.800 0.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.42729E-02 ppm1 6.315 ppm2 4.713 CV 1
ASSI { 472}
( segid A and resid 308 and name HG2%)
(( segid A and resid 308 and name HA ))
2.300 0.800 0.800 peak 472 spectrum 1 weight 0.10000E+01 volume 0.74308E-02 ppm1 1.451 ppm2 4.711 CV 1
ASSI { 473}
(( segid A and resid 319 and name HB3 ))
(( segid A and resid 319 and name HB2 ))
1.700 0.600 0.600 peak 473 spectrum 1 weight 0.10000E+01 volume 0.25310E-01 ppm1 2.605 ppm2 3.054 CV 1
ASSI { 476}
(( segid A and resid 304 and name HG2 ))
( segid A and resid 305 and name HD1%)
4.400 1.200 1.200 peak 476 spectrum 1 weight 0.10000E+01 volume 0.67878E-03 ppm1 2.470 ppm2 0.942 CV 1
ASSI { 478}
(( segid A and resid 299 and name HG ))
( segid A and resid 305 and name HD1%)
3.500 1.000 1.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.10508E-02 ppm1 1.800 ppm2 0.940 CV 1
OR { 478}
(( segid A and resid 299 and name HB2 ))
( segid A and resid 305 and name HD1%)
ASSI { 479}
(( segid A and resid 305 and name HG12))
( segid A and resid 305 and name HD1%)
2.000 0.700 0.700 peak 479 spectrum 1 weight 0.10000E+01 volume 0.17963E-01 ppm1 1.496 ppm2 0.942 CV 1
ASSI { 480}
( segid A and resid 305 and name HD1%)
(( segid A and resid 305 and name HN ))
3.800 1.100 1.100 peak 480 spectrum 1 weight 0.11000E+01 volume 0.17164E-02 ppm1 0.946 ppm2 8.629 CV 1
ASSI { 481}
(( segid A and resid 306 and name HN ))
( segid A and resid 305 and name HD1%)
4.900 1.300 1.100 peak 481 spectrum 1 weight 0.10000E+01 volume 0.87417E-03 ppm1 8.297 ppm2 0.946 CV 1
ASSI { 482}
( segid A and resid 315 and name HE% )
( segid A and resid 305 and name HD1%)
2.500 0.800 0.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.53415E-02 ppm1 7.249 ppm2 0.942 CV 1
ASSI { 483}
( segid A and resid 315 and name HD% )
( segid A and resid 305 and name HD1%)
3.500 1.000 1.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.20209E-02 ppm1 7.068 ppm2 0.942 CV 1
ASSI { 484}
(( segid A and resid 305 and name HA ))
( segid A and resid 305 and name HD1%)
3.500 1.000 1.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.25968E-02 ppm1 4.461 ppm2 0.942 CV 1
ASSI { 487}
(( segid A and resid 320 and name HN ))
(( segid A and resid 319 and name HB2 ))
2.500 0.800 0.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.34409E-02 ppm1 6.859 ppm2 3.053 CV 1
ASSI { 488}
(( segid A and resid 320 and name HN ))
(( segid A and resid 319 and name HB3 ))
3.600 1.000 1.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.26673E-02 ppm1 6.862 ppm2 2.605 CV 1
ASSI { 489}
(( segid A and resid 319 and name HD22))
(( segid A and resid 319 and name HB3 ))
3.900 1.100 1.100 peak 489 spectrum 1 weight 0.10000E+01 volume 0.16699E-02 ppm1 7.547 ppm2 2.609 CV 1
ASSI { 490}
(( segid A and resid 319 and name HD21))
(( segid A and resid 319 and name HB3 ))
3.300 1.000 1.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.32430E-02 ppm1 7.816 ppm2 2.607 CV 1
ASSI { 491}
(( segid A and resid 319 and name HD22))
(( segid A and resid 319 and name HB2 ))
3.700 1.000 1.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.23450E-02 ppm1 7.542 ppm2 3.054 CV 1
ASSI { 492}
(( segid A and resid 319 and name HD21))
(( segid A and resid 319 and name HB2 ))
2.300 0.800 0.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.42509E-02 ppm1 7.817 ppm2 3.055 CV 1
ASSI { 493}
(( segid A and resid 319 and name HN ))
(( segid A and resid 319 and name HB2 ))
2.600 0.800 0.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.40380E-02 ppm1 8.478 ppm2 3.053 CV 1
ASSI { 494}
(( segid A and resid 319 and name HN ))
(( segid A and resid 319 and name HB3 ))
3.300 1.000 1.000 peak 494 spectrum 1 weight 0.10000E+01 volume 0.33247E-02 ppm1 8.477 ppm2 2.607 CV 1
ASSI { 495}
(( segid A and resid 318 and name HN ))
(( segid A and resid 319 and name HB2 ))
4.600 1.200 1.200 peak 495 spectrum 1 weight 0.10000E+01 volume 0.50384E-03 ppm1 8.780 ppm2 3.049 CV 1
ASSI { 497}
(( segid A and resid 317 and name HB3 ))
(( segid A and resid 317 and name HN ))
3.000 0.900 0.900 peak 497 spectrum 1 weight 0.11000E+01 volume 0.25024E-02 ppm1 0.090 ppm2 8.277 CV 1
ASSI { 500}
(( segid A and resid 320 and name HN ))
(( segid A and resid 317 and name HB3 ))
3.700 1.000 1.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.52501E-03 ppm1 6.821 ppm2 0.098 CV 1
ASSI { 501}
(( segid A and resid 303 and name HZ3 ))
(( segid A and resid 317 and name HB3 ))
4.100 1.100 1.100 peak 501 spectrum 1 weight 0.10000E+01 volume 0.59994E-03 ppm1 6.707 ppm2 0.092 CV 1
ASSI { 505}
(( segid A and resid 317 and name HB2 ))
(( segid A and resid 317 and name HB3 ))
1.900 0.700 0.700 peak 505 spectrum 1 weight 0.10000E+01 volume 0.14031E-01 ppm1 2.246 ppm2 0.090 CV 1
ASSI { 508}
( segid A and resid 322 and name HG2%)
(( segid A and resid 317 and name HB2 ))
3.100 0.900 0.900 peak 508 spectrum 1 weight 0.10000E+01 volume 0.17275E-02 ppm1 0.962 ppm2 2.245 CV 1
ASSI { 510}
(( segid A and resid 316 and name HA ))
(( segid A and resid 317 and name HB2 ))
4.400 1.200 1.200 peak 510 spectrum 1 weight 0.10000E+01 volume 0.68644E-03 ppm1 4.241 ppm2 2.239 CV 1
ASSI { 511}
(( segid A and resid 320 and name HN ))
(( segid A and resid 317 and name HB2 ))
4.100 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.60083E-03 ppm1 6.870 ppm2 2.250 CV 1
ASSI { 512}
(( segid A and resid 303 and name HH2 ))
(( segid A and resid 317 and name HB2 ))
3.400 1.000 1.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.90713E-03 ppm1 7.048 ppm2 2.244 CV 1
ASSI { 514}
(( segid A and resid 317 and name HB2 ))
(( segid A and resid 317 and name HN ))
2.600 0.800 0.800 peak 514 spectrum 1 weight 0.11000E+01 volume 0.35744E-02 ppm1 2.252 ppm2 8.275 CV 1
ASSI { 515}
(( segid A and resid 317 and name HB2 ))
(( segid A and resid 318 and name HN ))
4.500 1.200 1.200 peak 515 spectrum 1 weight 0.11000E+01 volume 0.57502E-03 ppm1 2.254 ppm2 8.794 CV 1
ASSI { 516}
( segid A and resid 326 and name HG2%)
(( segid A and resid 326 and name HA ))
2.500 0.800 0.800 peak 516 spectrum 1 weight 0.10000E+01 volume 0.62947E-02 ppm1 1.166 ppm2 4.248 CV 1
ASSI { 517}
(( segid A and resid 326 and name HA ))
(( segid A and resid 327 and name HB3 ))
4.000 1.100 1.100 peak 517 spectrum 1 weight 0.11000E+01 volume 0.18630E-02 ppm1 4.244 ppm2 2.363 CV 1
ASSI { 518}
(( segid A and resid 326 and name HA ))
(( segid A and resid 327 and name HB2 ))
3.700 1.000 1.000 peak 518 spectrum 1 weight 0.11000E+01 volume 0.16530E-02 ppm1 4.249 ppm2 2.656 CV 1
ASSI { 519}
(( segid A and resid 326 and name HA ))
(( segid A and resid 327 and name HA ))
3.800 1.100 1.100 peak 519 spectrum 1 weight 0.11000E+01 volume 0.10016E-02 ppm1 4.249 ppm2 2.757 CV 1
ASSI { 520}
(( segid A and resid 326 and name HB ))
(( segid A and resid 326 and name HA ))
2.300 0.800 0.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.12974E-01 ppm1 3.982 ppm2 4.247 CV 1
ASSI { 522}
(( segid A and resid 326 and name HN ))
(( segid A and resid 326 and name HA ))
3.000 0.900 0.900 peak 522 spectrum 1 weight 0.10000E+01 volume 0.19221E-02 ppm1 7.448 ppm2 4.246 CV 1
ASSI { 523}
(( segid A and resid 326 and name HA ))
(( segid A and resid 327 and name HN ))
2.100 0.700 0.700 peak 523 spectrum 1 weight 0.11000E+01 volume 0.16314E-01 ppm1 4.247 ppm2 8.536 CV 1
ASSI { 524}
(( segid A and resid 298 and name HA ))
(( segid A and resid 299 and name HN ))
2.200 0.700 0.700 peak 524 spectrum 1 weight 0.11000E+01 volume 0.11431E-01 ppm1 4.446 ppm2 8.667 CV 1
ASSI { 525}
(( segid A and resid 313 and name HA ))
(( segid A and resid 314 and name HN ))
2.000 0.700 0.700 peak 525 spectrum 1 weight 0.11000E+01 volume 0.15891E-01 ppm1 4.591 ppm2 8.890 CV 1
ASSI { 526}
(( segid A and resid 313 and name HA ))
(( segid A and resid 313 and name HN ))
2.600 0.800 0.800 peak 526 spectrum 1 weight 0.11000E+01 volume 0.37527E-02 ppm1 4.592 ppm2 8.586 CV 1
ASSI { 527}
(( segid A and resid 307 and name HD21))
(( segid A and resid 313 and name HA ))
3.200 0.900 0.900 peak 527 spectrum 1 weight 0.10000E+01 volume 0.12412E-02 ppm1 7.055 ppm2 4.589 CV 1
ASSI { 530}
( segid A and resid 313 and name HG1%)
(( segid A and resid 313 and name HA ))
2.500 0.800 0.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.71181E-02 ppm1 0.750 ppm2 4.591 CV 1
ASSI { 531}
( segid A and resid 313 and name HG2%)
(( segid A and resid 313 and name HA ))
2.400 0.800 0.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.75184E-02 ppm1 1.013 ppm2 4.592 CV 1
ASSI { 533}
(( segid A and resid 307 and name HB3 ))
(( segid A and resid 313 and name HA ))
3.300 1.000 1.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.21376E-02 ppm1 2.475 ppm2 4.589 CV 1
OR { 533}
(( segid A and resid 307 and name HB2 ))
(( segid A and resid 313 and name HA ))
ASSI { 534}
(( segid A and resid 298 and name HD3 ))
(( segid A and resid 298 and name HA ))
3.100 0.900 0.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.24683E-02 ppm1 3.603 ppm2 4.446 CV 1
OR { 534}
(( segid A and resid 298 and name HD2 ))
(( segid A and resid 298 and name HA ))
ASSI { 536}
(( segid A and resid 298 and name HG3 ))
(( segid A and resid 298 and name HA ))
2.900 0.900 0.900 peak 536 spectrum 1 weight 0.10000E+01 volume 0.57025E-02 ppm1 2.004 ppm2 4.446 CV 1
OR { 536}
(( segid A and resid 298 and name HG2 ))
(( segid A and resid 298 and name HA ))
ASSI { 538}
( segid A and resid 299 and name HD2%)
(( segid A and resid 298 and name HA ))
3.900 1.100 1.100 peak 538 spectrum 1 weight 0.10000E+01 volume 0.84718E-03 ppm1 0.874 ppm2 4.444 CV 1
ASSI { 539}
(( segid A and resid 298 and name HA ))
(( segid A and resid 305 and name HG12))
4.200 4.200 1.800 peak 539 spectrum 1 weight 0.11000E+01 volume 0.74588E-03 ppm1 4.447 ppm2 1.525 CV 1
ASSI { 540}
(( segid A and resid 302 and name HN ))
(( segid A and resid 301 and name HA ))
2.800 0.900 0.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.27221E-02 ppm1 9.016 ppm2 4.496 CV 1
ASSI { 541}
(( segid A and resid 303 and name HN ))
(( segid A and resid 301 and name HA ))
4.000 1.100 1.100 peak 541 spectrum 1 weight 0.10000E+01 volume 0.17262E-02 ppm1 7.687 ppm2 4.496 CV 1
ASSI { 543}
(( segid A and resid 301 and name HD3 ))
(( segid A and resid 301 and name HA ))
3.400 1.000 1.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.12600E-02 ppm1 3.678 ppm2 4.499 CV 1
ASSI { 544}
(( segid A and resid 301 and name HB2 ))
(( segid A and resid 301 and name HA ))
2.700 0.800 0.800 peak 544 spectrum 1 weight 0.10000E+01 volume 0.63785E-02 ppm1 2.060 ppm2 4.497 CV 1
ASSI { 545}
(( segid A and resid 301 and name HB3 ))
(( segid A and resid 301 and name HA ))
2.200 0.700 0.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.10228E-01 ppm1 2.417 ppm2 4.493 CV 1
ASSI { 546}
(( segid A and resid 301 and name HG3 ))
(( segid A and resid 301 and name HA ))
3.600 1.000 1.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.21832E-02 ppm1 2.190 ppm2 4.503 CV 1
ASSI { 547}
(( segid A and resid 329 and name HN ))
(( segid A and resid 328 and name HA ))
3.000 0.900 0.900 peak 547 spectrum 1 weight 0.10000E+01 volume 0.20511E-02 ppm1 8.535 ppm2 3.947 CV 1
ASSI { 548}
(( segid A and resid 324 and name HE21))
(( segid A and resid 328 and name HA ))
4.000 1.100 1.100 peak 548 spectrum 1 weight 0.10000E+01 volume 0.13675E-02 ppm1 8.048 ppm2 3.954 CV 1
ASSI { 549}
(( segid A and resid 328 and name HA ))
(( segid A and resid 324 and name HE22))
2.800 0.900 0.900 peak 549 spectrum 1 weight 0.11000E+01 volume 0.29421E-02 ppm1 3.949 ppm2 7.244 CV 1
ASSI { 550}
(( segid A and resid 328 and name HD2 ))
(( segid A and resid 328 and name HA ))
3.500 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.17826E-02 ppm1 2.778 ppm2 3.951 CV 1
ASSI { 551}
(( segid A and resid 328 and name HD3 ))
(( segid A and resid 328 and name HA ))
3.100 0.900 0.900 peak 551 spectrum 1 weight 0.10000E+01 volume 0.16398E-02 ppm1 2.609 ppm2 3.952 CV 1
ASSI { 552}
( segid A and resid 326 and name HG2%)
(( segid A and resid 328 and name HA ))
3.400 3.400 2.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.10274E-02 ppm1 1.168 ppm2 3.951 CV 1
ASSI { 553}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 328 and name HA ))
2.200 0.700 0.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.12306E-01 ppm1 0.859 ppm2 3.947 CV 1
OR { 553}
(( segid A and resid 328 and name HB2 ))
(( segid A and resid 328 and name HA ))
ASSI { 554}
(( segid A and resid 328 and name HG3 ))
(( segid A and resid 328 and name HA ))
3.600 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.25078E-02 ppm1 0.545 ppm2 3.947 CV 1
ASSI { 555}
(( segid A and resid 328 and name HG2 ))
(( segid A and resid 328 and name HA ))
3.500 1.000 1.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.18651E-02 ppm1 0.213 ppm2 3.951 CV 1
ASSI { 556}
(( segid A and resid 305 and name HB ))
(( segid A and resid 305 and name HN ))
2.400 0.800 0.800 peak 556 spectrum 1 weight 0.11000E+01 volume 0.59375E-02 ppm1 1.563 ppm2 8.637 CV 1
ASSI { 557}
(( segid A and resid 306 and name HN ))
(( segid A and resid 305 and name HB ))
4.100 1.100 1.100 peak 557 spectrum 1 weight 0.10000E+01 volume 0.86479E-03 ppm1 8.294 ppm2 1.561 CV 1
ASSI { 558}
( segid A and resid 315 and name HE% )
(( segid A and resid 305 and name HB ))
3.300 3.300 2.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.55510E-03 ppm1 7.250 ppm2 1.554 CV 1
ASSI { 559}
( segid A and resid 315 and name HD% )
(( segid A and resid 305 and name HB ))
3.300 3.300 2.700 peak 559 spectrum 1 weight 0.10000E+01 volume 0.55207E-03 ppm1 7.070 ppm2 1.555 CV 1
ASSI { 560}
(( segid A and resid 304 and name HA ))
(( segid A and resid 305 and name HB ))
4.400 1.200 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.11625E-02 ppm1 4.822 ppm2 1.561 CV 1
ASSI { 561}
(( segid A and resid 305 and name HA ))
(( segid A and resid 305 and name HB ))
2.800 0.900 0.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.34047E-02 ppm1 4.461 ppm2 1.563 CV 1
ASSI { 562}
(( segid A and resid 304 and name HG2 ))
(( segid A and resid 305 and name HB ))
4.200 1.100 1.100 peak 562 spectrum 1 weight 0.10000E+01 volume 0.55438E-03 ppm1 2.479 ppm2 1.574 CV 1
ASSI { 563}
( segid A and resid 299 and name HD1%)
(( segid A and resid 305 and name HB ))
3.700 1.000 1.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.16680E-02 ppm1 1.073 ppm2 1.559 CV 1
ASSI { 564}
(( segid A and resid 305 and name HB ))
( segid A and resid 305 and name HD1%)
2.600 0.800 0.800 peak 564 spectrum 1 weight 0.11000E+01 volume 0.61762E-02 ppm1 1.562 ppm2 0.932 CV 1
ASSI { 566}
(( segid A and resid 320 and name HD22))
(( segid A and resid 320 and name HB3 ))
3.500 1.000 1.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.43587E-02 ppm1 8.456 ppm2 2.209 CV 1
ASSI { 567}
(( segid A and resid 321 and name HN ))
(( segid A and resid 320 and name HB3 ))
4.100 1.100 1.100 peak 567 spectrum 1 weight 0.10000E+01 volume 0.83735E-03 ppm1 7.528 ppm2 2.206 CV 1
ASSI { 568}
(( segid A and resid 320 and name HN ))
(( segid A and resid 320 and name HB3 ))
3.400 1.000 1.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.29672E-02 ppm1 6.879 ppm2 2.216 CV 1
ASSI { 569}
(( segid A and resid 320 and name HA ))
(( segid A and resid 320 and name HB3 ))
2.700 0.800 0.800 peak 569 spectrum 1 weight 0.10000E+01 volume 0.36794E-02 ppm1 4.602 ppm2 2.209 CV 1
ASSI { 570}
(( segid A and resid 320 and name HB2 ))
(( segid A and resid 320 and name HB3 ))
1.700 0.600 0.600 peak 570 spectrum 1 weight 0.10000E+01 volume 0.21320E-01 ppm1 2.602 ppm2 2.216 CV 1
ASSI { 571}
( segid A and resid 322 and name HG2%)
(( segid A and resid 320 and name HB3 ))
3.300 1.000 1.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.31773E-02 ppm1 0.961 ppm2 2.209 CV 1
ASSI { 572}
(( segid A and resid 320 and name HB3 ))
(( segid A and resid 317 and name HB3 ))
4.700 1.200 1.200 peak 572 spectrum 1 weight 0.11000E+01 volume 0.58233E-03 ppm1 2.235 ppm2 0.080 CV 1
ASSI { 573}
(( segid A and resid 315 and name HN ))
(( segid A and resid 314 and name HB2 ))
2.400 0.800 0.800 peak 573 spectrum 1 weight 0.10000E+01 volume 0.37563E-02 ppm1 9.077 ppm2 2.611 CV 1
ASSI { 574}
(( segid A and resid 320 and name HD22))
(( segid A and resid 320 and name HB2 ))
3.500 3.500 2.500 peak 574 spectrum 1 weight 0.10000E+01 volume 0.36569E-02 ppm1 8.455 ppm2 2.601 CV 1
ASSI { 575}
( segid A and resid 325 and name HD% )
(( segid A and resid 314 and name HB2 ))
2.700 0.800 0.800 peak 575 spectrum 1 weight 0.10000E+01 volume 0.15996E-02 ppm1 7.702 ppm2 2.611 CV 1
ASSI { 576}
(( segid A and resid 321 and name HN ))
(( segid A and resid 320 and name HB2 ))
3.400 1.000 1.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.93011E-03 ppm1 7.533 ppm2 2.608 CV 1
ASSI { 577}
( segid A and resid 325 and name HE% )
(( segid A and resid 314 and name HB2 ))
3.800 1.100 1.100 peak 577 spectrum 1 weight 0.10000E+01 volume 0.93185E-03 ppm1 7.185 ppm2 2.611 CV 1
ASSI { 580}
(( segid A and resid 314 and name HA ))
(( segid A and resid 314 and name HB2 ))
2.300 0.800 0.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.46168E-02 ppm1 4.942 ppm2 2.611 CV 1
ASSI { 581}
(( segid A and resid 320 and name HA ))
(( segid A and resid 320 and name HB2 ))
2.800 0.900 0.900 peak 581 spectrum 1 weight 0.10000E+01 volume 0.67617E-02 ppm1 4.602 ppm2 2.604 CV 1
ASSI { 582}
(( segid A and resid 314 and name HB3 ))
(( segid A and resid 314 and name HB2 ))
1.700 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.12460E-01 ppm1 3.047 ppm2 2.605 CV 1
ASSI { 584}
( segid A and resid 322 and name HG2%)
(( segid A and resid 320 and name HB2 ))
2.500 0.800 0.800 peak 584 spectrum 1 weight 0.10000E+01 volume 0.40528E-02 ppm1 0.963 ppm2 2.604 CV 1
ASSI { 585}
(( segid A and resid 315 and name HN ))
(( segid A and resid 314 and name HB3 ))
3.500 1.000 1.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.26370E-02 ppm1 9.077 ppm2 3.039 CV 1
ASSI { 586}
(( segid A and resid 314 and name HB3 ))
(( segid A and resid 314 and name HN ))
3.100 0.900 0.900 peak 586 spectrum 1 weight 0.11000E+01 volume 0.89609E-03 ppm1 3.041 ppm2 8.892 CV 1
ASSI { 587}
(( segid A and resid 314 and name HB3 ))
( segid A and resid 325 and name HD% )
2.100 0.700 0.700 peak 587 spectrum 1 weight 0.11000E+01 volume 0.68489E-02 ppm1 3.024 ppm2 7.708 CV 1
ASSI { 588}
( segid A and resid 325 and name HE% )
(( segid A and resid 314 and name HB3 ))
2.400 0.800 0.800 peak 588 spectrum 1 weight 0.10000E+01 volume 0.21235E-02 ppm1 7.176 ppm2 3.038 CV 1
ASSI { 589}
( segid A and resid 314 and name HD% )
(( segid A and resid 314 and name HB3 ))
2.300 0.800 0.800 peak 589 spectrum 1 weight 0.10000E+01 volume 0.49891E-02 ppm1 6.852 ppm2 3.039 CV 1
ASSI { 590}
( segid A and resid 314 and name HE% )
(( segid A and resid 314 and name HB3 ))
4.100 1.100 1.100 peak 590 spectrum 1 weight 0.10000E+01 volume 0.59977E-03 ppm1 6.309 ppm2 3.042 CV 1
ASSI { 591}
(( segid A and resid 325 and name HA ))
(( segid A and resid 325 and name HB3 ))
2.600 0.800 0.800 peak 591 spectrum 1 weight 0.10000E+01 volume 0.35940E-02 ppm1 5.208 ppm2 3.024 CV 1
ASSI { 593}
(( segid A and resid 325 and name HB2 ))
(( segid A and resid 325 and name HB3 ))
1.800 0.700 0.700 peak 593 spectrum 1 weight 0.10000E+01 volume 0.18353E-01 ppm1 3.584 ppm2 3.020 CV 1
ASSI { 595}
( segid A and resid 308 and name HG2%)
(( segid A and resid 314 and name HB3 ))
3.300 1.000 1.000 peak 595 spectrum 1 weight 0.10000E+01 volume 0.83077E-03 ppm1 1.444 ppm2 3.042 CV 1
ASSI { 599}
( segid A and resid 325 and name HE% )
(( segid A and resid 325 and name HB2 ))
4.000 1.100 1.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.80030E-03 ppm1 7.183 ppm2 3.582 CV 1
ASSI { 601}
(( segid A and resid 331 and name HA ))
(( segid A and resid 331 and name HB2 ))
2.400 0.800 0.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.78851E-02 ppm1 4.370 ppm2 3.788 CV 1
OR { 601}
(( segid A and resid 331 and name HA ))
(( segid A and resid 331 and name HB3 ))
ASSI { 602}
(( segid A and resid 296 and name HA ))
(( segid A and resid 296 and name HB2 ))
2.300 0.800 0.800 peak 602 spectrum 1 weight 0.10000E+01 volume 0.11516E-01 ppm1 4.594 ppm2 3.802 CV 1
OR { 602}
(( segid A and resid 296 and name HA ))
(( segid A and resid 296 and name HB3 ))
ASSI { 603}
(( segid A and resid 314 and name HN ))
( segid A and resid 305 and name HG2%)
3.100 0.900 0.900 peak 603 spectrum 1 weight 0.10000E+01 volume 0.20401E-02 ppm1 8.889 ppm2 0.750 CV 1
ASSI { 604}
( segid A and resid 305 and name HG2%)
(( segid A and resid 305 and name HN ))
3.300 1.000 1.000 peak 604 spectrum 1 weight 0.11000E+01 volume 0.41756E-02 ppm1 0.749 ppm2 8.634 CV 1
ASSI { 605}
( segid A and resid 305 and name HG2%)
(( segid A and resid 306 and name HN ))
2.500 0.800 0.800 peak 605 spectrum 1 weight 0.11000E+01 volume 0.56290E-02 ppm1 0.748 ppm2 8.297 CV 1
ASSI { 606}
( segid A and resid 305 and name HG2%)
( segid A and resid 315 and name HE% )
3.500 1.000 1.000 peak 606 spectrum 1 weight 0.11000E+01 volume 0.15154E-02 ppm1 0.748 ppm2 7.242 CV 1
ASSI { 608}
(( segid A and resid 307 and name HD22))
( segid A and resid 305 and name HG2%)
3.600 1.000 1.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.59834E-03 ppm1 6.744 ppm2 0.754 CV 1
ASSI { 609}
(( segid A and resid 307 and name HA ))
( segid A and resid 305 and name HG2%)
4.000 1.100 1.100 peak 609 spectrum 1 weight 0.10000E+01 volume 0.51523E-03 ppm1 5.865 ppm2 0.751 CV 1
ASSI { 611}
(( segid A and resid 313 and name HA ))
( segid A and resid 305 and name HG2%)
3.300 1.000 1.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.14453E-02 ppm1 4.596 ppm2 0.749 CV 1
ASSI { 614}
(( segid A and resid 304 and name HG3 ))
( segid A and resid 305 and name HG2%)
4.400 1.200 1.200 peak 614 spectrum 1 weight 0.10000E+01 volume 0.59692E-03 ppm1 2.193 ppm2 0.752 CV 1
OR { 614}
(( segid A and resid 304 and name HB2 ))
( segid A and resid 305 and name HG2%)
ASSI { 615}
(( segid A and resid 313 and name HB ))
( segid A and resid 305 and name HG2%)
3.200 0.900 0.900 peak 615 spectrum 1 weight 0.10000E+01 volume 0.19949E-02 ppm1 1.970 ppm2 0.749 CV 1
ASSI { 616}
(( segid A and resid 305 and name HB ))
( segid A and resid 305 and name HG2%)
2.200 0.700 0.700 peak 616 spectrum 1 weight 0.10000E+01 volume 0.10934E-01 ppm1 1.554 ppm2 0.745 CV 1
ASSI { 617}
( segid A and resid 305 and name HD1%)
( segid A and resid 305 and name HG2%)
2.200 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.10133E-01 ppm1 0.968 ppm2 0.748 CV 1
ASSI { 618}
(( segid A and resid 298 and name HA ))
(( segid A and resid 299 and name HB3 ))
4.800 1.300 1.200 peak 618 spectrum 1 weight 0.10000E+01 volume 0.51772E-03 ppm1 4.450 ppm2 1.519 CV 1
ASSI { 619}
(( segid A and resid 330 and name HA ))
(( segid A and resid 330 and name HB3 ))
3.100 0.900 0.900 peak 619 spectrum 1 weight 0.10000E+01 volume 0.15727E-02 ppm1 4.289 ppm2 1.636 CV 1
ASSI { 620}
(( segid A and resid 299 and name HA ))
(( segid A and resid 299 and name HB3 ))
2.600 0.800 0.800 peak 620 spectrum 1 weight 0.10000E+01 volume 0.25917E-02 ppm1 4.168 ppm2 1.530 CV 1
ASSI { 621}
(( segid A and resid 299 and name HA ))
(( segid A and resid 299 and name HB2 ))
3.100 0.900 0.900 peak 621 spectrum 1 weight 0.10000E+01 volume 0.21987E-02 ppm1 4.164 ppm2 1.779 CV 1
ASSI { 622}
(( segid A and resid 298 and name HA ))
(( segid A and resid 299 and name HB2 ))
4.500 1.200 1.200 peak 622 spectrum 1 weight 0.10000E+01 volume 0.64497E-03 ppm1 4.441 ppm2 1.787 CV 1
ASSI { 628}
(( segid A and resid 300 and name HD3 ))
(( segid A and resid 299 and name HB2 ))
3.700 1.000 1.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.17835E-02 ppm1 2.773 ppm2 1.779 CV 1
ASSI { 629}
(( segid A and resid 299 and name HB3 ))
(( segid A and resid 299 and name HB2 ))
1.700 0.600 0.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.14592E-01 ppm1 1.531 ppm2 1.777 CV 1
ASSI { 631}
(( segid A and resid 330 and name HG ))
(( segid A and resid 330 and name HB3 ))
2.600 0.800 0.800 peak 631 spectrum 1 weight 0.10000E+01 volume 0.68467E-02 ppm1 1.368 ppm2 1.644 CV 1
ASSI { 632}
(( segid A and resid 330 and name HG ))
(( segid A and resid 330 and name HB2 ))
2.300 0.800 0.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.75925E-02 ppm1 1.369 ppm2 1.568 CV 1
ASSI { 633}
( segid A and resid 299 and name HD1%)
(( segid A and resid 299 and name HB3 ))
2.700 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.36707E-02 ppm1 1.088 ppm2 1.533 CV 1
ASSI { 635}
( segid A and resid 330 and name HD1%)
(( segid A and resid 330 and name HB3 ))
3.100 0.900 0.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.20293E-02 ppm1 0.898 ppm2 1.641 CV 1
ASSI { 636}
( segid A and resid 330 and name HD2%)
(( segid A and resid 330 and name HB3 ))
2.900 0.900 0.900 peak 636 spectrum 1 weight 0.10000E+01 volume 0.20376E-02 ppm1 0.760 ppm2 1.626 CV 1
ASSI { 637}
( segid A and resid 299 and name HD2%)
(( segid A and resid 299 and name HB2 ))
3.400 1.000 1.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.21501E-02 ppm1 0.864 ppm2 1.778 CV 1
ASSI { 638}
( segid A and resid 299 and name HD1%)
(( segid A and resid 299 and name HB2 ))
2.400 0.800 0.800 peak 638 spectrum 1 weight 0.10000E+01 volume 0.44744E-02 ppm1 1.081 ppm2 1.773 CV 1
ASSI { 639}
(( segid A and resid 299 and name HB2 ))
(( segid A and resid 299 and name HN ))
2.700 0.800 0.800 peak 639 spectrum 1 weight 0.11000E+01 volume 0.25608E-02 ppm1 1.773 ppm2 8.667 CV 1
ASSI { 640}
(( segid A and resid 299 and name HB3 ))
(( segid A and resid 299 and name HN ))
3.600 1.000 1.000 peak 640 spectrum 1 weight 0.11000E+01 volume 0.17032E-02 ppm1 1.531 ppm2 8.661 CV 1
ASSI { 641}
(( segid A and resid 330 and name HN ))
(( segid A and resid 330 and name HB2 ))
2.600 0.800 0.800 peak 641 spectrum 1 weight 0.10000E+01 volume 0.31855E-02 ppm1 7.216 ppm2 1.565 CV 1
ASSI { 643}
(( segid A and resid 327 and name HB3 ))
(( segid A and resid 327 and name HN ))
2.400 0.800 0.800 peak 643 spectrum 1 weight 0.11000E+01 volume 0.56951E-02 ppm1 2.365 ppm2 8.535 CV 1
ASSI { 644}
(( segid A and resid 327 and name HB3 ))
( segid A and resid 315 and name HE% )
3.700 1.000 1.000 peak 644 spectrum 1 weight 0.11000E+01 volume 0.22271E-02 ppm1 2.364 ppm2 7.250 CV 1
ASSI { 645}
( segid A and resid 315 and name HD% )
(( segid A and resid 327 and name HB3 ))
4.500 1.200 1.200 peak 645 spectrum 1 weight 0.10000E+01 volume 0.59086E-03 ppm1 7.069 ppm2 2.367 CV 1
ASSI { 646}
( segid A and resid 315 and name HD% )
(( segid A and resid 327 and name HB2 ))
4.100 1.100 1.100 peak 646 spectrum 1 weight 0.10000E+01 volume 0.47162E-03 ppm1 7.080 ppm2 2.661 CV 1
ASSI { 647}
(( segid A and resid 327 and name HB2 ))
( segid A and resid 315 and name HE% )
3.000 0.900 0.900 peak 647 spectrum 1 weight 0.11000E+01 volume 0.13035E-02 ppm1 2.664 ppm2 7.239 CV 1
ASSI { 648}
(( segid A and resid 327 and name HB2 ))
(( segid A and resid 327 and name HN ))
2.600 0.800 0.800 peak 648 spectrum 1 weight 0.11000E+01 volume 0.44731E-02 ppm1 2.661 ppm2 8.536 CV 1
ASSI { 652}
(( segid A and resid 315 and name HN ))
(( segid A and resid 315 and name HB3 ))
3.600 1.000 1.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.22359E-02 ppm1 9.078 ppm2 3.156 CV 1
ASSI { 653}
(( segid A and resid 316 and name HN ))
(( segid A and resid 315 and name HB2 ))
3.900 1.100 1.100 peak 653 spectrum 1 weight 0.10000E+01 volume 0.13536E-02 ppm1 9.457 ppm2 3.311 CV 1
ASSI { 654}
(( segid A and resid 315 and name HN ))
(( segid A and resid 315 and name HB2 ))
2.800 0.900 0.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.18276E-02 ppm1 9.084 ppm2 3.314 CV 1
ASSI { 655}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 315 and name HB2 ))
3.400 1.000 1.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.30739E-02 ppm1 7.395 ppm2 3.313 CV 1
ASSI { 659}
(( segid A and resid 303 and name HZ3 ))
(( segid A and resid 315 and name HB3 ))
3.200 0.900 0.900 peak 659 spectrum 1 weight 0.10000E+01 volume 0.19968E-02 ppm1 6.707 ppm2 3.157 CV 1
ASSI { 665}
(( segid A and resid 315 and name HB3 ))
(( segid A and resid 315 and name HB2 ))
1.800 0.700 0.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.12851E-01 ppm1 3.158 ppm2 3.316 CV 1
ASSI { 668}
(( segid A and resid 328 and name HD3 ))
(( segid A and resid 315 and name HB2 ))
3.200 0.900 0.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.12780E-02 ppm1 2.589 ppm2 3.316 CV 1
ASSI { 672}
(( segid A and resid 328 and name HG2 ))
(( segid A and resid 315 and name HB2 ))
4.800 1.300 1.200 peak 672 spectrum 1 weight 0.10000E+01 volume 0.56987E-03 ppm1 0.210 ppm2 3.304 CV 1
ASSI { 673}
(( segid A and resid 327 and name HB3 ))
(( segid A and resid 327 and name HB2 ))
1.800 0.700 0.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.15249E-01 ppm1 2.364 ppm2 2.660 CV 1
ASSI { 674}
(( segid A and resid 328 and name HD2 ))
(( segid A and resid 327 and name HB3 ))
2.800 2.800 3.200 peak 674 spectrum 1 weight 0.10000E+01 volume 0.57043E-02 ppm1 2.792 ppm2 2.366 CV 1
ASSI { 676}
(( segid A and resid 327 and name HB2 ))
( segid A and resid 330 and name HD1%)
3.600 1.000 1.000 peak 676 spectrum 1 weight 0.11000E+01 volume 0.21029E-02 ppm1 2.660 ppm2 0.900 CV 1
ASSI { 677}
(( segid A and resid 330 and name HG ))
(( segid A and resid 327 and name HB2 ))
4.000 1.100 1.100 peak 677 spectrum 1 weight 0.10000E+01 volume 0.15630E-02 ppm1 1.368 ppm2 2.661 CV 1
ASSI { 678}
(( segid A and resid 327 and name HB2 ))
(( segid A and resid 330 and name HB2 ))
4.600 1.200 1.200 peak 678 spectrum 1 weight 0.11000E+01 volume 0.63999E-03 ppm1 2.660 ppm2 1.557 CV 1
ASSI { 679}
(( segid A and resid 327 and name HB3 ))
(( segid A and resid 330 and name HB2 ))
3.500 1.000 1.000 peak 679 spectrum 1 weight 0.11000E+01 volume 0.65297E-03 ppm1 2.362 ppm2 1.578 CV 1
ASSI { 680}
(( segid A and resid 330 and name HG ))
(( segid A and resid 327 and name HB3 ))
2.800 0.900 0.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.14567E-02 ppm1 1.365 ppm2 2.365 CV 1
ASSI { 681}
(( segid A and resid 327 and name HB3 ))
( segid A and resid 330 and name HD1%)
3.200 0.900 0.900 peak 681 spectrum 1 weight 0.11000E+01 volume 0.17863E-02 ppm1 2.365 ppm2 0.895 CV 1
ASSI { 682}
( segid A and resid 330 and name HD2%)
(( segid A and resid 327 and name HB3 ))
4.200 1.100 1.100 peak 682 spectrum 1 weight 0.10000E+01 volume 0.66277E-03 ppm1 0.760 ppm2 2.373 CV 1
ASSI { 685}
(( segid A and resid 308 and name HB ))
( segid A and resid 309 and name HB% )
3.400 1.000 1.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.10842E-02 ppm1 4.927 ppm2 1.581 CV 1
ASSI { 686}
(( segid A and resid 309 and name HA ))
( segid A and resid 309 and name HB% )
2.100 0.700 0.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.18030E-01 ppm1 4.288 ppm2 1.581 CV 1
ASSI { 687}
(( segid A and resid 310 and name HA ))
( segid A and resid 309 and name HB% )
3.600 1.000 1.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.95997E-03 ppm1 4.451 ppm2 1.581 CV 1
ASSI { 688}
(( segid A and resid 332 and name HA ))
( segid A and resid 332 and name HB% )
3.100 0.900 0.900 peak 688 spectrum 1 weight 0.10000E+01 volume 0.19258E-02 ppm1 4.344 ppm2 1.355 CV 1
ASSI { 689}
(( segid A and resid 308 and name HN ))
(( segid A and resid 307 and name HB3 ))
2.800 0.900 0.900 peak 689 spectrum 1 weight 0.10000E+01 volume 0.34411E-02 ppm1 9.581 ppm2 2.467 CV 1
OR { 689}
(( segid A and resid 308 and name HN ))
(( segid A and resid 307 and name HB2 ))
ASSI { 690}
(( segid A and resid 314 and name HN ))
(( segid A and resid 307 and name HB3 ))
4.500 1.200 1.200 peak 690 spectrum 1 weight 0.10000E+01 volume 0.55153E-03 ppm1 8.894 ppm2 2.469 CV 1
ASSI { 691}
(( segid A and resid 307 and name HN ))
(( segid A and resid 307 and name HB2 ))
2.700 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.38741E-02 ppm1 8.186 ppm2 2.474 CV 1
OR { 691}
(( segid A and resid 307 and name HN ))
(( segid A and resid 307 and name HB3 ))
ASSI { 692}
(( segid A and resid 311 and name HN ))
(( segid A and resid 307 and name HB3 ))
3.700 1.000 1.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.62361E-03 ppm1 8.033 ppm2 2.472 CV 1
OR { 692}
(( segid A and resid 311 and name HN ))
(( segid A and resid 307 and name HB2 ))
ASSI { 693}
(( segid A and resid 307 and name HD21))
(( segid A and resid 307 and name HB3 ))
2.700 0.800 0.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.25400E-02 ppm1 7.050 ppm2 2.473 CV 1
OR { 693}
(( segid A and resid 307 and name HD21))
(( segid A and resid 307 and name HB2 ))
ASSI { 694}
(( segid A and resid 307 and name HD22))
(( segid A and resid 307 and name HB3 ))
4.100 1.100 1.100 peak 694 spectrum 1 weight 0.10000E+01 volume 0.14837E-02 ppm1 6.776 ppm2 2.474 CV 1
OR { 694}
(( segid A and resid 307 and name HD22))
(( segid A and resid 307 and name HB2 ))
ASSI { 697}
(( segid A and resid 311 and name HA2 ))
(( segid A and resid 307 and name HB3 ))
3.900 1.100 1.100 peak 697 spectrum 1 weight 0.10000E+01 volume 0.15868E-02 ppm1 4.366 ppm2 2.471 CV 1
OR { 697}
(( segid A and resid 311 and name HA2 ))
(( segid A and resid 307 and name HB2 ))
ASSI { 701}
( segid A and resid 308 and name HG2%)
(( segid A and resid 307 and name HB3 ))
3.900 1.100 1.100 peak 701 spectrum 1 weight 0.10000E+01 volume 0.10840E-02 ppm1 1.456 ppm2 2.474 CV 1
OR { 701}
( segid A and resid 308 and name HG2%)
(( segid A and resid 307 and name HB2 ))
ASSI { 702}
( segid A and resid 309 and name HB% )
(( segid A and resid 307 and name HB2 ))
3.900 1.100 1.100 peak 702 spectrum 1 weight 0.10000E+01 volume 0.75759E-03 ppm1 1.562 ppm2 2.473 CV 1
OR { 702}
( segid A and resid 309 and name HB% )
(( segid A and resid 307 and name HB3 ))
ASSI { 703}
(( segid A and resid 329 and name HE ))
(( segid A and resid 329 and name HD2 ))
3.600 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.64978E-03 ppm1 8.812 ppm2 2.734 CV 1
ASSI { 704}
(( segid A and resid 329 and name HE ))
(( segid A and resid 329 and name HD3 ))
3.300 1.000 1.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.99785E-03 ppm1 8.825 ppm2 2.812 CV 1
ASSI { 705}
(( segid A and resid 329 and name HN ))
(( segid A and resid 329 and name HD3 ))
4.400 1.200 1.200 peak 705 spectrum 1 weight 0.10000E+01 volume 0.76545E-03 ppm1 8.532 ppm2 2.816 CV 1
ASSI { 706}
(( segid A and resid 329 and name HD2 ))
(( segid A and resid 299 and name HA ))
2.900 0.900 0.900 peak 706 spectrum 1 weight 0.11000E+01 volume 0.15083E-02 ppm1 2.749 ppm2 4.180 CV 1
ASSI { 707}
(( segid A and resid 329 and name HD3 ))
(( segid A and resid 299 and name HA ))
3.400 1.000 1.000 peak 707 spectrum 1 weight 0.11000E+01 volume 0.16686E-02 ppm1 2.812 ppm2 4.168 CV 1
ASSI { 708}
(( segid A and resid 329 and name HA ))
(( segid A and resid 329 and name HD3 ))
4.400 1.200 1.200 peak 708 spectrum 1 weight 0.10000E+01 volume 0.74997E-03 ppm1 3.910 ppm2 2.804 CV 1
ASSI { 709}
(( segid A and resid 329 and name HA ))
(( segid A and resid 329 and name HD2 ))
4.300 1.200 1.200 peak 709 spectrum 1 weight 0.10000E+01 volume 0.77664E-03 ppm1 3.943 ppm2 2.756 CV 1
ASSI { 711}
(( segid A and resid 329 and name HD3 ))
( segid A and resid 299 and name HD2%)
3.000 0.900 0.900 peak 711 spectrum 1 weight 0.11000E+01 volume 0.19676E-02 ppm1 2.811 ppm2 0.863 CV 1
ASSI { 712}
(( segid A and resid 329 and name HD2 ))
( segid A and resid 299 and name HD2%)
3.100 0.900 0.900 peak 712 spectrum 1 weight 0.11000E+01 volume 0.16383E-02 ppm1 2.741 ppm2 0.856 CV 1
ASSI { 713}
(( segid A and resid 329 and name HG2 ))
(( segid A and resid 329 and name HD3 ))
2.900 0.900 0.900 peak 713 spectrum 1 weight 0.10000E+01 volume 0.27435E-02 ppm1 1.171 ppm2 2.808 CV 1
ASSI { 714}
(( segid A and resid 329 and name HG2 ))
(( segid A and resid 329 and name HD2 ))
2.700 0.800 0.800 peak 714 spectrum 1 weight 0.10000E+01 volume 0.23515E-02 ppm1 1.170 ppm2 2.743 CV 1
ASSI { 715}
(( segid A and resid 329 and name HB3 ))
(( segid A and resid 329 and name HD3 ))
3.300 1.000 1.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.18938E-02 ppm1 1.533 ppm2 2.812 CV 1
ASSI { 716}
(( segid A and resid 329 and name HB3 ))
(( segid A and resid 329 and name HD2 ))
3.400 1.000 1.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.17582E-02 ppm1 1.537 ppm2 2.748 CV 1
ASSI { 717}
(( segid A and resid 329 and name HG3 ))
(( segid A and resid 329 and name HD3 ))
2.500 0.800 0.800 peak 717 spectrum 1 weight 0.10000E+01 volume 0.36908E-02 ppm1 1.773 ppm2 2.810 CV 1
ASSI { 718}
(( segid A and resid 329 and name HG3 ))
(( segid A and resid 329 and name HD2 ))
2.600 0.800 0.800 peak 718 spectrum 1 weight 0.10000E+01 volume 0.34899E-02 ppm1 1.773 ppm2 2.751 CV 1
ASSI { 719}
(( segid A and resid 329 and name HB2 ))
(( segid A and resid 329 and name HD3 ))
2.900 0.900 0.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.18174E-02 ppm1 1.901 ppm2 2.807 CV 1
ASSI { 720}
(( segid A and resid 329 and name HB2 ))
(( segid A and resid 329 and name HD2 ))
3.400 1.000 1.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.16697E-02 ppm1 1.891 ppm2 2.744 CV 1
ASSI { 721}
(( segid A and resid 321 and name HB3 ))
(( segid A and resid 321 and name HD2 ))
3.000 3.000 3.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.34361E-02 ppm1 0.756 ppm2 2.999 CV 1
OR { 721}
(( segid A and resid 321 and name HB3 ))
(( segid A and resid 321 and name HD3 ))
ASSI { 722}
(( segid A and resid 321 and name HG3 ))
(( segid A and resid 321 and name HD3 ))
2.500 0.800 0.800 peak 722 spectrum 1 weight 0.10000E+01 volume 0.54465E-02 ppm1 0.897 ppm2 2.999 CV 1
OR { 722}
(( segid A and resid 321 and name HG3 ))
(( segid A and resid 321 and name HD2 ))
ASSI { 723}
(( segid A and resid 321 and name HG2 ))
(( segid A and resid 321 and name HD2 ))
2.600 0.800 0.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.58524E-02 ppm1 1.102 ppm2 2.996 CV 1
OR { 723}
(( segid A and resid 321 and name HG2 ))
(( segid A and resid 321 and name HD3 ))
ASSI { 724}
(( segid A and resid 321 and name HB2 ))
(( segid A and resid 321 and name HD2 ))
2.500 0.800 0.800 peak 724 spectrum 1 weight 0.10000E+01 volume 0.66526E-02 ppm1 1.756 ppm2 2.986 CV 1
OR { 724}
(( segid A and resid 321 and name HB2 ))
(( segid A and resid 321 and name HD3 ))
ASSI { 725}
(( segid A and resid 321 and name HA ))
(( segid A and resid 321 and name HD2 ))
3.800 1.100 1.100 peak 725 spectrum 1 weight 0.10000E+01 volume 0.88755E-03 ppm1 2.290 ppm2 3.002 CV 1
OR { 725}
(( segid A and resid 321 and name HA ))
(( segid A and resid 321 and name HD3 ))
ASSI { 727}
( segid A and resid 314 and name HE% )
(( segid A and resid 306 and name HD3 ))
3.900 1.100 1.100 peak 727 spectrum 1 weight 0.10000E+01 volume 0.75051E-03 ppm1 6.315 ppm2 3.084 CV 1
ASSI { 730}
(( segid A and resid 306 and name HD2 ))
(( segid A and resid 306 and name HD3 ))
1.900 0.700 0.700 peak 730 spectrum 1 weight 0.10000E+01 volume 0.10071E-01 ppm1 2.704 ppm2 3.092 CV 1
ASSI { 732}
(( segid A and resid 312 and name HD2 ))
(( segid A and resid 312 and name HB2 ))
2.900 0.900 0.900 peak 732 spectrum 1 weight 0.11000E+01 volume 0.18542E-02 ppm1 2.960 ppm2 1.981 CV 1
ASSI { 733}
(( segid A and resid 312 and name HD3 ))
(( segid A and resid 312 and name HD2 ))
1.700 0.600 0.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.22955E-01 ppm1 2.776 ppm2 2.962 CV 1
ASSI { 735}
( segid A and resid 325 and name HE% )
(( segid A and resid 312 and name HD2 ))
3.400 1.000 1.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.11223E-02 ppm1 7.174 ppm2 2.960 CV 1
ASSI { 736}
(( segid A and resid 321 and name HN ))
(( segid A and resid 321 and name HD3 ))
3.600 1.000 1.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.90335E-03 ppm1 7.535 ppm2 2.992 CV 1
OR { 736}
(( segid A and resid 321 and name HN ))
(( segid A and resid 321 and name HD2 ))
ASSI { 737}
( segid A and resid 325 and name HE% )
(( segid A and resid 312 and name HD3 ))
2.700 0.800 0.800 peak 737 spectrum 1 weight 0.10000E+01 volume 0.12200E-02 ppm1 7.178 ppm2 2.781 CV 1
ASSI { 738}
( segid A and resid 314 and name HE% )
(( segid A and resid 306 and name HD2 ))
3.800 1.100 1.100 peak 738 spectrum 1 weight 0.10000E+01 volume 0.80817E-03 ppm1 6.310 ppm2 2.698 CV 1
ASSI { 739}
(( segid A and resid 306 and name HB3 ))
(( segid A and resid 306 and name HD2 ))
3.200 0.900 0.900 peak 739 spectrum 1 weight 0.10000E+01 volume 0.18016E-02 ppm1 0.144 ppm2 2.707 CV 1
ASSI { 740}
( segid A and resid 316 and name HG2%)
(( segid A and resid 306 and name HD2 ))
2.600 0.800 0.800 peak 740 spectrum 1 weight 0.10000E+01 volume 0.28625E-02 ppm1 0.577 ppm2 2.707 CV 1
ASSI { 741}
(( segid A and resid 306 and name HG3 ))
(( segid A and resid 306 and name HD2 ))
2.800 0.900 0.900 peak 741 spectrum 1 weight 0.10000E+01 volume 0.19854E-02 ppm1 1.044 ppm2 2.703 CV 1
ASSI { 742}
(( segid A and resid 306 and name HG2 ))
(( segid A and resid 306 and name HD2 ))
3.400 1.000 1.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.12544E-02 ppm1 1.624 ppm2 2.703 CV 1
ASSI { 745}
(( segid A and resid 298 and name HA ))
(( segid A and resid 329 and name HD2 ))
3.600 1.000 1.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.69765E-03 ppm1 4.429 ppm2 2.749 CV 1
ASSI { 748}
(( segid A and resid 306 and name HG3 ))
(( segid A and resid 306 and name HD3 ))
3.100 0.900 0.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.23754E-02 ppm1 1.045 ppm2 3.094 CV 1
ASSI { 749}
(( segid A and resid 306 and name HB2 ))
(( segid A and resid 306 and name HD3 ))
3.100 0.900 0.900 peak 749 spectrum 1 weight 0.10000E+01 volume 0.26797E-02 ppm1 1.505 ppm2 3.093 CV 1
ASSI { 750}
(( segid A and resid 306 and name HG2 ))
(( segid A and resid 306 and name HD3 ))
2.700 0.800 0.800 peak 750 spectrum 1 weight 0.10000E+01 volume 0.21581E-02 ppm1 1.603 ppm2 3.090 CV 1
ASSI { 751}
(( segid A and resid 312 and name HG3 ))
(( segid A and resid 312 and name HD3 ))
2.600 0.800 0.800 peak 751 spectrum 1 weight 0.10000E+01 volume 0.49677E-02 ppm1 1.740 ppm2 2.781 CV 1
OR { 751}
(( segid A and resid 312 and name HB3 ))
(( segid A and resid 312 and name HD3 ))
ASSI { 752}
(( segid A and resid 312 and name HB2 ))
(( segid A and resid 312 and name HD3 ))
3.300 1.000 1.000 peak 752 spectrum 1 weight 0.10000E+01 volume 0.20474E-02 ppm1 1.978 ppm2 2.776 CV 1
ASSI { 754}
(( segid A and resid 296 and name HA ))
(( segid A and resid 297 and name HA1 ))
3.800 1.100 1.100 peak 754 spectrum 1 weight 0.10000E+01 volume 0.84680E-03 ppm1 4.595 ppm2 4.257 CV 1
ASSI { 755}
(( segid A and resid 297 and name HA2 ))
(( segid A and resid 297 and name HA1 ))
1.700 0.600 0.600 peak 755 spectrum 1 weight 0.10000E+01 volume 0.27759E-01 ppm1 4.005 ppm2 4.243 CV 1
ASSI { 756}
(( segid A and resid 298 and name HD3 ))
(( segid A and resid 297 and name HA1 ))
2.400 0.800 0.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.10191E-01 ppm1 3.608 ppm2 4.243 CV 1
OR { 756}
(( segid A and resid 298 and name HD2 ))
(( segid A and resid 297 and name HA1 ))
ASSI { 757}
(( segid A and resid 298 and name HG3 ))
(( segid A and resid 297 and name HA1 ))
4.300 1.200 1.200 peak 757 spectrum 1 weight 0.10000E+01 volume 0.14104E-02 ppm1 2.006 ppm2 4.248 CV 1
OR { 757}
(( segid A and resid 298 and name HG2 ))
(( segid A and resid 297 and name HA1 ))
ASSI { 759}
(( segid A and resid 295 and name HA2 ))
(( segid A and resid 295 and name HA1 ))
1.700 0.600 0.600 peak 759 spectrum 1 weight 0.11000E+01 volume 0.31462E-01 ppm1 3.650 ppm2 4.023 CV 1
ASSI { 760}
(( segid A and resid 329 and name HD3 ))
(( segid A and resid 295 and name HA2 ))
3.900 1.100 1.100 peak 760 spectrum 1 weight 0.10000E+01 volume 0.50722E-03 ppm1 2.792 ppm2 3.660 CV 1
OR { 760}
(( segid A and resid 329 and name HD2 ))
(( segid A and resid 295 and name HA2 ))
ASSI { 761}
(( segid A and resid 329 and name HB2 ))
(( segid A and resid 295 and name HA2 ))
3.700 1.000 1.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.68733E-03 ppm1 1.927 ppm2 3.645 CV 1
ASSI { 762}
(( segid A and resid 295 and name HA2 ))
(( segid A and resid 329 and name HB3 ))
4.000 1.100 1.100 peak 762 spectrum 1 weight 0.11000E+01 volume 0.10483E-02 ppm1 3.652 ppm2 1.542 CV 1
ASSI { 763}
(( segid A and resid 330 and name HG ))
(( segid A and resid 295 and name HA2 ))
3.800 1.100 1.100 peak 763 spectrum 1 weight 0.10000E+01 volume 0.52306E-03 ppm1 1.363 ppm2 3.657 CV 1
ASSI { 764}
(( segid A and resid 295 and name HA2 ))
( segid A and resid 330 and name HD1%)
3.900 1.100 1.100 peak 764 spectrum 1 weight 0.11000E+01 volume 0.65013E-03 ppm1 3.665 ppm2 0.895 CV 1
ASSI { 765}
(( segid A and resid 295 and name HA2 ))
( segid A and resid 330 and name HD2%)
3.300 1.000 1.000 peak 765 spectrum 1 weight 0.11000E+01 volume 0.19069E-02 ppm1 3.650 ppm2 0.768 CV 1
ASSI { 766}
(( segid A and resid 295 and name HA1 ))
( segid A and resid 330 and name HD2%)
3.000 0.900 0.900 peak 766 spectrum 1 weight 0.11000E+01 volume 0.22229E-02 ppm1 4.022 ppm2 0.770 CV 1
ASSI { 767}
(( segid A and resid 295 and name HA1 ))
( segid A and resid 330 and name HD1%)
3.900 1.100 1.100 peak 767 spectrum 1 weight 0.11000E+01 volume 0.67113E-03 ppm1 4.014 ppm2 0.894 CV 1
ASSI { 768}
(( segid A and resid 295 and name HA1 ))
(( segid A and resid 329 and name HB3 ))
3.700 1.000 1.000 peak 768 spectrum 1 weight 0.11000E+01 volume 0.85693E-03 ppm1 4.021 ppm2 1.535 CV 1
ASSI { 769}
(( segid A and resid 330 and name HG ))
(( segid A and resid 295 and name HA1 ))
3.800 1.100 1.100 peak 769 spectrum 1 weight 0.10000E+01 volume 0.44422E-03 ppm1 1.373 ppm2 4.024 CV 1
ASSI { 770}
(( segid A and resid 298 and name HG2 ))
(( segid A and resid 297 and name HA2 ))
4.200 1.100 1.100 peak 770 spectrum 1 weight 0.10000E+01 volume 0.13741E-02 ppm1 2.001 ppm2 4.012 CV 1
OR { 770}
(( segid A and resid 298 and name HG3 ))
(( segid A and resid 297 and name HA2 ))
ASSI { 771}
(( segid A and resid 295 and name HA1 ))
(( segid A and resid 329 and name HD2 ))
4.100 4.100 1.900 peak 771 spectrum 1 weight 0.11000E+01 volume 0.68573E-03 ppm1 4.024 ppm2 2.755 CV 1
ASSI { 774}
(( segid A and resid 295 and name HA2 ))
(( segid A and resid 295 and name HN ))
3.900 1.100 1.100 peak 774 spectrum 1 weight 0.11000E+01 volume 0.50419E-03 ppm1 3.647 ppm2 8.778 CV 1
ASSI { 775}
(( segid A and resid 295 and name HA1 ))
(( segid A and resid 295 and name HN ))
3.900 3.900 2.100 peak 775 spectrum 1 weight 0.11000E+01 volume 0.50330E-03 ppm1 4.002 ppm2 8.771 CV 1
ASSI { 777}
( segid A and resid 310 and name HG2%)
(( segid A and resid 310 and name HB ))
2.200 0.700 0.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.13438E-01 ppm1 1.235 ppm2 4.580 CV 1
ASSI { 778}
(( segid A and resid 326 and name HB ))
(( segid A and resid 327 and name HN ))
3.000 0.900 0.900 peak 778 spectrum 1 weight 0.11000E+01 volume 0.29235E-02 ppm1 3.979 ppm2 8.536 CV 1
ASSI { 779}
(( segid A and resid 324 and name HE21))
(( segid A and resid 326 and name HB ))
2.800 0.900 0.900 peak 779 spectrum 1 weight 0.10000E+01 volume 0.30159E-02 ppm1 8.046 ppm2 3.979 CV 1
ASSI { 780}
(( segid A and resid 326 and name HN ))
(( segid A and resid 326 and name HB ))
2.900 0.900 0.900 peak 780 spectrum 1 weight 0.10000E+01 volume 0.27970E-02 ppm1 7.450 ppm2 3.976 CV 1
ASSI { 781}
(( segid A and resid 324 and name HE22))
(( segid A and resid 326 and name HB ))
2.900 0.900 0.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.24366E-02 ppm1 7.252 ppm2 3.979 CV 1
ASSI { 783}
( segid A and resid 326 and name HG2%)
(( segid A and resid 326 and name HB ))
2.400 0.800 0.800 peak 783 spectrum 1 weight 0.10000E+01 volume 0.78715E-02 ppm1 1.168 ppm2 3.979 CV 1
ASSI { 784}
(( segid A and resid 324 and name HB3 ))
(( segid A and resid 326 and name HB ))
4.400 1.200 1.200 peak 784 spectrum 1 weight 0.10000E+01 volume 0.73164E-03 ppm1 2.243 ppm2 3.977 CV 1
ASSI { 785}
(( segid A and resid 324 and name HG3 ))
(( segid A and resid 326 and name HB ))
4.200 1.100 1.100 peak 785 spectrum 1 weight 0.10000E+01 volume 0.61009E-03 ppm1 2.527 ppm2 3.987 CV 1
ASSI { 786}
(( segid A and resid 324 and name HB2 ))
(( segid A and resid 326 and name HB ))
3.500 1.000 1.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.68074E-03 ppm1 2.665 ppm2 3.989 CV 1
ASSI { 787}
(( segid A and resid 328 and name HD2 ))
(( segid A and resid 326 and name HB ))
3.100 3.100 2.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.85353E-03 ppm1 2.806 ppm2 3.976 CV 1
ASSI { 788}
(( segid A and resid 311 and name HN ))
(( segid A and resid 311 and name HA1 ))
2.600 0.800 0.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.42686E-02 ppm1 8.032 ppm2 3.652 CV 1
ASSI { 790}
(( segid A and resid 312 and name HN ))
(( segid A and resid 311 and name HA2 ))
3.600 1.000 1.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.71776E-03 ppm1 7.513 ppm2 4.346 CV 1
ASSI { 791}
(( segid A and resid 311 and name HN ))
(( segid A and resid 311 and name HA2 ))
3.000 0.900 0.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.33926E-02 ppm1 8.028 ppm2 4.360 CV 1
ASSI { 792}
(( segid A and resid 311 and name HA2 ))
(( segid A and resid 311 and name HA1 ))
1.700 0.600 0.600 peak 792 spectrum 1 weight 0.10000E+01 volume 0.31370E-01 ppm1 4.358 ppm2 3.654 CV 1
ASSI { 795}
(( segid A and resid 307 and name HB3 ))
(( segid A and resid 311 and name HA1 ))
2.700 0.800 0.800 peak 795 spectrum 1 weight 0.10000E+01 volume 0.31989E-02 ppm1 2.479 ppm2 3.650 CV 1
OR { 795}
(( segid A and resid 307 and name HB2 ))
(( segid A and resid 311 and name HA1 ))
ASSI { 797}
(( segid A and resid 318 and name HB3 ))
(( segid A and resid 302 and name HA2 ))
4.500 1.200 1.200 peak 797 spectrum 1 weight 0.10000E+01 volume 0.97419E-03 ppm1 3.261 ppm2 4.285 CV 1
ASSI { 799}
(( segid A and resid 318 and name HB3 ))
(( segid A and resid 302 and name HA1 ))
4.100 1.100 1.100 peak 799 spectrum 1 weight 0.10000E+01 volume 0.12392E-02 ppm1 3.259 ppm2 3.866 CV 1
ASSI { 800}
(( segid A and resid 302 and name HA1 ))
(( segid A and resid 302 and name HA2 ))
1.700 0.600 0.600 peak 800 spectrum 1 weight 0.10000E+01 volume 0.25838E-01 ppm1 3.868 ppm2 4.285 CV 1
ASSI { 802}
(( segid A and resid 301 and name HA ))
(( segid A and resid 302 and name HA2 ))
4.100 1.100 1.100 peak 802 spectrum 1 weight 0.10000E+01 volume 0.72879E-03 ppm1 4.473 ppm2 4.289 CV 1
ASSI { 803}
(( segid A and resid 301 and name HA ))
(( segid A and resid 302 and name HA1 ))
3.800 1.100 1.100 peak 803 spectrum 1 weight 0.10000E+01 volume 0.73093E-03 ppm1 4.502 ppm2 3.861 CV 1
ASSI { 804}
(( segid A and resid 318 and name HD2 ))
(( segid A and resid 302 and name HA2 ))
4.200 1.100 1.100 peak 804 spectrum 1 weight 0.10000E+01 volume 0.51559E-03 ppm1 6.888 ppm2 4.273 CV 1
ASSI { 807}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 302 and name HA1 ))
4.600 1.200 1.200 peak 807 spectrum 1 weight 0.10000E+01 volume 0.54816E-03 ppm1 7.110 ppm2 3.874 CV 1
ASSI { 808}
(( segid A and resid 319 and name HD22))
(( segid A and resid 302 and name HA1 ))
4.200 1.100 1.100 peak 808 spectrum 1 weight 0.10000E+01 volume 0.21387E-02 ppm1 7.546 ppm2 3.865 CV 1
ASSI { 809}
(( segid A and resid 303 and name HN ))
(( segid A and resid 302 and name HA1 ))
3.400 1.000 1.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.15893E-02 ppm1 7.684 ppm2 3.868 CV 1
ASSI { 811}
(( segid A and resid 302 and name HA1 ))
(( segid A and resid 318 and name HN ))
4.000 1.100 1.100 peak 811 spectrum 1 weight 0.11000E+01 volume 0.60172E-03 ppm1 3.862 ppm2 8.793 CV 1
ASSI { 812}
(( segid A and resid 302 and name HN ))
(( segid A and resid 302 and name HA1 ))
3.400 1.000 1.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.91015E-03 ppm1 9.014 ppm2 3.866 CV 1
ASSI { 813}
(( segid A and resid 302 and name HN ))
(( segid A and resid 302 and name HA2 ))
3.300 1.000 1.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.92134E-03 ppm1 9.013 ppm2 4.285 CV 1
ASSI { 815}
(( segid A and resid 319 and name HD22))
(( segid A and resid 302 and name HA2 ))
2.500 0.800 0.800 peak 815 spectrum 1 weight 0.10000E+01 volume 0.25856E-02 ppm1 7.547 ppm2 4.281 CV 1
ASSI { 816}
(( segid A and resid 302 and name HA2 ))
(( segid A and resid 303 and name HN ))
3.200 0.900 0.900 peak 816 spectrum 1 weight 0.11000E+01 volume 0.14773E-02 ppm1 4.285 ppm2 7.682 CV 1
ASSI { 817}
(( segid A and resid 319 and name HD21))
(( segid A and resid 302 and name HA2 ))
4.100 1.100 1.100 peak 817 spectrum 1 weight 0.10000E+01 volume 0.15980E-02 ppm1 7.818 ppm2 4.283 CV 1
ASSI { 818}
(( segid A and resid 324 and name HN ))
(( segid A and resid 323 and name HB ))
2.400 0.800 0.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.47575E-02 ppm1 9.138 ppm2 4.184 CV 1
ASSI { 819}
(( segid A and resid 323 and name HN ))
(( segid A and resid 322 and name HB ))
2.600 0.800 0.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.83417E-02 ppm1 8.078 ppm2 4.162 CV 1
ASSI { 820}
(( segid A and resid 322 and name HN ))
(( segid A and resid 322 and name HB ))
3.500 1.000 1.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.11089E-02 ppm1 7.419 ppm2 4.161 CV 1
ASSI { 821}
( segid A and resid 314 and name HD% )
(( segid A and resid 323 and name HB ))
2.200 0.700 0.700 peak 821 spectrum 1 weight 0.10000E+01 volume 0.71548E-02 ppm1 6.850 ppm2 4.183 CV 1
ASSI { 824}
(( segid A and resid 315 and name HA ))
(( segid A and resid 323 and name HB ))
4.100 4.100 1.900 peak 824 spectrum 1 weight 0.10000E+01 volume 0.71652E-03 ppm1 5.133 ppm2 4.181 CV 1
ASSI { 825}
(( segid A and resid 322 and name HA ))
(( segid A and resid 322 and name HB ))
2.200 0.700 0.700 peak 825 spectrum 1 weight 0.10000E+01 volume 0.10883E-01 ppm1 4.809 ppm2 4.163 CV 1
ASSI { 827}
(( segid A and resid 314 and name HB2 ))
(( segid A and resid 323 and name HB ))
3.300 1.000 1.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.99021E-03 ppm1 2.621 ppm2 4.179 CV 1
ASSI { 829}
(( segid A and resid 323 and name HB ))
(( segid B and resid 209 and name HD3 ))
4.500 4.500 1.500 peak 829 spectrum 1 weight 0.11000E+01 volume 0.67593E-03 ppm1 4.182 ppm2 1.687 CV 1
ASSI { 830}
( segid A and resid 308 and name HG2%)
(( segid A and resid 323 and name HB ))
5.000 1.300 1.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.67541E-03 ppm1 1.458 ppm2 4.184 CV 1
ASSI { 832}
( segid A and resid 322 and name HG2%)
(( segid A and resid 322 and name HB ))
2.200 0.700 0.700 peak 832 spectrum 1 weight 0.10000E+01 volume 0.12276E-01 ppm1 0.961 ppm2 4.163 CV 1
ASSI { 833}
( segid A and resid 316 and name HG2%)
(( segid A and resid 323 and name HB ))
3.600 1.000 1.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 0.583 ppm2 4.182 CV 1
ASSI { 834}
( segid A and resid 316 and name HG1%)
(( segid A and resid 323 and name HB ))
4.500 1.200 1.200 peak 834 spectrum 1 weight 0.10000E+01 volume 0.52448E-03 ppm1 0.367 ppm2 4.180 CV 1
ASSI { 837}
(( segid A and resid 297 and name HA2 ))
(( segid A and resid 298 and name HD2 ))
2.000 0.700 0.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.17523E-01 ppm1 3.984 ppm2 3.602 CV 1
OR { 837}
(( segid A and resid 297 and name HA2 ))
(( segid A and resid 298 and name HD3 ))
ASSI { 841}
(( segid A and resid 328 and name HG2 ))
(( segid A and resid 300 and name HD2 ))
3.100 0.900 0.900 peak 841 spectrum 1 weight 0.10000E+01 volume 0.80567E-03 ppm1 0.206 ppm2 3.304 CV 1
ASSI { 842}
(( segid A and resid 328 and name HG3 ))
(( segid A and resid 300 and name HD2 ))
3.200 0.900 0.900 peak 842 spectrum 1 weight 0.10000E+01 volume 0.10319E-02 ppm1 0.543 ppm2 3.293 CV 1
ASSI { 844}
(( segid A and resid 300 and name HG2 ))
(( segid A and resid 300 and name HD2 ))
2.400 0.800 0.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.36646E-02 ppm1 1.254 ppm2 3.296 CV 1
ASSI { 845}
(( segid A and resid 299 and name HB3 ))
(( segid A and resid 300 and name HD2 ))
2.400 0.800 0.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.27698E-02 ppm1 1.531 ppm2 3.298 CV 1
ASSI { 846}
(( segid A and resid 300 and name HG3 ))
(( segid A and resid 300 and name HD2 ))
3.000 0.900 0.900 peak 846 spectrum 1 weight 0.10000E+01 volume 0.38376E-02 ppm1 1.663 ppm2 3.298 CV 1
ASSI { 848}
(( segid A and resid 300 and name HB2 ))
(( segid A and resid 300 and name HD2 ))
3.100 0.900 0.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.17119E-02 ppm1 1.900 ppm2 3.299 CV 1
ASSI { 849}
(( segid A and resid 300 and name HB3 ))
(( segid A and resid 300 and name HD2 ))
4.000 1.100 1.100 peak 849 spectrum 1 weight 0.10000E+01 volume 0.11486E-02 ppm1 2.451 ppm2 3.295 CV 1
ASSI { 850}
(( segid A and resid 300 and name HD3 ))
(( segid A and resid 300 and name HD2 ))
1.600 0.600 0.600 peak 850 spectrum 1 weight 0.10000E+01 volume 0.21739E-01 ppm1 2.773 ppm2 3.298 CV 1
ASSI { 852}
(( segid A and resid 299 and name HA ))
(( segid A and resid 300 and name HD2 ))
2.400 0.800 0.800 peak 852 spectrum 1 weight 0.10000E+01 volume 0.10240E-01 ppm1 4.169 ppm2 3.299 CV 1
ASSI { 853}
(( segid A and resid 300 and name HA ))
(( segid A and resid 300 and name HD2 ))
3.600 1.000 1.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.10746E-02 ppm1 4.773 ppm2 3.292 CV 1
ASSI { 854}
(( segid A and resid 300 and name HA ))
(( segid A and resid 300 and name HD3 ))
3.400 1.000 1.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.97298E-03 ppm1 4.784 ppm2 2.779 CV 1
ASSI { 855}
(( segid A and resid 299 and name HA ))
(( segid A and resid 300 and name HD3 ))
2.100 0.700 0.700 peak 855 spectrum 1 weight 0.10000E+01 volume 0.70012E-02 ppm1 4.168 ppm2 2.773 CV 1
ASSI { 859}
(( segid A and resid 328 and name HD3 ))
(( segid A and resid 328 and name HD2 ))
1.700 0.600 0.600 peak 859 spectrum 1 weight 0.10000E+01 volume 0.16844E-01 ppm1 2.618 ppm2 2.779 CV 1
ASSI { 860}
(( segid A and resid 300 and name HB3 ))
(( segid A and resid 300 and name HD3 ))
3.900 1.100 1.100 peak 860 spectrum 1 weight 0.10000E+01 volume 0.12237E-02 ppm1 2.447 ppm2 2.774 CV 1
ASSI { 863}
(( segid A and resid 300 and name HG3 ))
(( segid A and resid 300 and name HD3 ))
2.400 0.800 0.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.32629E-02 ppm1 1.660 ppm2 2.774 CV 1
ASSI { 864}
(( segid A and resid 299 and name HB3 ))
(( segid A and resid 300 and name HD3 ))
2.900 0.900 0.900 peak 864 spectrum 1 weight 0.10000E+01 volume 0.38031E-02 ppm1 1.535 ppm2 2.774 CV 1
ASSI { 865}
(( segid A and resid 300 and name HG2 ))
(( segid A and resid 300 and name HD3 ))
2.700 0.800 0.800 peak 865 spectrum 1 weight 0.10000E+01 volume 0.45182E-02 ppm1 1.259 ppm2 2.774 CV 1
ASSI { 866}
( segid A and resid 299 and name HD1%)
(( segid A and resid 300 and name HD3 ))
4.200 1.100 1.100 peak 866 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 1.100 ppm2 2.774 CV 1
ASSI { 868}
(( segid A and resid 328 and name HG3 ))
(( segid A and resid 328 and name HD2 ))
2.800 0.900 0.900 peak 868 spectrum 1 weight 0.10000E+01 volume 0.31074E-02 ppm1 0.542 ppm2 2.781 CV 1
ASSI { 870}
( segid A and resid 299 and name HD1%)
(( segid A and resid 300 and name HD2 ))
3.900 1.100 1.100 peak 870 spectrum 1 weight 0.10000E+01 volume 0.11116E-02 ppm1 1.101 ppm2 3.300 CV 1
ASSI { 872}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 300 and name HD2 ))
3.100 0.900 0.900 peak 872 spectrum 1 weight 0.10000E+01 volume 0.78466E-03 ppm1 7.107 ppm2 3.303 CV 1
ASSI { 874}
(( segid A and resid 328 and name HD2 ))
(( segid A and resid 324 and name HE21))
4.600 1.200 1.200 peak 874 spectrum 1 weight 0.11000E+01 volume 0.63055E-03 ppm1 2.776 ppm2 8.051 CV 1
ASSI { 876}
(( segid A and resid 328 and name HD2 ))
(( segid A and resid 324 and name HE22))
3.700 1.000 1.000 peak 876 spectrum 1 weight 0.11000E+01 volume 0.20937E-02 ppm1 2.784 ppm2 7.241 CV 1
ASSI { 878}
(( segid A and resid 300 and name HA ))
(( segid A and resid 301 and name HD2 ))
2.500 0.800 0.800 peak 878 spectrum 1 weight 0.10000E+01 volume 0.14333E-01 ppm1 4.756 ppm2 3.919 CV 1
ASSI { 879}
(( segid A and resid 301 and name HA ))
(( segid A and resid 301 and name HD2 ))
3.700 1.000 1.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.98152E-03 ppm1 4.497 ppm2 3.921 CV 1
ASSI { 881}
(( segid A and resid 300 and name HA ))
(( segid A and resid 301 and name HD3 ))
2.200 0.700 0.700 peak 881 spectrum 1 weight 0.10000E+01 volume 0.10047E-01 ppm1 4.757 ppm2 3.677 CV 1
ASSI { 882}
(( segid A and resid 301 and name HD2 ))
(( segid A and resid 301 and name HD3 ))
1.600 0.600 0.600 peak 882 spectrum 1 weight 0.10000E+01 volume 0.29293E-01 ppm1 3.919 ppm2 3.677 CV 1
ASSI { 884}
(( segid A and resid 300 and name HB3 ))
(( segid A and resid 301 and name HD2 ))
2.300 0.800 0.800 peak 884 spectrum 1 weight 0.10000E+01 volume 0.43877E-02 ppm1 2.444 ppm2 3.919 CV 1
ASSI { 885}
(( segid A and resid 301 and name HG3 ))
(( segid A and resid 301 and name HD2 ))
2.800 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.51731E-02 ppm1 2.203 ppm2 3.918 CV 1
ASSI { 886}
(( segid A and resid 301 and name HG2 ))
(( segid A and resid 301 and name HD2 ))
2.300 0.800 0.800 peak 886 spectrum 1 weight 0.10000E+01 volume 0.59254E-02 ppm1 2.092 ppm2 3.919 CV 1
ASSI { 887}
(( segid A and resid 300 and name HB2 ))
(( segid A and resid 301 and name HD2 ))
3.100 0.900 0.900 peak 887 spectrum 1 weight 0.10000E+01 volume 0.16398E-02 ppm1 1.913 ppm2 3.921 CV 1
ASSI { 889}
(( segid A and resid 300 and name HG3 ))
(( segid A and resid 301 and name HD3 ))
4.600 1.200 1.200 peak 889 spectrum 1 weight 0.10000E+01 volume 0.72719E-03 ppm1 1.654 ppm2 3.668 CV 1
ASSI { 890}
(( segid A and resid 300 and name HB2 ))
(( segid A and resid 301 and name HD3 ))
3.600 1.000 1.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.27410E-02 ppm1 1.902 ppm2 3.673 CV 1
ASSI { 891}
(( segid A and resid 301 and name HG2 ))
(( segid A and resid 301 and name HD3 ))
2.900 0.900 0.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.55426E-02 ppm1 2.087 ppm2 3.676 CV 1
OR { 891}
(( segid A and resid 301 and name HB2 ))
(( segid A and resid 301 and name HD3 ))
ASSI { 892}
(( segid A and resid 301 and name HG3 ))
(( segid A and resid 301 and name HD3 ))
2.300 0.800 0.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.60329E-02 ppm1 2.204 ppm2 3.677 CV 1
ASSI { 894}
(( segid A and resid 328 and name HG2 ))
(( segid A and resid 328 and name HD3 ))
3.100 0.900 0.900 peak 894 spectrum 1 weight 0.10000E+01 volume 0.26942E-02 ppm1 0.212 ppm2 2.609 CV 1
ASSI { 895}
(( segid A and resid 328 and name HG3 ))
(( segid A and resid 328 and name HD3 ))
2.700 0.800 0.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.21356E-02 ppm1 0.544 ppm2 2.609 CV 1
ASSI { 897}
( segid A and resid 326 and name HG2%)
(( segid A and resid 328 and name HD3 ))
4.000 1.100 1.100 peak 897 spectrum 1 weight 0.10000E+01 volume 0.55314E-03 ppm1 1.176 ppm2 2.599 CV 1
ASSI { 898}
(( segid A and resid 327 and name HB3 ))
(( segid A and resid 328 and name HD3 ))
4.500 1.200 1.200 peak 898 spectrum 1 weight 0.10000E+01 volume 0.74250E-03 ppm1 2.349 ppm2 2.618 CV 1
ASSI { 903}
(( segid A and resid 303 and name HZ3 ))
(( segid A and resid 328 and name HD3 ))
3.700 1.000 1.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.54868E-03 ppm1 6.718 ppm2 2.604 CV 1
ASSI { 904}
(( segid A and resid 328 and name HD3 ))
( segid A and resid 315 and name HD% )
3.400 1.000 1.000 peak 904 spectrum 1 weight 0.11000E+01 volume 0.13737E-02 ppm1 2.612 ppm2 7.065 CV 1
ASSI { 905}
(( segid A and resid 328 and name HD3 ))
(( segid A and resid 324 and name HE22))
3.000 0.900 0.900 peak 905 spectrum 1 weight 0.11000E+01 volume 0.11073E-02 ppm1 2.612 ppm2 7.250 CV 1
ASSI { 906}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 328 and name HD3 ))
3.600 1.000 1.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.64443E-03 ppm1 7.393 ppm2 2.611 CV 1
ASSI { 907}
(( segid A and resid 328 and name HD3 ))
(( segid A and resid 324 and name HE21))
3.500 1.000 1.000 peak 907 spectrum 1 weight 0.11000E+01 volume 0.77437E-03 ppm1 2.608 ppm2 8.048 CV 1
ASSI { 909}
(( segid A and resid 304 and name HN ))
(( segid A and resid 317 and name HA ))
3.800 1.100 1.100 peak 909 spectrum 1 weight 0.10000E+01 volume 0.11830E-02 ppm1 9.459 ppm2 3.578 CV 1
ASSI { 910}
(( segid A and resid 317 and name HA ))
(( segid A and resid 318 and name HN ))
2.200 0.700 0.700 peak 910 spectrum 1 weight 0.11000E+01 volume 0.91817E-02 ppm1 3.577 ppm2 8.784 CV 1
ASSI { 911}
(( segid A and resid 319 and name HN ))
(( segid A and resid 317 and name HA ))
3.500 1.000 1.000 peak 911 spectrum 1 weight 0.10000E+01 volume 0.15438E-02 ppm1 8.482 ppm2 3.578 CV 1
ASSI { 912}
(( segid A and resid 317 and name HA ))
(( segid A and resid 317 and name HN ))
2.900 0.900 0.900 peak 912 spectrum 1 weight 0.11000E+01 volume 0.23225E-02 ppm1 3.579 ppm2 8.280 CV 1
ASSI { 914}
(( segid A and resid 303 and name HH2 ))
(( segid A and resid 317 and name HA ))
4.000 1.100 1.100 peak 914 spectrum 1 weight 0.10000E+01 volume 0.56435E-03 ppm1 7.060 ppm2 3.580 CV 1
OR { 914}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 317 and name HA ))
ASSI { 920}
(( segid A and resid 317 and name HB2 ))
(( segid A and resid 317 and name HA ))
2.700 0.800 0.800 peak 920 spectrum 1 weight 0.10000E+01 volume 0.33998E-02 ppm1 2.245 ppm2 3.575 CV 1
ASSI { 921}
(( segid A and resid 317 and name HB3 ))
(( segid A and resid 317 and name HA ))
2.700 0.800 0.800 peak 921 spectrum 1 weight 0.10000E+01 volume 0.43683E-02 ppm1 0.091 ppm2 3.577 CV 1
ASSI { 922}
( segid A and resid 316 and name HG1%)
(( segid A and resid 317 and name HA ))
3.700 1.000 1.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.74339E-03 ppm1 0.353 ppm2 3.573 CV 1
ASSI { 924}
(( segid A and resid 329 and name HN ))
(( segid A and resid 299 and name HA ))
4.500 1.200 1.200 peak 924 spectrum 1 weight 0.10000E+01 volume 0.69089E-03 ppm1 8.531 ppm2 4.170 CV 1
ASSI { 925}
(( segid A and resid 299 and name HA ))
(( segid A and resid 299 and name HN ))
3.000 0.900 0.900 peak 925 spectrum 1 weight 0.11000E+01 volume 0.16776E-02 ppm1 4.169 ppm2 8.661 CV 1
ASSI { 930}
(( segid A and resid 329 and name HG2 ))
(( segid A and resid 299 and name HA ))
3.000 0.900 0.900 peak 930 spectrum 1 weight 0.10000E+01 volume 0.16284E-02 ppm1 1.152 ppm2 4.171 CV 1
ASSI { 931}
( segid A and resid 299 and name HD2%)
(( segid A and resid 299 and name HA ))
2.300 0.800 0.800 peak 931 spectrum 1 weight 0.10000E+01 volume 0.72109E-02 ppm1 0.863 ppm2 4.171 CV 1
ASSI { 932}
(( segid A and resid 318 and name HB3 ))
(( segid A and resid 318 and name HN ))
3.700 1.000 1.000 peak 932 spectrum 1 weight 0.11000E+01 volume 0.27221E-02 ppm1 3.254 ppm2 8.783 CV 1
ASSI { 934}
(( segid A and resid 318 and name HB2 ))
(( segid A and resid 318 and name HN ))
2.700 0.800 0.800 peak 934 spectrum 1 weight 0.11000E+01 volume 0.22902E-02 ppm1 3.046 ppm2 8.785 CV 1
ASSI { 935}
(( segid A and resid 319 and name HN ))
(( segid A and resid 318 and name HB2 ))
3.700 1.000 1.000 peak 935 spectrum 1 weight 0.10000E+01 volume 0.65191E-03 ppm1 8.482 ppm2 3.051 CV 1
ASSI { 940}
(( segid A and resid 318 and name HB2 ))
(( segid A and resid 302 and name HA1 ))
3.200 0.900 0.900 peak 940 spectrum 1 weight 0.11000E+01 volume 0.73787E-03 ppm1 3.047 ppm2 3.875 CV 1
ASSI { 942}
(( segid A and resid 317 and name HA ))
(( segid A and resid 318 and name HB3 ))
5.500 1.400 0.500 peak 942 spectrum 1 weight 0.10000E+01 volume 0.59300E-03 ppm1 3.577 ppm2 3.245 CV 1
ASSI { 943}
(( segid A and resid 317 and name HA ))
(( segid A and resid 318 and name HB2 ))
5.100 1.300 0.900 peak 943 spectrum 1 weight 0.10000E+01 volume 0.46646E-03 ppm1 3.561 ppm2 3.061 CV 1
ASSI { 944}
(( segid A and resid 318 and name HB3 ))
(( segid A and resid 318 and name HB2 ))
1.800 0.700 0.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.17591E-01 ppm1 3.250 ppm2 3.049 CV 1
ASSI { 946}
(( segid A and resid 306 and name HA ))
(( segid A and resid 306 and name HN ))
2.700 0.800 0.800 peak 946 spectrum 1 weight 0.11000E+01 volume 0.33681E-02 ppm1 4.446 ppm2 8.289 CV 1
ASSI { 947}
(( segid A and resid 306 and name HA ))
(( segid A and resid 307 and name HN ))
2.400 0.800 0.800 peak 947 spectrum 1 weight 0.11000E+01 volume 0.71445E-02 ppm1 4.446 ppm2 8.184 CV 1
ASSI { 949}
(( segid A and resid 306 and name HA ))
(( segid A and resid 306 and name HD3 ))
4.000 1.100 1.100 peak 949 spectrum 1 weight 0.11000E+01 volume 0.11751E-02 ppm1 4.448 ppm2 3.085 CV 1
ASSI { 950}
(( segid A and resid 306 and name HA ))
(( segid A and resid 306 and name HD2 ))
3.900 3.900 2.100 peak 950 spectrum 1 weight 0.11000E+01 volume 0.17427E-02 ppm1 4.449 ppm2 2.747 CV 1
ASSI { 951}
(( segid A and resid 306 and name HA ))
(( segid A and resid 307 and name HB2 ))
4.300 4.300 1.700 peak 951 spectrum 1 weight 0.11000E+01 volume 0.90055E-03 ppm1 4.438 ppm2 2.461 CV 1
OR { 951}
(( segid A and resid 306 and name HA ))
(( segid A and resid 307 and name HB3 ))
ASSI { 952}
(( segid A and resid 306 and name HA ))
(( segid A and resid 306 and name HG2 ))
2.500 2.500 3.500 peak 952 spectrum 1 weight 0.11000E+01 volume 0.44078E-02 ppm1 4.445 ppm2 1.599 CV 1
ASSI { 953}
(( segid A and resid 306 and name HA ))
(( segid A and resid 306 and name HB2 ))
2.600 0.800 0.800 peak 953 spectrum 1 weight 0.11000E+01 volume 0.61437E-02 ppm1 4.445 ppm2 1.504 CV 1
ASSI { 954}
(( segid A and resid 306 and name HA ))
(( segid A and resid 306 and name HG3 ))
2.900 0.900 0.900 peak 954 spectrum 1 weight 0.11000E+01 volume 0.31341E-02 ppm1 4.446 ppm2 1.043 CV 1
ASSI { 955}
(( segid A and resid 306 and name HA ))
( segid A and resid 305 and name HG2%)
3.000 0.900 0.900 peak 955 spectrum 1 weight 0.11000E+01 volume 0.20454E-02 ppm1 4.446 ppm2 0.741 CV 1
ASSI { 956}
(( segid A and resid 330 and name HA ))
(( segid A and resid 327 and name HN ))
4.100 4.100 1.900 peak 956 spectrum 1 weight 0.11000E+01 volume 0.69569E-03 ppm1 4.299 ppm2 8.533 CV 1
ASSI { 957}
(( segid A and resid 311 and name HN ))
(( segid A and resid 309 and name HA ))
3.600 1.000 1.000 peak 957 spectrum 1 weight 0.10000E+01 volume 0.10203E-02 ppm1 8.035 ppm2 4.293 CV 1
ASSI { 958}
(( segid A and resid 330 and name HN ))
(( segid A and resid 330 and name HA ))
2.700 0.800 0.800 peak 958 spectrum 1 weight 0.10000E+01 volume 0.44907E-02 ppm1 7.220 ppm2 4.293 CV 1
ASSI { 960}
(( segid A and resid 330 and name HG ))
(( segid A and resid 330 and name HA ))
2.900 0.900 0.900 peak 960 spectrum 1 weight 0.10000E+01 volume 0.29371E-02 ppm1 1.367 ppm2 4.295 CV 1
ASSI { 961}
( segid A and resid 330 and name HD1%)
(( segid A and resid 330 and name HA ))
4.000 1.100 1.100 peak 961 spectrum 1 weight 0.10000E+01 volume 0.14067E-02 ppm1 0.903 ppm2 4.296 CV 1
ASSI { 962}
( segid A and resid 330 and name HD2%)
(( segid A and resid 330 and name HA ))
2.300 0.800 0.800 peak 962 spectrum 1 weight 0.10000E+01 volume 0.12112E-01 ppm1 0.768 ppm2 4.294 CV 1
ASSI { 963}
(( segid A and resid 294 and name HB3 ))
(( segid A and resid 294 and name HA ))
2.800 0.900 0.900 peak 963 spectrum 1 weight 0.10000E+01 volume 0.37709E-02 ppm1 1.687 ppm2 4.611 CV 1
OR { 963}
(( segid A and resid 294 and name HB2 ))
(( segid A and resid 294 and name HA ))
ASSI { 964}
( segid A and resid 294 and name HD1%)
(( segid A and resid 294 and name HA ))
2.700 0.800 0.800 peak 964 spectrum 1 weight 0.10000E+01 volume 0.54105E-02 ppm1 1.017 ppm2 4.615 CV 1
OR { 964}
( segid A and resid 294 and name HD2%)
(( segid A and resid 294 and name HA ))
ASSI { 966}
(( segid A and resid 312 and name HB2 ))
(( segid A and resid 313 and name HN ))
4.200 1.100 1.100 peak 966 spectrum 1 weight 0.11000E+01 volume 0.96640E-03 ppm1 1.991 ppm2 8.585 CV 1
ASSI { 968}
(( segid A and resid 312 and name HB3 ))
(( segid A and resid 312 and name HN ))
4.100 1.100 1.100 peak 968 spectrum 1 weight 0.11000E+01 volume 0.94342E-03 ppm1 1.730 ppm2 7.529 CV 1
ASSI { 969}
(( segid A and resid 312 and name HB2 ))
(( segid A and resid 312 and name HN ))
3.100 0.900 0.900 peak 969 spectrum 1 weight 0.11000E+01 volume 0.91514E-03 ppm1 1.989 ppm2 7.528 CV 1
ASSI { 970}
( segid A and resid 325 and name HE% )
(( segid A and resid 312 and name HB2 ))
4.100 1.100 1.100 peak 970 spectrum 1 weight 0.10000E+01 volume 0.66668E-03 ppm1 7.178 ppm2 1.985 CV 1
ASSI { 971}
( segid A and resid 325 and name HE% )
(( segid A and resid 312 and name HB3 ))
3.600 1.000 1.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.47002E-03 ppm1 7.184 ppm2 1.735 CV 1
ASSI { 973}
(( segid A and resid 312 and name HA ))
(( segid A and resid 312 and name HB3 ))
2.800 0.900 0.900 peak 973 spectrum 1 weight 0.10000E+01 volume 0.30677E-02 ppm1 4.432 ppm2 1.726 CV 1
ASSI { 976}
(( segid A and resid 312 and name HD3 ))
(( segid A and resid 312 and name HB3 ))
3.200 0.900 0.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.11454E-02 ppm1 2.784 ppm2 1.737 CV 1
ASSI { 977}
(( segid A and resid 312 and name HD2 ))
(( segid A and resid 312 and name HB3 ))
3.100 0.900 0.900 peak 977 spectrum 1 weight 0.10000E+01 volume 0.18634E-02 ppm1 2.964 ppm2 1.727 CV 1
ASSI { 978}
(( segid A and resid 312 and name HB2 ))
(( segid A and resid 312 and name HB3 ))
1.900 0.700 0.700 peak 978 spectrum 1 weight 0.10000E+01 volume 0.10626E-01 ppm1 1.988 ppm2 1.726 CV 1
ASSI { 980}
( segid A and resid 308 and name HG2%)
(( segid A and resid 312 and name HB2 ))
3.300 1.000 1.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.19153E-02 ppm1 1.448 ppm2 1.987 CV 1
ASSI { 984}
(( segid A and resid 329 and name HB3 ))
(( segid A and resid 330 and name HN ))
4.200 4.200 1.800 peak 984 spectrum 1 weight 0.11000E+01 volume 0.65992E-03 ppm1 1.505 ppm2 7.213 CV 1
ASSI { 987}
(( segid A and resid 329 and name HD3 ))
(( segid A and resid 329 and name HB3 ))
3.400 1.000 1.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.18118E-02 ppm1 2.777 ppm2 1.529 CV 1
OR { 987}
(( segid A and resid 329 and name HD2 ))
(( segid A and resid 329 and name HB3 ))
ASSI { 988}
(( segid A and resid 329 and name HB2 ))
(( segid A and resid 329 and name HB3 ))
2.000 0.700 0.700 peak 988 spectrum 1 weight 0.10000E+01 volume 0.82457E-02 ppm1 1.911 ppm2 1.536 CV 1
ASSI { 989}
(( segid A and resid 329 and name HG3 ))
(( segid A and resid 329 and name HB3 ))
2.900 0.900 0.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.33820E-02 ppm1 1.769 ppm2 1.535 CV 1
ASSI { 990}
(( segid A and resid 329 and name HG2 ))
(( segid A and resid 329 and name HB3 ))
2.600 0.800 0.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.24128E-02 ppm1 1.177 ppm2 1.536 CV 1
ASSI { 991}
(( segid A and resid 329 and name HB2 ))
(( segid A and resid 329 and name HE ))
3.500 1.000 1.000 peak 991 spectrum 1 weight 0.11000E+01 volume 0.97086E-03 ppm1 1.910 ppm2 8.831 CV 1
ASSI { 992}
(( segid A and resid 329 and name HB2 ))
(( segid A and resid 329 and name HN ))
3.000 0.900 0.900 peak 992 spectrum 1 weight 0.11000E+01 volume 0.21752E-02 ppm1 1.912 ppm2 8.535 CV 1
ASSI { 993}
(( segid A and resid 329 and name HB2 ))
(( segid A and resid 330 and name HN ))
3.600 1.000 1.000 peak 993 spectrum 1 weight 0.11000E+01 volume 0.59158E-03 ppm1 1.909 ppm2 7.227 CV 1
ASSI { 998}
(( segid A and resid 329 and name HD3 ))
(( segid A and resid 329 and name HB2 ))
2.900 0.900 0.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.25302E-02 ppm1 2.772 ppm2 1.904 CV 1
OR { 998}
(( segid A and resid 329 and name HD2 ))
(( segid A and resid 329 and name HB2 ))
ASSI { 999}
(( segid A and resid 300 and name HB3 ))
(( segid A and resid 300 and name HB2 ))
1.700 0.600 0.600 peak 999 spectrum 1 weight 0.10000E+01 volume 0.16974E-01 ppm1 2.459 ppm2 1.907 CV 1
ASSI { 1000}
(( segid A and resid 329 and name HG2 ))
(( segid A and resid 329 and name HB2 ))
3.000 0.900 0.900 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.27883E-02 ppm1 1.187 ppm2 1.912 CV 1
ASSI { 1002}
(( segid A and resid 329 and name HG3 ))
(( segid A and resid 329 and name HB2 ))
2.400 0.800 0.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.47061E-02 ppm1 1.770 ppm2 1.912 CV 1
ASSI { 1003}
(( segid A and resid 300 and name HG2 ))
(( segid A and resid 300 and name HB3 ))
2.900 0.900 0.900 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.25833E-02 ppm1 1.265 ppm2 2.463 CV 1
ASSI { 1004}
(( segid A and resid 300 and name HG3 ))
(( segid A and resid 300 and name HB3 ))
2.400 0.800 0.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.43284E-02 ppm1 1.662 ppm2 2.461 CV 1
ASSI { 1008}
(( segid A and resid 301 and name HD3 ))
(( segid A and resid 300 and name HB3 ))
2.900 0.900 0.900 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.36401E-02 ppm1 3.678 ppm2 2.458 CV 1
ASSI { 1011}
(( segid A and resid 305 and name HN ))
(( segid A and resid 305 and name HG12))
3.400 1.000 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.22268E-02 ppm1 8.636 ppm2 1.483 CV 1
ASSI { 1012}
(( segid A and resid 306 and name HN ))
(( segid A and resid 305 and name HG12))
4.300 1.200 1.200 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.85784E-03 ppm1 8.303 ppm2 1.485 CV 1
ASSI { 1013}
(( segid A and resid 305 and name HN ))
(( segid A and resid 305 and name HG13))
3.200 0.900 0.900 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.81051E-03 ppm1 8.641 ppm2 0.852 CV 1
ASSI { 1014}
(( segid A and resid 305 and name HG13))
(( segid A and resid 306 and name HN ))
4.700 1.200 1.200 peak 1014 spectrum 1 weight 0.11000E+01 volume 0.79872E-03 ppm1 0.868 ppm2 8.296 CV 1
ASSI { 1015}
( segid A and resid 315 and name HE% )
(( segid A and resid 305 and name HG13))
3.600 3.600 2.400 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.11494E-02 ppm1 7.246 ppm2 0.859 CV 1
ASSI { 1016}
( segid A and resid 315 and name HD% )
(( segid A and resid 305 and name HG13))
3.600 1.000 1.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.11800E-02 ppm1 7.063 ppm2 0.853 CV 1
ASSI { 1017}
( segid A and resid 315 and name HD% )
(( segid A and resid 305 and name HG12))
3.300 1.000 1.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.73057E-03 ppm1 7.066 ppm2 1.488 CV 1
ASSI { 1018}
( segid A and resid 315 and name HE% )
(( segid A and resid 305 and name HG12))
2.900 0.900 0.900 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.95763E-03 ppm1 7.247 ppm2 1.487 CV 1
ASSI { 1019}
(( segid A and resid 305 and name HG12))
(( segid A and resid 305 and name HG13))
1.700 0.600 0.600 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.13254E-01 ppm1 1.489 ppm2 0.859 CV 1
ASSI { 1020}
( segid A and resid 299 and name HD1%)
(( segid A and resid 305 and name HG12))
3.000 3.000 3.000 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.24110E-02 ppm1 1.076 ppm2 1.491 CV 1
ASSI { 1021}
( segid A and resid 305 and name HG2%)
(( segid A and resid 305 and name HG12))
2.800 0.900 0.900 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.23806E-02 ppm1 0.751 ppm2 1.485 CV 1
ASSI { 1023}
( segid A and resid 305 and name HG2%)
(( segid A and resid 305 and name HG13))
3.100 0.900 0.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.39305E-02 ppm1 0.771 ppm2 0.857 CV 1
ASSI { 1028}
(( segid A and resid 304 and name HG3 ))
(( segid A and resid 306 and name HG3 ))
3.800 1.100 1.100 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.93147E-03 ppm1 2.183 ppm2 1.047 CV 1
OR { 1028}
(( segid A and resid 304 and name HB2 ))
(( segid A and resid 306 and name HG3 ))
ASSI { 1029}
(( segid A and resid 306 and name HG2 ))
(( segid A and resid 306 and name HG3 ))
2.000 0.700 0.700 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.76976E-02 ppm1 1.620 ppm2 1.045 CV 1
ASSI { 1033}
( segid A and resid 316 and name HG2%)
(( segid A and resid 306 and name HG2 ))
4.400 1.200 1.200 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.73040E-03 ppm1 0.590 ppm2 1.621 CV 1
ASSI { 1035}
(( segid A and resid 299 and name HN ))
(( segid A and resid 299 and name HG ))
2.900 0.900 0.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.20656E-02 ppm1 8.666 ppm2 1.820 CV 1
ASSI { 1039}
(( segid A and resid 301 and name HD3 ))
(( segid A and resid 301 and name HG2 ))
3.100 0.900 0.900 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.33889E-02 ppm1 3.677 ppm2 2.109 CV 1
ASSI { 1040}
(( segid A and resid 301 and name HB3 ))
(( segid A and resid 301 and name HG3 ))
2.200 0.700 0.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.85942E-02 ppm1 2.415 ppm2 2.213 CV 1
ASSI { 1041}
(( segid A and resid 301 and name HB3 ))
(( segid A and resid 301 and name HG2 ))
2.800 0.900 0.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.73465E-02 ppm1 2.414 ppm2 2.108 CV 1
ASSI { 1042}
(( segid A and resid 301 and name HG2 ))
(( segid A and resid 301 and name HG3 ))
1.700 0.600 0.600 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.30134E-01 ppm1 2.095 ppm2 2.210 CV 1
OR { 1042}
(( segid A and resid 301 and name HB2 ))
(( segid A and resid 301 and name HG3 ))
ASSI { 1043}
(( segid A and resid 301 and name HG3 ))
(( segid A and resid 301 and name HG2 ))
1.700 0.600 0.600 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.25218E-01 ppm1 2.202 ppm2 2.106 CV 1
ASSI { 1044}
(( segid A and resid 299 and name HA ))
(( segid A and resid 299 and name HG ))
3.100 0.900 0.900 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.15903E-02 ppm1 4.167 ppm2 1.820 CV 1
ASSI { 1048}
( segid A and resid 299 and name HD2%)
(( segid A and resid 299 and name HG ))
2.600 0.800 0.800 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.33683E-02 ppm1 0.862 ppm2 1.819 CV 1
ASSI { 1050}
( segid A and resid 294 and name HD2%)
(( segid A and resid 294 and name HB3 ))
2.700 0.800 0.800 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.53545E-02 ppm1 1.019 ppm2 1.686 CV 1
OR { 1050}
( segid A and resid 294 and name HD2%)
(( segid A and resid 294 and name HB2 ))
OR { 1050}
( segid A and resid 294 and name HD1%)
(( segid A and resid 294 and name HB3 ))
OR { 1050}
( segid A and resid 294 and name HD1%)
(( segid A and resid 294 and name HB2 ))
ASSI { 1051}
(( segid A and resid 317 and name HB3 ))
( segid A and resid 322 and name HG2%)
3.400 1.000 1.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.10251E-02 ppm1 0.086 ppm2 0.960 CV 1
ASSI { 1053}
( segid A and resid 316 and name HG1%)
( segid A and resid 316 and name HG2%)
2.100 0.700 0.700 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.12026E-01 ppm1 0.354 ppm2 0.585 CV 1
ASSI { 1055}
( segid A and resid 323 and name HG2%)
( segid A and resid 316 and name HG1%)
2.600 0.800 0.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.48579E-02 ppm1 1.244 ppm2 0.354 CV 1
ASSI { 1056}
(( segid A and resid 316 and name HB ))
( segid A and resid 316 and name HG1%)
2.200 0.700 0.700 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.90516E-02 ppm1 1.811 ppm2 0.354 CV 1
ASSI { 1057}
(( segid A and resid 304 and name HB3 ))
( segid A and resid 316 and name HG1%)
3.600 1.000 1.000 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.13405E-02 ppm1 1.961 ppm2 0.354 CV 1
ASSI { 1058}
(( segid A and resid 304 and name HB2 ))
( segid A and resid 316 and name HG1%)
3.900 1.100 1.100 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.14234E-02 ppm1 2.202 ppm2 0.351 CV 1
OR { 1058}
(( segid A and resid 304 and name HG3 ))
( segid A and resid 316 and name HG1%)
ASSI { 1059}
(( segid A and resid 306 and name HD2 ))
( segid A and resid 316 and name HG1%)
3.800 1.100 1.100 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.72773E-03 ppm1 2.686 ppm2 0.358 CV 1
ASSI { 1067}
(( segid A and resid 322 and name HN ))
( segid A and resid 316 and name HG1%)
3.800 1.100 1.100 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.70655E-03 ppm1 7.445 ppm2 0.353 CV 1
ASSI { 1068}
(( segid A and resid 318 and name HE1 ))
( segid A and resid 316 and name HG1%)
3.000 0.900 0.900 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.21033E-02 ppm1 7.762 ppm2 0.354 CV 1
ASSI { 1069}
( segid A and resid 316 and name HG1%)
(( segid A and resid 318 and name HN ))
3.600 1.000 1.000 peak 1069 spectrum 1 weight 0.11000E+01 volume 0.72452E-03 ppm1 0.352 ppm2 8.787 CV 1
ASSI { 1070}
( segid A and resid 316 and name HG1%)
(( segid A and resid 317 and name HN ))
2.800 0.900 0.900 peak 1070 spectrum 1 weight 0.11000E+01 volume 0.39097E-02 ppm1 0.358 ppm2 8.279 CV 1
ASSI { 1071}
( segid A and resid 316 and name HG1%)
(( segid A and resid 316 and name HN ))
3.500 1.000 1.000 peak 1071 spectrum 1 weight 0.11000E+01 volume 0.22778E-02 ppm1 0.353 ppm2 9.457 CV 1
ASSI { 1072}
( segid A and resid 316 and name HG2%)
(( segid A and resid 316 and name HN ))
2.500 0.800 0.800 peak 1072 spectrum 1 weight 0.11000E+01 volume 0.50398E-02 ppm1 0.590 ppm2 9.459 CV 1
ASSI { 1074}
( segid A and resid 316 and name HG2%)
(( segid A and resid 317 and name HN ))
3.700 1.000 1.000 peak 1074 spectrum 1 weight 0.11000E+01 volume 0.26663E-02 ppm1 0.583 ppm2 8.285 CV 1
ASSI { 1075}
( segid A and resid 314 and name HD% )
( segid A and resid 316 and name HG2%)
2.600 0.800 0.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.40470E-02 ppm1 6.850 ppm2 0.586 CV 1
ASSI { 1077}
(( segid A and resid 323 and name HA ))
( segid A and resid 316 and name HG2%)
3.700 1.000 1.000 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.11374E-02 ppm1 5.576 ppm2 0.587 CV 1
ASSI { 1078}
(( segid A and resid 315 and name HA ))
( segid A and resid 316 and name HG2%)
3.200 0.900 0.900 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.19716E-02 ppm1 5.169 ppm2 0.585 CV 1
ASSI { 1081}
(( segid A and resid 306 and name HD3 ))
( segid A and resid 316 and name HG2%)
3.200 0.900 0.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.26865E-02 ppm1 3.090 ppm2 0.586 CV 1
ASSI { 1083}
(( segid A and resid 304 and name HG2 ))
( segid A and resid 316 and name HG2%)
3.700 1.000 1.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.78518E-03 ppm1 2.474 ppm2 0.591 CV 1
ASSI { 1084}
(( segid A and resid 304 and name HB2 ))
( segid A and resid 316 and name HG2%)
3.800 1.100 1.100 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.17487E-02 ppm1 2.192 ppm2 0.588 CV 1
OR { 1084}
(( segid A and resid 304 and name HG3 ))
( segid A and resid 316 and name HG2%)
ASSI { 1085}
(( segid A and resid 304 and name HB3 ))
( segid A and resid 316 and name HG2%)
3.000 0.900 0.900 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.19109E-02 ppm1 1.959 ppm2 0.586 CV 1
ASSI { 1086}
(( segid A and resid 316 and name HB ))
( segid A and resid 316 and name HG2%)
2.100 0.700 0.700 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.11262E-01 ppm1 1.811 ppm2 0.587 CV 1
ASSI { 1088}
( segid A and resid 323 and name HG2%)
( segid A and resid 316 and name HG2%)
2.400 0.800 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.93230E-02 ppm1 1.244 ppm2 0.584 CV 1
ASSI { 1089}
(( segid A and resid 306 and name HG3 ))
( segid A and resid 316 and name HG2%)
2.700 0.800 0.800 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.38645E-02 ppm1 1.044 ppm2 0.584 CV 1
ASSI { 1093}
(( segid A and resid 320 and name HA ))
( segid A and resid 322 and name HG2%)
4.300 1.200 1.200 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.97532E-03 ppm1 4.599 ppm2 0.964 CV 1
ASSI { 1094}
(( segid A and resid 322 and name HA ))
( segid A and resid 322 and name HG2%)
2.500 0.800 0.800 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.92497E-02 ppm1 4.814 ppm2 0.958 CV 1
ASSI { 1095}
(( segid A and resid 320 and name HN ))
( segid A and resid 322 and name HG2%)
3.800 1.100 1.100 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.10541E-02 ppm1 6.868 ppm2 0.959 CV 1
ASSI { 1096}
(( segid A and resid 322 and name HN ))
( segid A and resid 322 and name HG2%)
2.800 0.900 0.900 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.28467E-02 ppm1 7.433 ppm2 0.959 CV 1
ASSI { 1097}
(( segid A and resid 323 and name HN ))
( segid A and resid 322 and name HG2%)
3.000 0.900 0.900 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.24978E-02 ppm1 8.073 ppm2 0.960 CV 1
ASSI { 1098}
(( segid A and resid 317 and name HN ))
( segid A and resid 322 and name HG2%)
3.600 1.000 1.000 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.81369E-03 ppm1 8.269 ppm2 0.957 CV 1
ASSI { 1103}
( segid A and resid 326 and name HG2%)
(( segid A and resid 327 and name HN ))
2.800 0.900 0.900 peak 1103 spectrum 1 weight 0.11000E+01 volume 0.32195E-02 ppm1 1.163 ppm2 8.538 CV 1
ASSI { 1104}
(( segid A and resid 324 and name HE21))
( segid A and resid 326 and name HG2%)
3.900 1.100 1.100 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.12916E-02 ppm1 8.048 ppm2 1.163 CV 1
ASSI { 1105}
(( segid A and resid 326 and name HN ))
( segid A and resid 326 and name HG2%)
4.000 1.100 1.100 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.97834E-03 ppm1 7.441 ppm2 1.164 CV 1
ASSI { 1107}
( segid A and resid 315 and name HD% )
( segid A and resid 326 and name HG2%)
4.300 1.200 1.200 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.54193E-03 ppm1 7.067 ppm2 1.163 CV 1
ASSI { 1110}
(( segid A and resid 327 and name HB3 ))
( segid A and resid 326 and name HG2%)
4.200 1.100 1.100 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.68910E-03 ppm1 2.357 ppm2 1.171 CV 1
ASSI { 1111}
(( segid A and resid 325 and name HB3 ))
( segid A and resid 326 and name HG2%)
4.100 1.100 1.100 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.54014E-03 ppm1 3.018 ppm2 1.164 CV 1
ASSI { 1112}
(( segid A and resid 325 and name HB2 ))
( segid A and resid 326 and name HG2%)
4.000 1.100 1.100 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.62236E-03 ppm1 3.561 ppm2 1.166 CV 1
ASSI { 1113}
( segid A and resid 313 and name HG1%)
(( segid A and resid 314 and name HN ))
2.700 0.800 0.800 peak 1113 spectrum 1 weight 0.11000E+01 volume 0.53728E-02 ppm1 0.751 ppm2 8.889 CV 1
ASSI { 1114}
( segid A and resid 313 and name HG1%)
(( segid A and resid 313 and name HN ))
2.900 0.900 0.900 peak 1114 spectrum 1 weight 0.11000E+01 volume 0.27244E-02 ppm1 0.750 ppm2 8.586 CV 1
ASSI { 1115}
(( segid A and resid 306 and name HN ))
( segid A and resid 313 and name HG1%)
3.500 1.000 1.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.12114E-02 ppm1 8.296 ppm2 0.755 CV 1
ASSI { 1117}
(( segid A and resid 307 and name HD21))
( segid A and resid 313 and name HG1%)
3.200 0.900 0.900 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.17805E-02 ppm1 7.063 ppm2 0.752 CV 1
ASSI { 1119}
(( segid A and resid 307 and name HD22))
( segid A and resid 313 and name HG2%)
3.300 1.000 1.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.16249E-02 ppm1 6.768 ppm2 1.018 CV 1
ASSI { 1120}
(( segid A and resid 307 and name HD21))
( segid A and resid 313 and name HG2%)
3.200 0.900 0.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.17475E-02 ppm1 7.056 ppm2 1.016 CV 1
ASSI { 1121}
( segid A and resid 315 and name HE% )
( segid A and resid 313 and name HG2%)
3.000 0.900 0.900 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.14149E-02 ppm1 7.245 ppm2 1.016 CV 1
ASSI { 1122}
( segid A and resid 313 and name HG2%)
(( segid A and resid 313 and name HN ))
2.500 0.800 0.800 peak 1122 spectrum 1 weight 0.11000E+01 volume 0.86797E-02 ppm1 1.018 ppm2 8.585 CV 1
ASSI { 1123}
(( segid A and resid 306 and name HN ))
( segid A and resid 313 and name HG2%)
3.900 3.900 2.100 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.57325E-03 ppm1 8.298 ppm2 1.024 CV 1
ASSI { 1127}
(( segid A and resid 314 and name HA ))
( segid A and resid 313 and name HG2%)
3.500 1.000 1.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.74018E-03 ppm1 4.954 ppm2 1.021 CV 1
ASSI { 1130}
(( segid A and resid 314 and name HA ))
( segid A and resid 313 and name HG1%)
2.900 0.900 0.900 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.14273E-02 ppm1 4.938 ppm2 0.751 CV 1
ASSI { 1132}
(( segid A and resid 312 and name HA ))
( segid A and resid 313 and name HG1%)
3.700 1.000 1.000 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.15810E-02 ppm1 4.446 ppm2 0.754 CV 1
ASSI { 1136}
(( segid A and resid 327 and name HB2 ))
( segid A and resid 330 and name HD2%)
4.000 1.100 1.100 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.10917E-02 ppm1 2.643 ppm2 0.766 CV 1
ASSI { 1137}
(( segid A and resid 307 and name HB3 ))
( segid A and resid 313 and name HG1%)
4.000 1.100 1.100 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.88324E-03 ppm1 2.477 ppm2 0.751 CV 1
OR { 1137}
(( segid A and resid 307 and name HB2 ))
( segid A and resid 313 and name HG1%)
ASSI { 1138}
(( segid A and resid 313 and name HB ))
( segid A and resid 313 and name HG1%)
2.200 0.700 0.700 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.10447E-01 ppm1 1.967 ppm2 0.751 CV 1
ASSI { 1139}
(( segid A and resid 330 and name HB2 ))
( segid A and resid 330 and name HD2%)
3.000 0.900 0.900 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.70283E-02 ppm1 1.565 ppm2 0.767 CV 1
ASSI { 1140}
(( segid A and resid 330 and name HG ))
( segid A and resid 330 and name HD2%)
2.200 0.700 0.700 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.10233E-01 ppm1 1.368 ppm2 0.767 CV 1
ASSI { 1141}
( segid A and resid 313 and name HG2%)
( segid A and resid 313 and name HG1%)
2.100 0.700 0.700 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.17048E-01 ppm1 1.014 ppm2 0.749 CV 1
ASSI { 1143}
(( segid A and resid 313 and name HB ))
( segid A and resid 313 and name HG2%)
2.200 0.700 0.700 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.12191E-01 ppm1 1.967 ppm2 1.018 CV 1
ASSI { 1144}
(( segid A and resid 307 and name HB3 ))
( segid A and resid 313 and name HG2%)
3.700 1.000 1.000 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.15489E-02 ppm1 2.474 ppm2 1.018 CV 1
OR { 1144}
(( segid A and resid 307 and name HB2 ))
( segid A and resid 313 and name HG2%)
ASSI { 1145}
( segid A and resid 299 and name HD1%)
( segid A and resid 299 and name HD2%)
2.000 0.700 0.700 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.14178E-01 ppm1 1.091 ppm2 0.863 CV 1
ASSI { 1147}
(( segid A and resid 299 and name HG ))
( segid A and resid 299 and name HD2%)
2.100 0.700 0.700 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.10740E-01 ppm1 1.801 ppm2 0.864 CV 1
OR { 1147}
(( segid A and resid 299 and name HB2 ))
( segid A and resid 299 and name HD2%)
ASSI { 1155}
(( segid A and resid 328 and name HG2 ))
( segid A and resid 299 and name HD2%)
2.800 0.900 0.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.16581E-02 ppm1 0.212 ppm2 0.863 CV 1
ASSI { 1156}
(( segid A and resid 328 and name HG3 ))
( segid A and resid 299 and name HD2%)
3.500 1.000 1.000 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.11700E-02 ppm1 0.536 ppm2 0.865 CV 1
ASSI { 1158}
(( segid A and resid 329 and name HE ))
( segid A and resid 299 and name HD2%)
3.100 3.100 2.900 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.89768E-03 ppm1 8.816 ppm2 0.862 CV 1
ASSI { 1159}
( segid A and resid 299 and name HD2%)
(( segid A and resid 299 and name HN ))
3.600 1.000 1.000 peak 1159 spectrum 1 weight 0.11000E+01 volume 0.17669E-02 ppm1 0.868 ppm2 8.652 CV 1
ASSI { 1160}
( segid A and resid 299 and name HD2%)
(( segid A and resid 329 and name HN ))
3.600 1.000 1.000 peak 1160 spectrum 1 weight 0.11000E+01 volume 0.11552E-02 ppm1 0.862 ppm2 8.544 CV 1
ASSI { 1161}
( segid A and resid 315 and name HE% )
( segid A and resid 299 and name HD2%)
2.400 0.800 0.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.37417E-02 ppm1 7.226 ppm2 0.865 CV 1
ASSI { 1163}
(( segid A and resid 303 and name HE3 ))
( segid A and resid 299 and name HD2%)
3.700 1.000 1.000 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.12892E-02 ppm1 7.374 ppm2 0.862 CV 1
ASSI { 1164}
(( segid A and resid 308 and name HN ))
( segid A and resid 308 and name HG2%)
2.400 0.800 0.800 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.55248E-02 ppm1 9.581 ppm2 1.447 CV 1
ASSI { 1165}
( segid A and resid 325 and name HD% )
( segid A and resid 308 and name HG2%)
4.500 1.200 1.200 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.55314E-03 ppm1 7.703 ppm2 1.453 CV 1
ASSI { 1166}
(( segid A and resid 312 and name HN ))
( segid A and resid 308 and name HG2%)
4.200 1.100 1.100 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.56631E-03 ppm1 7.543 ppm2 1.451 CV 1
ASSI { 1167}
( segid A and resid 325 and name HE% )
( segid A and resid 308 and name HG2%)
2.500 0.800 0.800 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.36025E-02 ppm1 7.171 ppm2 1.446 CV 1
ASSI { 1168}
( segid A and resid 314 and name HD% )
( segid A and resid 308 and name HG2%)
2.200 0.700 0.700 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.62137E-02 ppm1 6.850 ppm2 1.448 CV 1
ASSI { 1171}
(( segid A and resid 308 and name HB ))
( segid A and resid 308 and name HG2%)
2.300 0.800 0.800 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.75147E-02 ppm1 4.898 ppm2 1.448 CV 1
ASSI { 1175}
(( segid A and resid 313 and name HA ))
( segid A and resid 308 and name HG2%)
3.900 1.100 1.100 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.77861E-03 ppm1 4.609 ppm2 1.447 CV 1
ASSI { 1179}
(( segid A and resid 312 and name HD3 ))
( segid A and resid 308 and name HG2%)
4.200 1.100 1.100 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.69053E-03 ppm1 2.782 ppm2 1.443 CV 1
ASSI { 1180}
(( segid A and resid 314 and name HB2 ))
( segid A and resid 308 and name HG2%)
4.200 1.100 1.100 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.88452E-03 ppm1 2.615 ppm2 1.446 CV 1
ASSI { 1183}
(( segid A and resid 312 and name HB3 ))
( segid A and resid 308 and name HG2%)
2.600 0.800 0.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.32633E-02 ppm1 1.730 ppm2 1.448 CV 1
ASSI { 1184}
(( segid B and resid 210 and name HD3 ))
( segid A and resid 323 and name HG2%)
3.600 3.600 2.400 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.11880E-02 ppm1 3.476 ppm2 1.246 CV 1
ASSI { 1186}
(( segid A and resid 314 and name HB2 ))
( segid A and resid 323 and name HG2%)
3.400 1.000 1.000 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.17771E-02 ppm1 2.627 ppm2 1.245 CV 1
ASSI { 1193}
(( segid A and resid 324 and name HN ))
( segid A and resid 323 and name HG2%)
3.700 1.000 1.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.15898E-02 ppm1 9.137 ppm2 1.243 CV 1
ASSI { 1194}
( segid A and resid 323 and name HG2%)
(( segid A and resid 317 and name HN ))
3.600 1.000 1.000 peak 1194 spectrum 1 weight 0.11000E+01 volume 0.13841E-02 ppm1 1.245 ppm2 8.283 CV 1
ASSI { 1195}
(( segid A and resid 323 and name HN ))
( segid A and resid 323 and name HG2%)
3.100 0.900 0.900 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.22117E-02 ppm1 8.074 ppm2 1.245 CV 1
ASSI { 1198}
( segid A and resid 314 and name HD% )
( segid A and resid 323 and name HG2%)
2.600 0.800 0.800 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.32896E-02 ppm1 6.851 ppm2 1.243 CV 1
ASSI { 1202}
(( segid A and resid 315 and name HA ))
( segid A and resid 323 and name HG2%)
4.000 1.100 1.100 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.75820E-03 ppm1 5.143 ppm2 1.243 CV 1
ASSI { 1203}
( segid A and resid 323 and name HG2%)
(( segid B and resid 209 and name HA ))
3.400 3.400 2.600 peak 1203 spectrum 1 weight 0.11000E+01 volume 0.13666E-02 ppm1 1.240 ppm2 4.425 CV 1
ASSI { 1204}
(( segid A and resid 323 and name HB ))
( segid A and resid 323 and name HG2%)
2.100 0.700 0.700 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.10090E-01 ppm1 4.196 ppm2 1.243 CV 1
ASSI { 1206}
( segid A and resid 315 and name HE% )
( segid A and resid 294 and name HD1%)
2.700 2.700 3.300 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.18737E-02 ppm1 7.286 ppm2 1.019 CV 1
ASSI { 1207}
( segid A and resid 315 and name HD% )
( segid A and resid 294 and name HD1%)
3.300 3.300 2.700 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.59550E-03 ppm1 7.069 ppm2 1.021 CV 1
ASSI { 1208}
(( segid A and resid 294 and name HA ))
( segid A and resid 294 and name HD1%)
2.600 0.800 0.800 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.50754E-02 ppm1 4.613 ppm2 1.019 CV 1
ASSI { 1209}
(( segid A and resid 327 and name HB3 ))
( segid A and resid 294 and name HD1%)
3.200 3.200 2.800 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.64817E-03 ppm1 2.371 ppm2 1.023 CV 1
ASSI { 1210}
(( segid A and resid 294 and name HG ))
( segid A and resid 294 and name HD1%)
2.500 0.800 0.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.61927E-02 ppm1 1.751 ppm2 1.024 CV 1
ASSI { 1211}
( segid A and resid 330 and name HD1%)
(( segid A and resid 327 and name HN ))
3.300 1.000 1.000 peak 1211 spectrum 1 weight 0.11000E+01 volume 0.12814E-02 ppm1 0.899 ppm2 8.536 CV 1
ASSI { 1213}
(( segid A and resid 294 and name HA ))
( segid A and resid 330 and name HD1%)
3.800 1.100 1.100 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.58552E-03 ppm1 4.602 ppm2 0.898 CV 1
ASSI { 1219}
(( segid A and resid 293 and name HB3 ))
( segid A and resid 330 and name HD1%)
3.600 1.000 1.000 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.87832E-03 ppm1 1.989 ppm2 0.902 CV 1
OR { 1219}
(( segid A and resid 293 and name HG2 ))
( segid A and resid 330 and name HD1%)
OR { 1219}
(( segid A and resid 293 and name HG3 ))
( segid A and resid 330 and name HD1%)
ASSI { 1220}
(( segid A and resid 330 and name HB2 ))
( segid A and resid 330 and name HD1%)
2.500 0.800 0.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.58658E-02 ppm1 1.602 ppm2 0.896 CV 1
OR { 1220}
(( segid A and resid 330 and name HB3 ))
( segid A and resid 330 and name HD1%)
ASSI { 1221}
(( segid A and resid 330 and name HG ))
( segid A and resid 330 and name HD1%)
2.600 0.800 0.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.38860E-02 ppm1 1.361 ppm2 0.895 CV 1
ASSI { 1223}
(( segid A and resid 329 and name HN ))
(( segid A and resid 328 and name HG2 ))
3.100 0.900 0.900 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.84771E-03 ppm1 8.533 ppm2 0.216 CV 1
ASSI { 1224}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 328 and name HG2 ))
4.300 1.200 1.200 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.86835E-03 ppm1 7.387 ppm2 0.208 CV 1
OR { 1224}
(( segid A and resid 303 and name HZ2 ))
(( segid A and resid 328 and name HG2 ))
ASSI { 1226}
( segid A and resid 315 and name HD% )
(( segid A and resid 328 and name HG3 ))
3.900 1.100 1.100 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.55153E-03 ppm1 7.048 ppm2 0.537 CV 1
ASSI { 1227}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 328 and name HG3 ))
3.700 1.000 1.000 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.45650E-03 ppm1 7.409 ppm2 0.548 CV 1
OR { 1227}
(( segid A and resid 303 and name HZ2 ))
(( segid A and resid 328 and name HG3 ))
ASSI { 1238}
(( segid A and resid 328 and name HG3 ))
(( segid A and resid 328 and name HG2 ))
1.900 0.700 0.700 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.91318E-02 ppm1 0.544 ppm2 0.210 CV 1
ASSI { 1240}
(( segid A and resid 304 and name HN ))
( segid A and resid 299 and name HD1%)
3.300 1.000 1.000 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.99309E-03 ppm1 9.451 ppm2 1.080 CV 1
ASSI { 1241}
( segid A and resid 299 and name HD1%)
(( segid A and resid 305 and name HN ))
2.700 0.800 0.800 peak 1241 spectrum 1 weight 0.11000E+01 volume 0.35550E-02 ppm1 1.082 ppm2 8.640 CV 1
ASSI { 1242}
( segid A and resid 315 and name HE% )
( segid A and resid 299 and name HD1%)
3.200 0.900 0.900 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.14405E-02 ppm1 7.235 ppm2 1.081 CV 1
ASSI { 1243}
( segid A and resid 315 and name HD% )
( segid A and resid 299 and name HD1%)
2.700 0.800 0.800 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.21486E-02 ppm1 7.063 ppm2 1.081 CV 1
ASSI { 1244}
(( segid A and resid 304 and name HA ))
( segid A and resid 299 and name HD1%)
2.400 0.800 0.800 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.55901E-02 ppm1 4.823 ppm2 1.079 CV 1
ASSI { 1246}
(( segid A and resid 299 and name HA ))
( segid A and resid 299 and name HD1%)
3.900 1.100 1.100 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.12031E-02 ppm1 4.176 ppm2 1.080 CV 1
ASSI { 1250}
(( segid A and resid 304 and name HG2 ))
( segid A and resid 299 and name HD1%)
4.200 1.100 1.100 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.10778E-02 ppm1 2.471 ppm2 1.086 CV 1
ASSI { 1251}
(( segid A and resid 299 and name HG ))
( segid A and resid 299 and name HD1%)
2.200 0.700 0.700 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.77710E-02 ppm1 1.788 ppm2 1.080 CV 1
OR { 1251}
(( segid A and resid 299 and name HB2 ))
( segid A and resid 299 and name HD1%)
ASSI { 1253}
(( segid A and resid 300 and name HA ))
(( segid A and resid 329 and name HG2 ))
4.100 4.100 1.900 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.62255E-03 ppm1 4.782 ppm2 1.166 CV 1
ASSI { 1256}
(( segid A and resid 300 and name HD2 ))
(( segid A and resid 329 and name HG2 ))
4.200 1.100 1.100 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.82261E-03 ppm1 3.295 ppm2 1.174 CV 1
ASSI { 1259}
(( segid A and resid 329 and name HG3 ))
(( segid A and resid 329 and name HG2 ))
1.900 0.700 0.700 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.69394E-02 ppm1 1.770 ppm2 1.175 CV 1
ASSI { 1262}
(( segid A and resid 328 and name HG3 ))
(( segid A and resid 329 and name HG2 ))
4.900 1.300 1.100 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.64693E-03 ppm1 0.536 ppm2 1.184 CV 1
ASSI { 1263}
(( segid A and resid 328 and name HB2 ))
(( segid A and resid 329 and name HG3 ))
3.100 3.100 2.900 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.24910E-02 ppm1 0.765 ppm2 1.769 CV 1
ASSI { 1267}
(( segid A and resid 312 and name HB2 ))
(( segid A and resid 312 and name HG2 ))
2.700 0.800 0.800 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.59073E-02 ppm1 1.977 ppm2 1.796 CV 1
ASSI { 1269}
(( segid A and resid 312 and name HD2 ))
(( segid A and resid 312 and name HG2 ))
3.200 0.900 0.900 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.18226E-02 ppm1 2.966 ppm2 1.797 CV 1
ASSI { 1270}
(( segid A and resid 300 and name HD2 ))
(( segid A and resid 329 and name HG3 ))
3.900 1.100 1.100 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.10384E-02 ppm1 3.295 ppm2 1.769 CV 1
ASSI { 1272}
(( segid A and resid 299 and name HA ))
(( segid A and resid 329 and name HG3 ))
3.300 1.000 1.000 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.11918E-02 ppm1 4.179 ppm2 1.767 CV 1
ASSI { 1273}
(( segid A and resid 312 and name HA ))
(( segid A and resid 312 and name HG2 ))
2.900 0.900 0.900 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.21588E-02 ppm1 4.434 ppm2 1.800 CV 1
ASSI { 1274}
(( segid A and resid 329 and name HE ))
(( segid A and resid 329 and name HG2 ))
3.400 1.000 1.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.90335E-03 ppm1 8.809 ppm2 1.167 CV 1
ASSI { 1277}
(( segid A and resid 329 and name HN ))
(( segid A and resid 329 and name HG3 ))
2.600 0.800 0.800 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.19258E-02 ppm1 8.561 ppm2 1.777 CV 1
ASSI { 1278}
(( segid A and resid 312 and name HN ))
(( segid A and resid 312 and name HG2 ))
4.700 1.200 1.200 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.54174E-03 ppm1 7.529 ppm2 1.798 CV 1
ASSI { 1279}
(( segid A and resid 330 and name HN ))
(( segid A and resid 329 and name HG3 ))
4.000 1.100 1.100 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.65102E-03 ppm1 7.194 ppm2 1.785 CV 1
ASSI { 1280}
(( segid A and resid 300 and name HA ))
(( segid A and resid 300 and name HG2 ))
4.300 1.200 1.200 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.86192E-03 ppm1 4.760 ppm2 1.267 CV 1
ASSI { 1281}
(( segid A and resid 299 and name HA ))
(( segid A and resid 300 and name HG2 ))
4.800 1.300 1.200 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.74676E-03 ppm1 4.169 ppm2 1.263 CV 1
ASSI { 1285}
(( segid A and resid 300 and name HB2 ))
(( segid A and resid 300 and name HG2 ))
2.400 0.800 0.800 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.43252E-02 ppm1 1.903 ppm2 1.263 CV 1
ASSI { 1286}
(( segid A and resid 300 and name HG3 ))
(( segid A and resid 300 and name HG2 ))
1.700 0.600 0.600 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.18638E-01 ppm1 1.659 ppm2 1.265 CV 1
ASSI { 1290}
(( segid A and resid 300 and name HB2 ))
(( segid A and resid 300 and name HG3 ))
2.900 0.900 0.900 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.54708E-02 ppm1 1.909 ppm2 1.663 CV 1
ASSI { 1294}
(( segid A and resid 301 and name HD2 ))
(( segid A and resid 300 and name HG3 ))
4.600 1.200 1.200 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.71384E-03 ppm1 3.925 ppm2 1.660 CV 1
ASSI { 1295}
(( segid A and resid 299 and name HA ))
(( segid A and resid 300 and name HG3 ))
4.600 1.200 1.200 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.67273E-03 ppm1 4.163 ppm2 1.662 CV 1
ASSI { 1296}
(( segid A and resid 300 and name HA ))
(( segid A and resid 300 and name HG3 ))
3.100 0.900 0.900 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.17137E-02 ppm1 4.756 ppm2 1.670 CV 1
ASSI { 1305}
(( segid A and resid 313 and name HN ))
(( segid A and resid 312 and name HG3 ))
4.400 1.200 1.200 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.89428E-03 ppm1 8.578 ppm2 1.694 CV 1
ASSI { 1307}
( segid A and resid 325 and name HD% )
(( segid A and resid 312 and name HG3 ))
4.200 4.200 1.800 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.51665E-03 ppm1 7.696 ppm2 1.685 CV 1
ASSI { 1315}
(( segid A and resid 321 and name HB2 ))
(( segid A and resid 321 and name HG2 ))
3.000 0.900 0.900 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.22697E-02 ppm1 1.779 ppm2 1.095 CV 1
ASSI { 1316}
(( segid A and resid 321 and name HG3 ))
(( segid A and resid 321 and name HG2 ))
2.100 0.700 0.700 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.68457E-02 ppm1 0.918 ppm2 1.105 CV 1
ASSI { 1317}
(( segid A and resid 321 and name HB3 ))
(( segid A and resid 321 and name HG2 ))
2.800 0.900 0.900 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.20110E-02 ppm1 0.727 ppm2 1.106 CV 1
ASSI { 1325}
( segid A and resid 330 and name HD1%)
(( segid A and resid 293 and name HG2 ))
3.200 0.900 0.900 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.88664E-03 ppm1 0.911 ppm2 2.022 CV 1
OR { 1325}
( segid A and resid 330 and name HD1%)
(( segid A and resid 293 and name HG3 ))
ASSI { 1326}
(( segid A and resid 299 and name HN ))
(( segid A and resid 298 and name HG2 ))
4.000 1.100 1.100 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.68910E-03 ppm1 8.677 ppm2 2.005 CV 1
ASSI { 1327}
(( segid A and resid 315 and name HN ))
( segid A and resid 325 and name HD% )
4.500 1.200 1.200 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.47732E-03 ppm1 9.086 ppm2 7.715 CV 1
ASSI { 1329}
(( segid A and resid 303 and name HE1 ))
(( segid A and resid 300 and name HD3 ))
5.100 1.300 0.900 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.48088E-03 ppm1 10.160 ppm2 2.769 CV 1
ASSI { 1330}
(( segid A and resid 303 and name HE1 ))
(( segid A and resid 300 and name HB3 ))
4.600 1.200 1.200 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.71438E-03 ppm1 10.160 ppm2 2.461 CV 1
ASSI { 1331}
(( segid A and resid 303 and name HE1 ))
(( segid A and resid 300 and name HB2 ))
3.600 1.000 1.000 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.14834E-02 ppm1 10.160 ppm2 1.903 CV 1
ASSI { 1332}
(( segid A and resid 303 and name HE1 ))
(( segid A and resid 300 and name HG3 ))
5.000 1.300 1.000 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.54032E-03 ppm1 10.160 ppm2 1.663 CV 1
ASSI { 1335}
(( segid A and resid 330 and name HB2 ))
(( segid A and resid 327 and name HN ))
4.000 4.000 2.000 peak 1335 spectrum 1 weight 0.11000E+01 volume 0.37677E-03 ppm1 1.585 ppm2 8.569 CV 1
ASSI { 1337}
(( segid A and resid 305 and name HN ))
(( segid A and resid 299 and name HG ))
4.500 1.200 1.200 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.51042E-03 ppm1 8.609 ppm2 1.806 CV 1
ASSI { 1338}
(( segid A and resid 332 and name HA ))
(( segid A and resid 333 and name HN ))
3.600 1.000 1.000 peak 1338 spectrum 1 weight 0.11000E+01 volume 0.85852E-03 ppm1 4.347 ppm2 7.932 CV 1
ASSI { 1340}
(( segid A and resid 314 and name HB2 ))
(( segid A and resid 314 and name HN ))
4.000 1.100 1.100 peak 1340 spectrum 1 weight 0.11000E+01 volume 0.59140E-03 ppm1 2.607 ppm2 8.896 CV 1
ASSI { 1341}
(( segid A and resid 312 and name HN ))
(( segid A and resid 307 and name HB3 ))
4.100 1.100 1.100 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.39937E-03 ppm1 7.519 ppm2 2.478 CV 1
OR { 1341}
(( segid A and resid 312 and name HN ))
(( segid A and resid 307 and name HB2 ))
ASSI { 1346}
(( segid A and resid 300 and name HB3 ))
(( segid A and resid 300 and name HA ))
2.200 0.700 0.700 peak 1346 spectrum 1 weight 0.11000E+01 volume 0.71801E-02 ppm1 2.461 ppm2 4.755 CV 1
ASSI { 1347}
(( segid A and resid 300 and name HA ))
(( segid A and resid 300 and name HB2 ))
2.900 0.900 0.900 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.36913E-02 ppm1 4.754 ppm2 1.907 CV 1
ASSI { 1}
( segid B and resid 211 and name HE% )
( segid B and resid 211 and name HD% )
1.900 1.900 4.100 peak 1 spectrum 1 weight 0.11000E+01 volume 0.12721E-01 ppm1 6.382 ppm2 6.642 CV 1
ASSI { 3}
( segid B and resid 211 and name HD% )
(( segid B and resid 212 and name HA ))
3.500 1.000 1.000 peak 3 spectrum 1 weight 0.11000E+01 volume 0.10377E-02 ppm1 6.641 ppm2 4.007 CV 1
ASSI { 4}
( segid B and resid 211 and name HE% )
(( segid B and resid 213 and name HD2 ))
3.800 3.800 2.200 peak 4 spectrum 1 weight 0.11000E+01 volume 0.12228E-02 ppm1 6.382 ppm2 3.033 CV 1
ASSI { 5}
( segid B and resid 211 and name HE% )
(( segid B and resid 211 and name HB2 ))
3.600 1.000 1.000 peak 5 spectrum 1 weight 0.11000E+01 volume 0.14123E-02 ppm1 6.384 ppm2 2.539 CV 1
ASSI { 6}
(( segid A and resid 321 and name HA ))
( segid B and resid 211 and name HE% )
3.700 1.000 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.50264E-03 ppm1 2.273 ppm2 6.387 CV 1
ASSI { 9}
(( segid A and resid 321 and name HG3 ))
( segid B and resid 211 and name HE% )
3.800 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.63628E-03 ppm1 0.886 ppm2 6.390 CV 1
ASSI { 12}
( segid B and resid 214 and name HE% )
( segid B and resid 214 and name HD% )
1.600 0.600 0.600 peak 12 spectrum 1 weight 0.11000E+01 volume 0.48225E-01 ppm1 6.771 ppm2 7.128 CV 1
ASSI { 13}
(( segid B and resid 214 and name HA ))
( segid B and resid 214 and name HE% )
4.000 1.100 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.12104E-02 ppm1 4.975 ppm2 6.777 CV 1
ASSI { 14}
( segid B and resid 214 and name HE% )
(( segid B and resid 214 and name HB2 ))
3.800 1.100 1.100 peak 14 spectrum 1 weight 0.11000E+01 volume 0.11743E-02 ppm1 6.770 ppm2 3.132 CV 1
ASSI { 15}
( segid B and resid 214 and name HE% )
(( segid B and resid 213 and name HD2 ))
3.200 0.900 0.900 peak 15 spectrum 1 weight 0.11000E+01 volume 0.10970E-02 ppm1 6.773 ppm2 2.949 CV 1
ASSI { 17}
(( segid B and resid 213 and name HB2 ))
( segid B and resid 214 and name HE% )
3.800 1.100 1.100 peak 17 spectrum 1 weight 0.10000E+01 volume 0.64653E-03 ppm1 1.754 ppm2 6.774 CV 1
ASSI { 18}
(( segid B and resid 213 and name HB3 ))
( segid B and resid 214 and name HE% )
3.300 1.000 1.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.76130E-03 ppm1 1.498 ppm2 6.773 CV 1
ASSI { 25}
( segid B and resid 214 and name HD% )
(( segid B and resid 215 and name HD3 ))
3.600 1.000 1.000 peak 25 spectrum 1 weight 0.11000E+01 volume 0.16606E-02 ppm1 7.132 ppm2 3.796 CV 1
ASSI { 26}
( segid B and resid 214 and name HD% )
(( segid B and resid 214 and name HB2 ))
2.400 0.800 0.800 peak 26 spectrum 1 weight 0.11000E+01 volume 0.45936E-02 ppm1 7.130 ppm2 3.139 CV 1
ASSI { 27}
( segid B and resid 214 and name HD% )
(( segid B and resid 214 and name HB3 ))
2.500 0.800 0.800 peak 27 spectrum 1 weight 0.11000E+01 volume 0.53298E-02 ppm1 7.128 ppm2 2.605 CV 1
ASSI { 28}
( segid B and resid 214 and name HD% )
(( segid B and resid 213 and name HB3 ))
3.000 0.900 0.900 peak 28 spectrum 1 weight 0.11000E+01 volume 0.10667E-02 ppm1 7.129 ppm2 1.499 CV 1
ASSI { 29}
( segid B and resid 214 and name HD% )
(( segid B and resid 213 and name HD2 ))
4.200 1.100 1.100 peak 29 spectrum 1 weight 0.11000E+01 volume 0.40766E-03 ppm1 7.133 ppm2 2.923 CV 1
ASSI { 31}
( segid B and resid 214 and name HD% )
(( segid B and resid 213 and name HB2 ))
4.000 1.100 1.100 peak 31 spectrum 1 weight 0.11000E+01 volume 0.50939E-03 ppm1 7.137 ppm2 1.761 CV 1
ASSI { 40}
( segid B and resid 211 and name HD% )
(( segid B and resid 211 and name HB2 ))
2.400 0.800 0.800 peak 40 spectrum 1 weight 0.11000E+01 volume 0.69323E-02 ppm1 6.642 ppm2 2.536 CV 1
ASSI { 47}
(( segid B and resid 204 and name HB3 ))
(( segid B and resid 204 and name HA ))
2.500 0.800 0.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.71101E-02 ppm1 1.605 ppm2 4.289 CV 1
OR { 47}
(( segid B and resid 204 and name HB2 ))
(( segid B and resid 204 and name HA ))
ASSI { 48}
(( segid B and resid 204 and name HA ))
( segid B and resid 204 and name HD2%)
2.800 0.900 0.900 peak 48 spectrum 1 weight 0.11000E+01 volume 0.51051E-02 ppm1 4.289 ppm2 0.846 CV 1
ASSI { 51}
(( segid B and resid 216 and name HA ))
(( segid B and resid 216 and name HB2 ))
2.700 0.800 0.800 peak 51 spectrum 1 weight 0.11000E+01 volume 0.37932E-02 ppm1 4.546 ppm2 2.153 CV 1
ASSI { 52}
(( segid B and resid 216 and name HA ))
(( segid B and resid 216 and name HB3 ))
3.000 0.900 0.900 peak 52 spectrum 1 weight 0.11000E+01 volume 0.22397E-02 ppm1 4.548 ppm2 1.935 CV 1
ASSI { 53}
(( segid B and resid 217 and name HA ))
(( segid B and resid 217 and name HN ))
3.100 0.900 0.900 peak 53 spectrum 1 weight 0.11000E+01 volume 0.16965E-02 ppm1 4.358 ppm2 7.884 CV 1
ASSI { 54}
(( segid B and resid 217 and name HA ))
(( segid B and resid 217 and name HB3 ))
2.700 0.800 0.800 peak 54 spectrum 1 weight 0.11000E+01 volume 0.39388E-02 ppm1 4.366 ppm2 2.697 CV 1
ASSI { 55}
(( segid B and resid 217 and name HA ))
(( segid B and resid 217 and name HB2 ))
3.000 0.900 0.900 peak 55 spectrum 1 weight 0.11000E+01 volume 0.24411E-02 ppm1 4.368 ppm2 2.564 CV 1
ASSI { 56}
(( segid B and resid 209 and name HB3 ))
(( segid B and resid 217 and name HA ))
2.800 2.800 3.200 peak 56 spectrum 1 weight 0.10000E+01 volume 0.28788E-02 ppm1 2.256 ppm2 4.348 CV 1
ASSI { 57}
(( segid B and resid 205 and name HA ))
(( segid B and resid 205 and name HB2 ))
2.600 0.800 0.800 peak 57 spectrum 1 weight 0.11000E+01 volume 0.48416E-02 ppm1 4.337 ppm2 2.076 CV 1
ASSI { 58}
(( segid B and resid 205 and name HA ))
(( segid B and resid 205 and name HB3 ))
2.900 0.900 0.900 peak 58 spectrum 1 weight 0.11000E+01 volume 0.32196E-02 ppm1 4.343 ppm2 1.963 CV 1
ASSI { 59}
(( segid B and resid 204 and name HN ))
(( segid B and resid 203 and name HA ))
3.300 1.000 1.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.13298E-02 ppm1 8.139 ppm2 4.269 CV 1
ASSI { 60}
(( segid B and resid 203 and name HG2 ))
(( segid B and resid 203 and name HA ))
3.100 0.900 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.23957E-02 ppm1 2.276 ppm2 4.273 CV 1
OR { 60}
(( segid B and resid 203 and name HG3 ))
(( segid B and resid 203 and name HA ))
ASSI { 61}
(( segid B and resid 203 and name HB2 ))
(( segid B and resid 203 and name HA ))
2.700 0.800 0.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.40854E-02 ppm1 2.032 ppm2 4.269 CV 1
ASSI { 63}
(( segid B and resid 212 and name HA ))
( segid B and resid 211 and name HE% )
3.600 3.600 2.400 peak 63 spectrum 1 weight 0.11000E+01 volume 0.81905E-03 ppm1 4.012 ppm2 6.369 CV 1
ASSI { 64}
(( segid B and resid 212 and name HA ))
(( segid B and resid 212 and name HN ))
3.500 3.500 2.500 peak 64 spectrum 1 weight 0.11000E+01 volume 0.83281E-03 ppm1 4.015 ppm2 5.924 CV 1
ASSI { 65}
(( segid B and resid 212 and name HA ))
(( segid B and resid 212 and name HB2 ))
2.600 0.800 0.800 peak 65 spectrum 1 weight 0.11000E+01 volume 0.59435E-02 ppm1 4.017 ppm2 3.819 CV 1
ASSI { 66}
(( segid B and resid 212 and name HA ))
(( segid B and resid 212 and name HB3 ))
2.500 0.800 0.800 peak 66 spectrum 1 weight 0.11000E+01 volume 0.63272E-02 ppm1 4.016 ppm2 3.585 CV 1
ASSI { 67}
(( segid B and resid 202 and name HB2 ))
(( segid B and resid 202 and name HA ))
2.800 0.900 0.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.38696E-02 ppm1 3.902 ppm2 4.445 CV 1
ASSI { 68}
(( segid B and resid 213 and name HA ))
(( segid B and resid 214 and name HN ))
3.500 1.000 1.000 peak 68 spectrum 1 weight 0.11000E+01 volume 0.87515E-03 ppm1 3.953 ppm2 8.140 CV 1
ASSI { 70}
(( segid B and resid 213 and name HA ))
( segid B and resid 211 and name HE% )
3.500 3.500 2.500 peak 70 spectrum 1 weight 0.11000E+01 volume 0.83463E-03 ppm1 3.952 ppm2 6.376 CV 1
ASSI { 71}
(( segid B and resid 213 and name HA ))
(( segid B and resid 213 and name HD2 ))
2.900 0.900 0.900 peak 71 spectrum 1 weight 0.11000E+01 volume 0.53710E-02 ppm1 3.953 ppm2 2.956 CV 1
ASSI { 72}
(( segid B and resid 213 and name HA ))
(( segid B and resid 213 and name HB2 ))
2.600 0.800 0.800 peak 72 spectrum 1 weight 0.11000E+01 volume 0.53368E-02 ppm1 3.953 ppm2 1.763 CV 1
ASSI { 73}
(( segid B and resid 213 and name HA ))
(( segid B and resid 213 and name HB3 ))
2.600 0.800 0.800 peak 73 spectrum 1 weight 0.11000E+01 volume 0.32948E-02 ppm1 3.954 ppm2 1.497 CV 1
ASSI { 74}
(( segid B and resid 213 and name HA ))
(( segid B and resid 213 and name HG2 ))
2.900 0.900 0.900 peak 74 spectrum 1 weight 0.11000E+01 volume 0.15489E-02 ppm1 3.953 ppm2 1.140 CV 1
ASSI { 75}
(( segid B and resid 213 and name HA ))
(( segid B and resid 213 and name HG3 ))
3.600 1.000 1.000 peak 75 spectrum 1 weight 0.11000E+01 volume 0.19103E-02 ppm1 3.951 ppm2 0.792 CV 1
ASSI { 77}
(( segid B and resid 208 and name HA ))
(( segid B and resid 208 and name HD2 ))
3.400 1.000 1.000 peak 77 spectrum 1 weight 0.11000E+01 volume 0.10738E-02 ppm1 4.109 ppm2 3.589 CV 1
ASSI { 78}
(( segid B and resid 208 and name HA ))
(( segid B and resid 208 and name HD3 ))
3.200 0.900 0.900 peak 78 spectrum 1 weight 0.11000E+01 volume 0.88029E-03 ppm1 4.101 ppm2 3.430 CV 1
ASSI { 79}
(( segid B and resid 208 and name HA ))
(( segid B and resid 209 and name HD2 ))
1.800 0.700 0.700 peak 79 spectrum 1 weight 0.11000E+01 volume 0.90297E-02 ppm1 4.105 ppm2 3.035 CV 1
ASSI { 80}
(( segid B and resid 209 and name HD3 ))
(( segid B and resid 208 and name HA ))
2.800 0.900 0.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.53098E-02 ppm1 1.596 ppm2 4.104 CV 1
OR { 80}
(( segid B and resid 209 and name HG2 ))
(( segid B and resid 208 and name HA ))
ASSI { 82}
(( segid B and resid 208 and name HA ))
(( segid B and resid 208 and name HG3 ))
3.400 1.000 1.000 peak 82 spectrum 1 weight 0.11000E+01 volume 0.95362E-03 ppm1 4.110 ppm2 1.092 CV 1
ASSI { 83}
(( segid B and resid 208 and name HA ))
(( segid B and resid 208 and name HB2 ))
2.600 0.800 0.800 peak 83 spectrum 1 weight 0.11000E+01 volume 0.41210E-02 ppm1 4.104 ppm2 1.233 CV 1
ASSI { 84}
(( segid B and resid 208 and name HA ))
(( segid B and resid 208 and name HB3 ))
2.200 0.700 0.700 peak 84 spectrum 1 weight 0.11000E+01 volume 0.37849E-02 ppm1 4.105 ppm2 0.672 CV 1
ASSI { 85}
(( segid B and resid 209 and name HB2 ))
(( segid B and resid 209 and name HA ))
2.900 0.900 0.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.41588E-02 ppm1 1.267 ppm2 4.358 CV 1
ASSI { 86}
(( segid B and resid 209 and name HA ))
(( segid B and resid 209 and name HG2 ))
3.400 1.000 1.000 peak 86 spectrum 1 weight 0.11000E+01 volume 0.27426E-02 ppm1 4.355 ppm2 1.592 CV 1
ASSI { 87}
(( segid B and resid 210 and name HB3 ))
(( segid B and resid 209 and name HA ))
4.100 1.100 1.100 peak 87 spectrum 1 weight 0.10000E+01 volume 0.68470E-03 ppm1 1.806 ppm2 4.345 CV 1
ASSI { 88}
(( segid B and resid 210 and name HG2 ))
(( segid B and resid 209 and name HA ))
3.900 1.100 1.100 peak 88 spectrum 1 weight 0.10000E+01 volume 0.21517E-02 ppm1 1.928 ppm2 4.352 CV 1
OR { 88}
(( segid B and resid 210 and name HG3 ))
(( segid B and resid 209 and name HA ))
ASSI { 89}
(( segid B and resid 209 and name HA ))
(( segid B and resid 209 and name HB3 ))
2.200 0.700 0.700 peak 89 spectrum 1 weight 0.11000E+01 volume 0.82246E-02 ppm1 4.355 ppm2 2.237 CV 1
ASSI { 90}
(( segid B and resid 209 and name HA ))
(( segid B and resid 210 and name HD3 ))
2.200 0.700 0.700 peak 90 spectrum 1 weight 0.11000E+01 volume 0.91552E-02 ppm1 4.356 ppm2 3.454 CV 1
ASSI { 91}
(( segid B and resid 209 and name HA ))
(( segid B and resid 210 and name HD2 ))
2.800 0.900 0.900 peak 91 spectrum 1 weight 0.11000E+01 volume 0.11934E-01 ppm1 4.354 ppm2 3.684 CV 1
ASSI { 92}
(( segid B and resid 211 and name HA ))
( segid B and resid 211 and name HD% )
2.700 0.800 0.800 peak 92 spectrum 1 weight 0.11000E+01 volume 0.23419E-02 ppm1 3.431 ppm2 6.646 CV 1
ASSI { 93}
(( segid B and resid 211 and name HA ))
(( segid B and resid 212 and name HA ))
3.700 3.700 2.300 peak 93 spectrum 1 weight 0.11000E+01 volume 0.15168E-02 ppm1 3.429 ppm2 5.901 CV 1
ASSI { 94}
(( segid B and resid 211 and name HA ))
(( segid B and resid 211 and name HB2 ))
2.600 0.800 0.800 peak 94 spectrum 1 weight 0.11000E+01 volume 0.31374E-02 ppm1 3.432 ppm2 2.539 CV 1
ASSI { 97}
(( segid B and resid 210 and name HA ))
(( segid B and resid 211 and name HN ))
2.900 0.900 0.900 peak 97 spectrum 1 weight 0.11000E+01 volume 0.23636E-02 ppm1 4.323 ppm2 8.830 CV 1
ASSI { 98}
(( segid B and resid 210 and name HA ))
(( segid B and resid 210 and name HD2 ))
3.100 0.900 0.900 peak 98 spectrum 1 weight 0.11000E+01 volume 0.23391E-02 ppm1 4.328 ppm2 3.671 CV 1
ASSI { 99}
(( segid B and resid 210 and name HA ))
(( segid B and resid 210 and name HD3 ))
3.200 0.900 0.900 peak 99 spectrum 1 weight 0.11000E+01 volume 0.19766E-02 ppm1 4.324 ppm2 3.455 CV 1
ASSI { 100}
(( segid B and resid 210 and name HA ))
(( segid B and resid 211 and name HB2 ))
3.800 1.100 1.100 peak 100 spectrum 1 weight 0.11000E+01 volume 0.19144E-02 ppm1 4.323 ppm2 2.536 CV 1
ASSI { 101}
(( segid B and resid 210 and name HA ))
(( segid B and resid 210 and name HB2 ))
2.400 0.800 0.800 peak 101 spectrum 1 weight 0.11000E+01 volume 0.10968E-01 ppm1 4.324 ppm2 2.272 CV 1
ASSI { 102}
(( segid B and resid 210 and name HG2 ))
(( segid B and resid 210 and name HA ))
3.300 1.000 1.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.40575E-02 ppm1 1.945 ppm2 4.325 CV 1
OR { 102}
(( segid B and resid 210 and name HG3 ))
(( segid B and resid 210 and name HA ))
ASSI { 103}
(( segid B and resid 210 and name HA ))
(( segid B and resid 210 and name HB3 ))
2.400 0.800 0.800 peak 103 spectrum 1 weight 0.11000E+01 volume 0.52022E-02 ppm1 4.327 ppm2 1.813 CV 1
ASSI { 104}
(( segid B and resid 210 and name HA ))
(( segid B and resid 209 and name HG3 ))
3.900 3.900 2.100 peak 104 spectrum 1 weight 0.11000E+01 volume 0.12218E-02 ppm1 4.325 ppm2 1.196 CV 1
ASSI { 106}
(( segid B and resid 215 and name HA ))
(( segid B and resid 217 and name HN ))
4.300 1.200 1.200 peak 106 spectrum 1 weight 0.11000E+01 volume 0.57459E-03 ppm1 4.231 ppm2 7.882 CV 1
ASSI { 107}
(( segid B and resid 214 and name HA ))
(( segid B and resid 215 and name HA ))
3.500 1.000 1.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.10989E-02 ppm1 4.979 ppm2 4.234 CV 1
ASSI { 108}
(( segid B and resid 216 and name HA ))
(( segid B and resid 215 and name HA ))
4.000 1.100 1.100 peak 108 spectrum 1 weight 0.10000E+01 volume 0.71916E-03 ppm1 4.561 ppm2 4.234 CV 1
ASSI { 110}
(( segid B and resid 215 and name HA ))
(( segid B and resid 215 and name HB2 ))
2.400 0.800 0.800 peak 110 spectrum 1 weight 0.11000E+01 volume 0.89269E-02 ppm1 4.233 ppm2 2.206 CV 1
ASSI { 111}
(( segid B and resid 215 and name HA ))
(( segid B and resid 215 and name HB3 ))
2.300 0.800 0.800 peak 111 spectrum 1 weight 0.11000E+01 volume 0.52365E-02 ppm1 4.233 ppm2 2.027 CV 1
ASSI { 113}
(( segid B and resid 202 and name HB3 ))
(( segid B and resid 202 and name HA ))
2.900 0.900 0.900 peak 113 spectrum 1 weight 0.11000E+01 volume 0.28105E-02 ppm1 3.841 ppm2 4.442 CV 1
ASSI { 114}
(( segid B and resid 212 and name HB2 ))
(( segid B and resid 212 and name HB3 ))
1.700 0.600 0.600 peak 114 spectrum 1 weight 0.11000E+01 volume 0.23596E-01 ppm1 3.820 ppm2 3.584 CV 1
ASSI { 118}
(( segid B and resid 214 and name HA ))
( segid B and resid 214 and name HD% )
2.500 0.800 0.800 peak 118 spectrum 1 weight 0.11000E+01 volume 0.46850E-02 ppm1 4.982 ppm2 7.127 CV 1
ASSI { 119}
(( segid B and resid 214 and name HA ))
(( segid B and resid 215 and name HD2 ))
2.800 0.900 0.900 peak 119 spectrum 1 weight 0.11000E+01 volume 0.87409E-02 ppm1 4.984 ppm2 3.888 CV 1
ASSI { 120}
(( segid B and resid 214 and name HA ))
(( segid B and resid 214 and name HB3 ))
2.600 0.800 0.800 peak 120 spectrum 1 weight 0.11000E+01 volume 0.31097E-02 ppm1 4.982 ppm2 2.599 CV 1
ASSI { 121}
(( segid B and resid 199 and name HA ))
(( segid B and resid 199 and name HB2 ))
3.400 1.000 1.000 peak 121 spectrum 1 weight 0.11000E+01 volume 0.15924E-02 ppm1 4.468 ppm2 2.317 CV 1
ASSI { 122}
(( segid B and resid 199 and name HA ))
(( segid B and resid 199 and name HB3 ))
3.300 1.000 1.000 peak 122 spectrum 1 weight 0.11000E+01 volume 0.95687E-03 ppm1 4.466 ppm2 1.954 CV 1
ASSI { 125}
(( segid B and resid 210 and name HB3 ))
(( segid B and resid 210 and name HD2 ))
3.700 1.000 1.000 peak 125 spectrum 1 weight 0.11000E+01 volume 0.17606E-02 ppm1 1.813 ppm2 3.687 CV 1
ASSI { 126}
(( segid B and resid 210 and name HB3 ))
(( segid B and resid 210 and name HD3 ))
3.200 0.900 0.900 peak 126 spectrum 1 weight 0.11000E+01 volume 0.22937E-02 ppm1 1.816 ppm2 3.459 CV 1
ASSI { 129}
(( segid B and resid 210 and name HB2 ))
(( segid B and resid 210 and name HB3 ))
1.700 0.600 0.600 peak 129 spectrum 1 weight 0.11000E+01 volume 0.19955E-01 ppm1 2.271 ppm2 1.814 CV 1
ASSI { 131}
(( segid B and resid 211 and name HN ))
(( segid B and resid 210 and name HB2 ))
3.500 3.500 2.500 peak 131 spectrum 1 weight 0.10000E+01 volume 0.56993E-03 ppm1 8.867 ppm2 2.268 CV 1
ASSI { 132}
(( segid B and resid 211 and name HN ))
(( segid B and resid 210 and name HB3 ))
4.500 1.200 1.200 peak 132 spectrum 1 weight 0.10000E+01 volume 0.48728E-03 ppm1 8.838 ppm2 1.818 CV 1
ASSI { 135}
(( segid B and resid 215 and name HB2 ))
(( segid B and resid 215 and name HD2 ))
3.500 1.000 1.000 peak 135 spectrum 1 weight 0.11000E+01 volume 0.15715E-02 ppm1 2.210 ppm2 3.892 CV 1
ASSI { 136}
(( segid B and resid 215 and name HB2 ))
(( segid B and resid 215 and name HD3 ))
3.900 1.100 1.100 peak 136 spectrum 1 weight 0.11000E+01 volume 0.16166E-02 ppm1 2.216 ppm2 3.786 CV 1
ASSI { 137}
(( segid B and resid 215 and name HB3 ))
(( segid B and resid 215 and name HD2 ))
3.800 1.100 1.100 peak 137 spectrum 1 weight 0.11000E+01 volume 0.15426E-02 ppm1 2.046 ppm2 3.900 CV 1
ASSI { 138}
(( segid B and resid 215 and name HB3 ))
(( segid B and resid 215 and name HD3 ))
3.400 1.000 1.000 peak 138 spectrum 1 weight 0.11000E+01 volume 0.17466E-02 ppm1 2.045 ppm2 3.789 CV 1
ASSI { 141}
(( segid B and resid 209 and name HB3 ))
(( segid B and resid 209 and name HB2 ))
1.700 0.600 0.600 peak 141 spectrum 1 weight 0.11000E+01 volume 0.15894E-01 ppm1 2.234 ppm2 1.269 CV 1
ASSI { 142}
(( segid B and resid 209 and name HB3 ))
(( segid B and resid 209 and name HG2 ))
2.800 0.900 0.900 peak 142 spectrum 1 weight 0.11000E+01 volume 0.55636E-02 ppm1 2.233 ppm2 1.595 CV 1
ASSI { 143}
(( segid B and resid 209 and name HB2 ))
(( segid B and resid 209 and name HG2 ))
2.200 0.700 0.700 peak 143 spectrum 1 weight 0.11000E+01 volume 0.52716E-02 ppm1 1.272 ppm2 1.595 CV 1
ASSI { 145}
(( segid B and resid 209 and name HB3 ))
(( segid B and resid 209 and name HD2 ))
4.000 1.100 1.100 peak 145 spectrum 1 weight 0.11000E+01 volume 0.93450E-03 ppm1 2.236 ppm2 3.030 CV 1
ASSI { 146}
(( segid B and resid 209 and name HB3 ))
(( segid B and resid 210 and name HD3 ))
2.700 0.800 0.800 peak 146 spectrum 1 weight 0.11000E+01 volume 0.33099E-02 ppm1 2.230 ppm2 3.459 CV 1
ASSI { 147}
(( segid B and resid 209 and name HB3 ))
(( segid B and resid 210 and name HD2 ))
3.300 1.000 1.000 peak 147 spectrum 1 weight 0.11000E+01 volume 0.20406E-02 ppm1 2.232 ppm2 3.685 CV 1
ASSI { 152}
(( segid B and resid 209 and name HB2 ))
(( segid B and resid 209 and name HD2 ))
3.900 1.100 1.100 peak 152 spectrum 1 weight 0.11000E+01 volume 0.98386E-03 ppm1 1.270 ppm2 3.035 CV 1
ASSI { 153}
(( segid B and resid 208 and name HA ))
(( segid B and resid 209 and name HB2 ))
4.800 1.300 1.200 peak 153 spectrum 1 weight 0.10000E+01 volume 0.55759E-03 ppm1 4.113 ppm2 1.267 CV 1
ASSI { 154}
( segid A and resid 314 and name HE% )
(( segid B and resid 209 and name HB2 ))
3.700 1.000 1.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.53384E-03 ppm1 6.329 ppm2 1.270 CV 1
ASSI { 156}
(( segid B and resid 216 and name HB3 ))
(( segid B and resid 216 and name HN ))
3.700 1.000 1.000 peak 156 spectrum 1 weight 0.11000E+01 volume 0.56876E-03 ppm1 1.937 ppm2 8.556 CV 1
ASSI { 157}
(( segid B and resid 216 and name HG3 ))
(( segid B and resid 216 and name HB3 ))
3.400 3.400 2.600 peak 157 spectrum 1 weight 0.10000E+01 volume 0.10930E-02 ppm1 2.568 ppm2 1.940 CV 1
OR { 157}
(( segid B and resid 216 and name HG2 ))
(( segid B and resid 216 and name HB3 ))
ASSI { 159}
(( segid B and resid 216 and name HB3 ))
(( segid B and resid 216 and name HB2 ))
1.800 0.700 0.700 peak 159 spectrum 1 weight 0.11000E+01 volume 0.20868E-01 ppm1 1.939 ppm2 2.152 CV 1
ASSI { 161}
(( segid B and resid 216 and name HG2 ))
(( segid B and resid 216 and name HB2 ))
3.100 0.900 0.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.16770E-02 ppm1 2.556 ppm2 2.160 CV 1
OR { 161}
(( segid B and resid 216 and name HG3 ))
(( segid B and resid 216 and name HB2 ))
ASSI { 162}
(( segid B and resid 204 and name HN ))
(( segid B and resid 203 and name HG3 ))
4.000 4.000 2.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.61719E-03 ppm1 8.163 ppm2 2.267 CV 1
OR { 162}
(( segid B and resid 204 and name HN ))
(( segid B and resid 203 and name HG2 ))
ASSI { 163}
(( segid B and resid 205 and name HG2 ))
(( segid B and resid 205 and name HA ))
3.100 0.900 0.900 peak 163 spectrum 1 weight 0.11000E+01 volume 0.27956E-02 ppm1 2.261 ppm2 4.309 CV 1
ASSI { 164}
(( segid B and resid 205 and name HG2 ))
(( segid B and resid 205 and name HB2 ))
2.200 0.700 0.700 peak 164 spectrum 1 weight 0.11000E+01 volume 0.21202E-01 ppm1 2.264 ppm2 2.063 CV 1
ASSI { 165}
(( segid B and resid 203 and name HG2 ))
(( segid B and resid 203 and name HB3 ))
2.000 0.700 0.700 peak 165 spectrum 1 weight 0.11000E+01 volume 0.24911E-01 ppm1 2.277 ppm2 1.971 CV 1
ASSI { 166}
(( segid B and resid 214 and name HB3 ))
(( segid B and resid 214 and name HN ))
3.500 1.000 1.000 peak 166 spectrum 1 weight 0.11000E+01 volume 0.19808E-02 ppm1 2.610 ppm2 8.147 CV 1
ASSI { 167}
(( segid B and resid 214 and name HB2 ))
(( segid B and resid 214 and name HN ))
3.100 0.900 0.900 peak 167 spectrum 1 weight 0.11000E+01 volume 0.13666E-02 ppm1 3.140 ppm2 8.153 CV 1
ASSI { 170}
(( segid B and resid 214 and name HB3 ))
( segid B and resid 214 and name HE% )
4.000 1.100 1.100 peak 170 spectrum 1 weight 0.11000E+01 volume 0.80900E-03 ppm1 2.610 ppm2 6.768 CV 1
ASSI { 173}
(( segid B and resid 214 and name HB2 ))
(( segid B and resid 214 and name HA ))
2.900 0.900 0.900 peak 173 spectrum 1 weight 0.11000E+01 volume 0.48812E-02 ppm1 3.134 ppm2 4.980 CV 1
ASSI { 174}
(( segid B and resid 214 and name HB2 ))
(( segid B and resid 215 and name HD2 ))
3.200 0.900 0.900 peak 174 spectrum 1 weight 0.11000E+01 volume 0.26203E-02 ppm1 3.138 ppm2 3.892 CV 1
ASSI { 175}
(( segid B and resid 214 and name HB2 ))
(( segid B and resid 215 and name HD3 ))
3.300 1.000 1.000 peak 175 spectrum 1 weight 0.11000E+01 volume 0.42410E-02 ppm1 3.139 ppm2 3.789 CV 1
ASSI { 176}
(( segid B and resid 214 and name HB3 ))
(( segid B and resid 215 and name HD3 ))
2.900 2.900 3.100 peak 176 spectrum 1 weight 0.11000E+01 volume 0.22958E-02 ppm1 2.610 ppm2 3.789 CV 1
ASSI { 177}
(( segid B and resid 214 and name HB3 ))
(( segid B and resid 215 and name HD2 ))
2.800 0.900 0.900 peak 177 spectrum 1 weight 0.11000E+01 volume 0.13582E-02 ppm1 2.608 ppm2 3.887 CV 1
ASSI { 178}
(( segid B and resid 214 and name HB3 ))
(( segid B and resid 214 and name HB2 ))
1.700 0.600 0.600 peak 178 spectrum 1 weight 0.11000E+01 volume 0.19856E-01 ppm1 2.611 ppm2 3.138 CV 1
ASSI { 180}
(( segid B and resid 214 and name HB2 ))
(( segid B and resid 215 and name HG2 ))
4.800 1.300 1.200 peak 180 spectrum 1 weight 0.11000E+01 volume 0.75548E-03 ppm1 3.140 ppm2 2.193 CV 1
ASSI { 181}
(( segid B and resid 214 and name HB2 ))
(( segid B and resid 215 and name HG3 ))
5.300 1.400 0.700 peak 181 spectrum 1 weight 0.11000E+01 volume 0.55224E-03 ppm1 3.144 ppm2 1.985 CV 1
ASSI { 182}
(( segid B and resid 211 and name HB2 ))
(( segid B and resid 211 and name HN ))
3.400 1.000 1.000 peak 182 spectrum 1 weight 0.11000E+01 volume 0.11203E-02 ppm1 2.527 ppm2 8.837 CV 1
ASSI { 187}
(( segid B and resid 211 and name HB2 ))
( segid A and resid 316 and name HG1%)
4.100 1.100 1.100 peak 187 spectrum 1 weight 0.11000E+01 volume 0.71963E-03 ppm1 2.524 ppm2 0.349 CV 1
ASSI { 188}
(( segid B and resid 216 and name HA ))
( segid B and resid 216 and name HE% )
3.600 1.000 1.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.11573E-02 ppm1 4.544 ppm2 2.092 CV 1
ASSI { 189}
(( segid B and resid 212 and name HB3 ))
( segid B and resid 216 and name HE% )
3.700 1.000 1.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.56923E-03 ppm1 3.581 ppm2 2.094 CV 1
ASSI { 192}
(( segid B and resid 204 and name HB2 ))
(( segid B and resid 204 and name HA ))
2.800 0.900 0.900 peak 192 spectrum 1 weight 0.11000E+01 volume 0.35435E-02 ppm1 1.616 ppm2 4.298 CV 1
ASSI { 193}
(( segid B and resid 204 and name HB2 ))
( segid B and resid 204 and name HD1%)
3.000 0.900 0.900 peak 193 spectrum 1 weight 0.11000E+01 volume 0.24448E-02 ppm1 1.610 ppm2 0.889 CV 1
ASSI { 199}
(( segid B and resid 213 and name HD2 ))
(( segid B and resid 213 and name HB2 ))
3.400 1.000 1.000 peak 199 spectrum 1 weight 0.11000E+01 volume 0.23813E-02 ppm1 2.955 ppm2 1.762 CV 1
ASSI { 200}
(( segid B and resid 213 and name HD2 ))
(( segid B and resid 213 and name HB3 ))
2.700 0.800 0.800 peak 200 spectrum 1 weight 0.11000E+01 volume 0.16188E-02 ppm1 2.951 ppm2 1.497 CV 1
ASSI { 201}
(( segid B and resid 213 and name HD2 ))
(( segid B and resid 213 and name HG2 ))
2.800 0.900 0.900 peak 201 spectrum 1 weight 0.11000E+01 volume 0.41050E-02 ppm1 2.952 ppm2 1.138 CV 1
ASSI { 202}
(( segid B and resid 213 and name HD2 ))
(( segid B and resid 213 and name HG3 ))
2.900 0.900 0.900 peak 202 spectrum 1 weight 0.11000E+01 volume 0.33297E-02 ppm1 2.957 ppm2 0.795 CV 1
ASSI { 205}
(( segid B and resid 217 and name HB3 ))
(( segid B and resid 217 and name HN ))
3.500 1.000 1.000 peak 205 spectrum 1 weight 0.11000E+01 volume 0.88233E-03 ppm1 2.697 ppm2 7.883 CV 1
ASSI { 208}
(( segid B and resid 217 and name HB2 ))
(( segid B and resid 217 and name HB3 ))
1.600 0.600 0.600 peak 208 spectrum 1 weight 0.11000E+01 volume 0.49437E-01 ppm1 2.561 ppm2 2.697 CV 1
ASSI { 210}
(( segid B and resid 203 and name HG3 ))
( segid B and resid 204 and name HD2%)
4.000 1.100 1.100 peak 210 spectrum 1 weight 0.10000E+01 volume 0.62720E-03 ppm1 2.270 ppm2 0.850 CV 1
OR { 210}
(( segid B and resid 203 and name HG2 ))
( segid B and resid 204 and name HD2%)
ASSI { 211}
( segid B and resid 204 and name HD2%)
(( segid B and resid 204 and name HB2 ))
2.600 0.800 0.800 peak 211 spectrum 1 weight 0.11000E+01 volume 0.73956E-02 ppm1 0.846 ppm2 1.597 CV 1
ASSI { 212}
(( segid B and resid 209 and name HD3 ))
(( segid B and resid 209 and name HA ))
3.500 1.000 1.000 peak 212 spectrum 1 weight 0.11000E+01 volume 0.62418E-03 ppm1 1.604 ppm2 4.344 CV 1
ASSI { 213}
(( segid B and resid 209 and name HD3 ))
(( segid B and resid 208 and name HA ))
3.200 0.900 0.900 peak 213 spectrum 1 weight 0.11000E+01 volume 0.17869E-02 ppm1 1.607 ppm2 4.106 CV 1
ASSI { 214}
(( segid B and resid 209 and name HD3 ))
(( segid B and resid 209 and name HD2 ))
2.100 0.700 0.700 peak 214 spectrum 1 weight 0.11000E+01 volume 0.36662E-02 ppm1 1.615 ppm2 3.033 CV 1
ASSI { 215}
(( segid B and resid 209 and name HD3 ))
(( segid B and resid 209 and name HB3 ))
3.300 1.000 1.000 peak 215 spectrum 1 weight 0.11000E+01 volume 0.77619E-03 ppm1 1.600 ppm2 2.240 CV 1
ASSI { 216}
(( segid B and resid 209 and name HG3 ))
(( segid B and resid 209 and name HD3 ))
2.700 0.800 0.800 peak 216 spectrum 1 weight 0.10000E+01 volume 0.24657E-02 ppm1 1.211 ppm2 1.609 CV 1
OR { 216}
(( segid B and resid 209 and name HB2 ))
(( segid B and resid 209 and name HD3 ))
ASSI { 219}
(( segid B and resid 209 and name HA ))
(( segid B and resid 209 and name HD2 ))
3.700 1.000 1.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.93548E-03 ppm1 4.345 ppm2 3.027 CV 1
ASSI { 222}
(( segid B and resid 209 and name HD3 ))
(( segid B and resid 209 and name HD2 ))
1.800 0.700 0.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.10386E-01 ppm1 1.599 ppm2 3.037 CV 1
OR { 222}
(( segid B and resid 209 and name HG2 ))
(( segid B and resid 209 and name HD2 ))
ASSI { 225}
(( segid B and resid 209 and name HD2 ))
(( segid B and resid 208 and name HB3 ))
3.500 1.000 1.000 peak 225 spectrum 1 weight 0.11000E+01 volume 0.89307E-03 ppm1 3.032 ppm2 0.661 CV 1
ASSI { 227}
( segid A and resid 325 and name HE% )
(( segid B and resid 208 and name HD2 ))
3.700 1.000 1.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.16064E-02 ppm1 7.168 ppm2 3.590 CV 1
ASSI { 231}
(( segid B and resid 208 and name HD3 ))
(( segid B and resid 208 and name HD2 ))
1.700 0.600 0.600 peak 231 spectrum 1 weight 0.11000E+01 volume 0.19182E-01 ppm1 3.417 ppm2 3.600 CV 1
ASSI { 232}
(( segid B and resid 208 and name HD2 ))
(( segid B and resid 207 and name HB2 ))
3.100 0.900 0.900 peak 232 spectrum 1 weight 0.11000E+01 volume 0.24033E-02 ppm1 3.596 ppm2 2.342 CV 1
ASSI { 233}
(( segid B and resid 199 and name HG2 ))
(( segid B and resid 199 and name HD2 ))
2.700 0.800 0.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.38661E-02 ppm1 1.988 ppm2 3.583 CV 1
OR { 233}
(( segid B and resid 199 and name HG3 ))
(( segid B and resid 199 and name HD3 ))
OR { 233}
(( segid B and resid 199 and name HG3 ))
(( segid B and resid 199 and name HD2 ))
OR { 233}
(( segid B and resid 199 and name HG2 ))
(( segid B and resid 199 and name HD3 ))
ASSI { 234}
(( segid B and resid 208 and name HD2 ))
(( segid B and resid 208 and name HG2 ))
2.600 0.800 0.800 peak 234 spectrum 1 weight 0.11000E+01 volume 0.26641E-02 ppm1 3.591 ppm2 1.537 CV 1
ASSI { 235}
(( segid B and resid 208 and name HB2 ))
(( segid B and resid 208 and name HD2 ))
3.700 1.000 1.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.11806E-02 ppm1 1.237 ppm2 3.590 CV 1
ASSI { 236}
(( segid B and resid 208 and name HD2 ))
(( segid B and resid 208 and name HG3 ))
3.000 0.900 0.900 peak 236 spectrum 1 weight 0.11000E+01 volume 0.30953E-02 ppm1 3.588 ppm2 1.083 CV 1
ASSI { 237}
(( segid B and resid 208 and name HB3 ))
(( segid B and resid 208 and name HD2 ))
4.300 1.200 1.200 peak 237 spectrum 1 weight 0.10000E+01 volume 0.71544E-03 ppm1 0.661 ppm2 3.595 CV 1
ASSI { 238}
(( segid B and resid 208 and name HB3 ))
(( segid B and resid 208 and name HD3 ))
4.200 4.200 1.800 peak 238 spectrum 1 weight 0.10000E+01 volume 0.45236E-03 ppm1 0.716 ppm2 3.429 CV 1
ASSI { 239}
(( segid B and resid 208 and name HD3 ))
(( segid B and resid 208 and name HG3 ))
2.400 0.800 0.800 peak 239 spectrum 1 weight 0.11000E+01 volume 0.27999E-02 ppm1 3.416 ppm2 1.082 CV 1
ASSI { 240}
(( segid B and resid 208 and name HD3 ))
(( segid B and resid 208 and name HG2 ))
3.000 0.900 0.900 peak 240 spectrum 1 weight 0.11000E+01 volume 0.33255E-02 ppm1 3.419 ppm2 1.541 CV 1
ASSI { 242}
(( segid B and resid 208 and name HD3 ))
(( segid B and resid 207 and name HB2 ))
2.500 0.800 0.800 peak 242 spectrum 1 weight 0.11000E+01 volume 0.32916E-02 ppm1 3.419 ppm2 2.353 CV 1
ASSI { 245}
(( segid B and resid 210 and name HD3 ))
(( segid B and resid 210 and name HD2 ))
1.600 0.600 0.600 peak 245 spectrum 1 weight 0.10000E+01 volume 0.24774E-01 ppm1 3.455 ppm2 3.691 CV 1
ASSI { 247}
(( segid B and resid 210 and name HD3 ))
(( segid B and resid 210 and name HB2 ))
3.300 1.000 1.000 peak 247 spectrum 1 weight 0.11000E+01 volume 0.48200E-02 ppm1 3.456 ppm2 2.242 CV 1
ASSI { 248}
(( segid B and resid 210 and name HD2 ))
(( segid B and resid 210 and name HB2 ))
3.100 0.900 0.900 peak 248 spectrum 1 weight 0.11000E+01 volume 0.40279E-02 ppm1 3.686 ppm2 2.241 CV 1
ASSI { 250}
(( segid B and resid 210 and name HG2 ))
(( segid B and resid 210 and name HD3 ))
2.300 0.800 0.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.88505E-02 ppm1 1.930 ppm2 3.451 CV 1
OR { 250}
(( segid B and resid 210 and name HG3 ))
(( segid B and resid 210 and name HD3 ))
ASSI { 253}
(( segid B and resid 209 and name HB2 ))
(( segid B and resid 210 and name HD2 ))
2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.15499E-02 ppm1 1.268 ppm2 3.686 CV 1
ASSI { 254}
(( segid B and resid 209 and name HB2 ))
(( segid B and resid 210 and name HD3 ))
3.200 0.900 0.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.18713E-02 ppm1 1.261 ppm2 3.454 CV 1
ASSI { 256}
(( segid B and resid 215 and name HD2 ))
( segid B and resid 214 and name HD% )
3.600 1.000 1.000 peak 256 spectrum 1 weight 0.11000E+01 volume 0.18192E-02 ppm1 3.897 ppm2 7.127 CV 1
ASSI { 257}
( segid B and resid 214 and name HE% )
(( segid B and resid 215 and name HD2 ))
3.300 3.300 2.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.64024E-03 ppm1 6.766 ppm2 3.904 CV 1
ASSI { 259}
(( segid B and resid 215 and name HD2 ))
(( segid B and resid 215 and name HA ))
3.700 1.000 1.000 peak 259 spectrum 1 weight 0.11000E+01 volume 0.82487E-03 ppm1 3.891 ppm2 4.224 CV 1
ASSI { 260}
(( segid B and resid 215 and name HD3 ))
(( segid B and resid 215 and name HA ))
3.600 1.000 1.000 peak 260 spectrum 1 weight 0.11000E+01 volume 0.80718E-03 ppm1 3.785 ppm2 4.217 CV 1
ASSI { 266}
(( segid B and resid 215 and name HD3 ))
(( segid B and resid 216 and name HB2 ))
3.000 3.000 3.000 peak 266 spectrum 1 weight 0.11000E+01 volume 0.53580E-02 ppm1 3.787 ppm2 2.195 CV 1
ASSI { 267}
(( segid B and resid 207 and name HB2 ))
(( segid B and resid 207 and name HD2 ))
3.000 0.900 0.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.20203E-02 ppm1 2.347 ppm2 3.842 CV 1
ASSI { 268}
(( segid B and resid 207 and name HB2 ))
(( segid B and resid 207 and name HD3 ))
3.700 1.000 1.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.19023E-02 ppm1 2.349 ppm2 3.707 CV 1
ASSI { 269}
(( segid B and resid 207 and name HG3 ))
(( segid B and resid 207 and name HD2 ))
2.300 0.800 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.84385E-02 ppm1 2.004 ppm2 3.845 CV 1
OR { 269}
(( segid B and resid 207 and name HG2 ))
(( segid B and resid 207 and name HD2 ))
ASSI { 270}
(( segid B and resid 207 and name HG2 ))
(( segid B and resid 207 and name HD3 ))
2.300 0.800 0.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.85534E-02 ppm1 2.001 ppm2 3.709 CV 1
OR { 270}
(( segid B and resid 207 and name HG3 ))
(( segid B and resid 207 and name HD3 ))
ASSI { 271}
(( segid B and resid 207 and name HD3 ))
(( segid B and resid 207 and name HD2 ))
1.600 0.600 0.600 peak 271 spectrum 1 weight 0.10000E+01 volume 0.34996E-01 ppm1 3.710 ppm2 3.842 CV 1
ASSI { 274}
(( segid B and resid 215 and name HD3 ))
(( segid B and resid 214 and name HA ))
2.300 0.800 0.800 peak 274 spectrum 1 weight 0.11000E+01 volume 0.67542E-02 ppm1 3.789 ppm2 4.982 CV 1
ASSI { 278}
(( segid A and resid 324 and name HA ))
(( segid B and resid 208 and name HG3 ))
3.000 0.900 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.21805E-02 ppm1 4.859 ppm2 1.085 CV 1
ASSI { 280}
(( segid B and resid 208 and name HA ))
(( segid B and resid 208 and name HG2 ))
3.800 1.100 1.100 peak 280 spectrum 1 weight 0.10000E+01 volume 0.96617E-03 ppm1 4.105 ppm2 1.541 CV 1
ASSI { 285}
(( segid B and resid 207 and name HG2 ))
(( segid B and resid 208 and name HG2 ))
4.600 1.200 1.200 peak 285 spectrum 1 weight 0.10000E+01 volume 0.74198E-03 ppm1 1.959 ppm2 1.544 CV 1
OR { 285}
(( segid B and resid 207 and name HB3 ))
(( segid B and resid 208 and name HG2 ))
OR { 285}
(( segid B and resid 207 and name HG3 ))
(( segid B and resid 208 and name HG2 ))
ASSI { 287}
(( segid B and resid 208 and name HG2 ))
(( segid B and resid 208 and name HG3 ))
1.800 0.700 0.700 peak 287 spectrum 1 weight 0.11000E+01 volume 0.91854E-02 ppm1 1.536 ppm2 1.081 CV 1
ASSI { 288}
(( segid B and resid 208 and name HB3 ))
(( segid B and resid 208 and name HG2 ))
3.500 1.000 1.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.10272E-02 ppm1 0.667 ppm2 1.541 CV 1
ASSI { 290}
(( segid B and resid 208 and name HB2 ))
(( segid B and resid 208 and name HG3 ))
3.100 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.21467E-02 ppm1 1.235 ppm2 1.080 CV 1
ASSI { 291}
(( segid B and resid 208 and name HB3 ))
(( segid B and resid 208 and name HG3 ))
2.600 0.800 0.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.13387E-02 ppm1 0.684 ppm2 1.073 CV 1
ASSI { 292}
(( segid B and resid 213 and name HG2 ))
( segid B and resid 214 and name HD% )
4.400 1.200 1.200 peak 292 spectrum 1 weight 0.11000E+01 volume 0.67540E-03 ppm1 1.133 ppm2 7.128 CV 1
ASSI { 293}
(( segid B and resid 213 and name HG2 ))
( segid B and resid 214 and name HE% )
4.200 1.100 1.100 peak 293 spectrum 1 weight 0.11000E+01 volume 0.73872E-03 ppm1 1.142 ppm2 6.769 CV 1
ASSI { 298}
(( segid B and resid 213 and name HG2 ))
(( segid B and resid 213 and name HB2 ))
3.000 0.900 0.900 peak 298 spectrum 1 weight 0.11000E+01 volume 0.27824E-02 ppm1 1.140 ppm2 1.763 CV 1
ASSI { 299}
(( segid B and resid 213 and name HG3 ))
(( segid B and resid 213 and name HB2 ))
2.800 0.900 0.900 peak 299 spectrum 1 weight 0.11000E+01 volume 0.17697E-02 ppm1 0.793 ppm2 1.759 CV 1
ASSI { 300}
(( segid B and resid 213 and name HG2 ))
(( segid B and resid 213 and name HB3 ))
2.800 0.900 0.900 peak 300 spectrum 1 weight 0.11000E+01 volume 0.34093E-02 ppm1 1.139 ppm2 1.502 CV 1
ASSI { 301}
(( segid B and resid 213 and name HG3 ))
(( segid B and resid 213 and name HB3 ))
3.200 0.900 0.900 peak 301 spectrum 1 weight 0.11000E+01 volume 0.19543E-02 ppm1 0.790 ppm2 1.493 CV 1
ASSI { 302}
(( segid B and resid 213 and name HG3 ))
(( segid B and resid 213 and name HG2 ))
1.800 0.700 0.700 peak 302 spectrum 1 weight 0.11000E+01 volume 0.11138E-01 ppm1 0.791 ppm2 1.137 CV 1
ASSI { 304}
(( segid B and resid 207 and name HG2 ))
(( segid B and resid 207 and name HD2 ))
2.300 0.800 0.800 peak 304 spectrum 1 weight 0.11000E+01 volume 0.56266E-02 ppm1 2.018 ppm2 3.838 CV 1
ASSI { 305}
(( segid B and resid 207 and name HG2 ))
(( segid B and resid 207 and name HD3 ))
2.600 0.800 0.800 peak 305 spectrum 1 weight 0.11000E+01 volume 0.61871E-02 ppm1 2.024 ppm2 3.707 CV 1
ASSI { 306}
(( segid B and resid 199 and name HG2 ))
(( segid B and resid 199 and name HD2 ))
2.700 0.800 0.800 peak 306 spectrum 1 weight 0.11000E+01 volume 0.25852E-02 ppm1 2.012 ppm2 3.557 CV 1
ASSI { 307}
(( segid B and resid 208 and name HD3 ))
(( segid B and resid 207 and name HG2 ))
3.700 1.000 1.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.11669E-02 ppm1 3.426 ppm2 2.023 CV 1
OR { 307}
(( segid B and resid 208 and name HD3 ))
(( segid B and resid 207 and name HG3 ))
ASSI { 310}
(( segid B and resid 210 and name HD2 ))
(( segid B and resid 210 and name HG3 ))
2.300 0.800 0.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.72399E-02 ppm1 3.693 ppm2 1.945 CV 1
OR { 310}
(( segid B and resid 210 and name HD2 ))
(( segid B and resid 210 and name HG2 ))
ASSI { 312}
(( segid B and resid 210 and name HB2 ))
(( segid B and resid 210 and name HG2 ))
2.200 0.700 0.700 peak 312 spectrum 1 weight 0.10000E+01 volume 0.12113E-01 ppm1 2.266 ppm2 1.932 CV 1
OR { 312}
(( segid B and resid 210 and name HB2 ))
(( segid B and resid 210 and name HG3 ))
ASSI { 316}
(( segid B and resid 208 and name HA ))
(( segid B and resid 209 and name HG2 ))
4.000 1.100 1.100 peak 316 spectrum 1 weight 0.10000E+01 volume 0.13068E-02 ppm1 4.108 ppm2 1.595 CV 1
ASSI { 317}
(( segid B and resid 208 and name HA ))
(( segid B and resid 209 and name HG3 ))
4.600 1.200 1.200 peak 317 spectrum 1 weight 0.10000E+01 volume 0.88165E-03 ppm1 4.073 ppm2 1.192 CV 1
ASSI { 318}
(( segid B and resid 209 and name HG3 ))
(( segid B and resid 209 and name HA ))
4.100 1.100 1.100 peak 318 spectrum 1 weight 0.11000E+01 volume 0.88747E-03 ppm1 1.184 ppm2 4.345 CV 1
ASSI { 319}
(( segid B and resid 209 and name HD2 ))
(( segid B and resid 209 and name HG3 ))
2.700 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.29994E-02 ppm1 3.035 ppm2 1.185 CV 1
ASSI { 320}
(( segid B and resid 209 and name HD2 ))
(( segid B and resid 209 and name HG2 ))
2.300 0.800 0.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.39250E-02 ppm1 3.034 ppm2 1.592 CV 1
ASSI { 322}
(( segid B and resid 209 and name HG3 ))
(( segid B and resid 209 and name HB3 ))
2.500 0.800 0.800 peak 322 spectrum 1 weight 0.11000E+01 volume 0.26834E-02 ppm1 1.183 ppm2 2.236 CV 1
ASSI { 323}
(( segid B and resid 209 and name HG3 ))
(( segid B and resid 209 and name HG2 ))
1.800 0.700 0.700 peak 323 spectrum 1 weight 0.11000E+01 volume 0.10289E-01 ppm1 1.188 ppm2 1.595 CV 1
ASSI { 329}
(( segid B and resid 208 and name HD3 ))
(( segid B and resid 208 and name HB2 ))
4.100 1.100 1.100 peak 329 spectrum 1 weight 0.10000E+01 volume 0.85330E-03 ppm1 3.419 ppm2 1.233 CV 1
ASSI { 333}
(( segid B and resid 208 and name HB2 ))
(( segid B and resid 208 and name HG2 ))
2.200 0.700 0.700 peak 333 spectrum 1 weight 0.11000E+01 volume 0.53913E-02 ppm1 1.229 ppm2 1.563 CV 1
ASSI { 338}
(( segid B and resid 208 and name HB3 ))
(( segid B and resid 208 and name HB2 ))
2.100 0.700 0.700 peak 338 spectrum 1 weight 0.11000E+01 volume 0.45028E-02 ppm1 0.674 ppm2 1.238 CV 1
ASSI { 340}
(( segid B and resid 214 and name HA ))
(( segid B and resid 215 and name HG2 ))
4.900 1.300 1.100 peak 340 spectrum 1 weight 0.10000E+01 volume 0.84793E-03 ppm1 4.981 ppm2 2.180 CV 1
ASSI { 341}
(( segid B and resid 214 and name HA ))
(( segid B and resid 215 and name HG3 ))
4.500 1.200 1.200 peak 341 spectrum 1 weight 0.10000E+01 volume 0.81346E-03 ppm1 4.975 ppm2 1.983 CV 1
ASSI { 342}
(( segid B and resid 215 and name HG2 ))
(( segid B and resid 215 and name HA ))
3.700 1.000 1.000 peak 342 spectrum 1 weight 0.11000E+01 volume 0.15720E-02 ppm1 2.180 ppm2 4.227 CV 1
ASSI { 343}
(( segid B and resid 215 and name HG3 ))
(( segid B and resid 215 and name HA ))
3.600 1.000 1.000 peak 343 spectrum 1 weight 0.11000E+01 volume 0.15873E-02 ppm1 1.977 ppm2 4.233 CV 1
ASSI { 344}
(( segid B and resid 215 and name HD2 ))
(( segid B and resid 215 and name HG2 ))
2.500 0.800 0.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.30911E-02 ppm1 3.890 ppm2 2.186 CV 1
ASSI { 345}
(( segid B and resid 215 and name HD2 ))
(( segid B and resid 215 and name HG3 ))
3.000 0.900 0.900 peak 345 spectrum 1 weight 0.10000E+01 volume 0.36738E-02 ppm1 3.882 ppm2 1.981 CV 1
ASSI { 346}
(( segid B and resid 215 and name HD3 ))
(( segid B and resid 215 and name HG2 ))
3.000 0.900 0.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.37702E-02 ppm1 3.786 ppm2 2.180 CV 1
ASSI { 350}
(( segid B and resid 215 and name HG3 ))
(( segid B and resid 215 and name HG2 ))
1.800 0.700 0.700 peak 350 spectrum 1 weight 0.10000E+01 volume 0.19885E-01 ppm1 1.993 ppm2 2.180 CV 1
OR { 350}
(( segid B and resid 215 and name HB3 ))
(( segid B and resid 215 and name HG2 ))
ASSI { 351}
(( segid B and resid 215 and name HG2 ))
(( segid B and resid 215 and name HG3 ))
1.700 0.600 0.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.23524E-01 ppm1 2.191 ppm2 1.978 CV 1
OR { 351}
(( segid B and resid 215 and name HB2 ))
(( segid B and resid 215 and name HG3 ))
ASSI { 352}
(( segid B and resid 213 and name HB2 ))
(( segid B and resid 214 and name HN ))
3.500 1.000 1.000 peak 352 spectrum 1 weight 0.11000E+01 volume 0.65188E-03 ppm1 1.768 ppm2 8.142 CV 1
ASSI { 355}
( segid B and resid 211 and name HE% )
(( segid B and resid 213 and name HB3 ))
4.600 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.38066E-03 ppm1 6.373 ppm2 1.511 CV 1
ASSI { 356}
( segid B and resid 211 and name HE% )
(( segid B and resid 213 and name HB2 ))
4.200 4.200 1.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.52197E-03 ppm1 6.373 ppm2 1.767 CV 1
ASSI { 361}
(( segid B and resid 213 and name HB3 ))
(( segid B and resid 213 and name HB2 ))
1.900 0.700 0.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.11764E-01 ppm1 1.498 ppm2 1.768 CV 1
ASSI { 368}
(( segid B and resid 203 and name HB3 ))
(( segid B and resid 203 and name HA ))
3.000 0.900 0.900 peak 368 spectrum 1 weight 0.11000E+01 volume 0.22855E-02 ppm1 1.974 ppm2 4.272 CV 1
ASSI { 369}
(( segid B and resid 203 and name HB2 ))
(( segid B and resid 203 and name HG2 ))
2.300 0.800 0.800 peak 369 spectrum 1 weight 0.11000E+01 volume 0.15109E-01 ppm1 2.066 ppm2 2.266 CV 1
ASSI { 375}
(( segid B and resid 207 and name HB3 ))
(( segid B and resid 207 and name HD2 ))
3.600 1.000 1.000 peak 375 spectrum 1 weight 0.11000E+01 volume 0.20723E-02 ppm1 1.949 ppm2 3.837 CV 1
ASSI { 376}
(( segid B and resid 207 and name HB3 ))
(( segid B and resid 207 and name HD3 ))
3.500 1.000 1.000 peak 376 spectrum 1 weight 0.11000E+01 volume 0.23850E-02 ppm1 1.954 ppm2 3.707 CV 1
ASSI { 377}
(( segid B and resid 207 and name HB3 ))
(( segid B and resid 208 and name HD2 ))
3.600 1.000 1.000 peak 377 spectrum 1 weight 0.11000E+01 volume 0.21096E-02 ppm1 1.952 ppm2 3.592 CV 1
ASSI { 378}
(( segid B and resid 207 and name HB3 ))
(( segid B and resid 208 and name HD3 ))
3.300 1.000 1.000 peak 378 spectrum 1 weight 0.11000E+01 volume 0.32901E-02 ppm1 1.952 ppm2 3.418 CV 1
ASSI { 379}
(( segid B and resid 207 and name HB2 ))
(( segid B and resid 207 and name HB3 ))
1.600 0.600 0.600 peak 379 spectrum 1 weight 0.11000E+01 volume 0.26836E-01 ppm1 2.353 ppm2 1.968 CV 1
ASSI { 383}
(( segid B and resid 212 and name HN ))
(( segid B and resid 212 and name HB2 ))
4.000 1.100 1.100 peak 383 spectrum 1 weight 0.10000E+01 volume 0.50917E-03 ppm1 5.919 ppm2 3.817 CV 1
ASSI { 384}
(( segid B and resid 212 and name HN ))
(( segid B and resid 212 and name HB3 ))
4.200 1.100 1.100 peak 384 spectrum 1 weight 0.10000E+01 volume 0.48123E-03 ppm1 5.897 ppm2 3.589 CV 1
ASSI { 388}
(( segid B and resid 213 and name HB3 ))
(( segid B and resid 212 and name HB2 ))
4.900 1.300 1.100 peak 388 spectrum 1 weight 0.10000E+01 volume 0.32291E-03 ppm1 1.505 ppm2 3.815 CV 1
ASSI { 390}
(( segid B and resid 205 and name HN ))
(( segid B and resid 205 and name HA ))
3.200 0.900 0.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.14199E-02 ppm1 8.187 ppm2 4.339 CV 1
ASSI { 393}
(( segid B and resid 215 and name HB2 ))
(( segid B and resid 215 and name HB3 ))
1.700 0.600 0.600 peak 393 spectrum 1 weight 0.11000E+01 volume 0.24794E-01 ppm1 2.214 ppm2 2.034 CV 1
ASSI { 395}
(( segid B and resid 214 and name HA ))
(( segid B and resid 215 and name HB2 ))
5.000 1.300 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.42489E-03 ppm1 4.980 ppm2 2.214 CV 1
ASSI { 396}
(( segid B and resid 214 and name HA ))
(( segid B and resid 215 and name HB3 ))
4.700 1.200 1.200 peak 396 spectrum 1 weight 0.10000E+01 volume 0.35737E-03 ppm1 4.981 ppm2 2.040 CV 1
ASSI { 400}
(( segid B and resid 214 and name HB3 ))
(( segid B and resid 215 and name HG2 ))
5.400 1.400 0.600 peak 400 spectrum 1 weight 0.11000E+01 volume 0.33223E-03 ppm1 2.596 ppm2 2.180 CV 1
ASSI { 401}
(( segid B and resid 214 and name HB3 ))
(( segid B and resid 215 and name HG3 ))
5.200 5.200 0.800 peak 401 spectrum 1 weight 0.11000E+01 volume 0.42349E-03 ppm1 2.592 ppm2 2.020 CV 1
ASSI { 402}
(( segid B and resid 213 and name HB2 ))
(( segid B and resid 214 and name HB3 ))
5.000 5.000 1.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.33619E-03 ppm1 1.795 ppm2 2.625 CV 1
ASSI { 405}
(( segid A and resid 321 and name HB3 ))
(( segid B and resid 211 and name HB2 ))
4.100 1.100 1.100 peak 405 spectrum 1 weight 0.10000E+01 volume 0.36110E-03 ppm1 0.696 ppm2 2.543 CV 1
ASSI { 406}
( segid A and resid 325 and name HE% )
(( segid B and resid 209 and name HD3 ))
4.600 1.200 1.200 peak 406 spectrum 1 weight 0.10000E+01 volume 0.40928E-03 ppm1 7.162 ppm2 1.594 CV 1
ASSI { 407}
(( segid B and resid 207 and name HA ))
(( segid B and resid 209 and name HD2 ))
4.300 4.300 1.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.56318E-03 ppm1 4.792 ppm2 3.044 CV 1
ASSI { 409}
( segid A and resid 308 and name HG2%)
(( segid B and resid 209 and name HD3 ))
3.300 3.300 2.700 peak 409 spectrum 1 weight 0.10000E+01 volume 0.49334E-03 ppm1 1.441 ppm2 1.607 CV 1
ASSI { 410}
(( segid B and resid 208 and name HD3 ))
( segid A and resid 325 and name HD% )
3.700 3.700 2.300 peak 410 spectrum 1 weight 0.11000E+01 volume 0.33153E-03 ppm1 3.413 ppm2 7.640 CV 1
ASSI { 411}
(( segid B and resid 199 and name HD2 ))
(( segid B and resid 198 and name HA2 ))
2.700 0.800 0.800 peak 411 spectrum 1 weight 0.11000E+01 volume 0.35239E-02 ppm1 3.574 ppm2 3.931 CV 1
ASSI { 412}
(( segid B and resid 199 and name HD2 ))
(( segid B and resid 200 and name HA ))
4.000 1.100 1.100 peak 412 spectrum 1 weight 0.11000E+01 volume 0.52174E-03 ppm1 3.574 ppm2 4.347 CV 1
ASSI { 415}
( segid B and resid 214 and name HD% )
(( segid B and resid 215 and name HG2 ))
5.200 1.300 0.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.33176E-03 ppm1 7.147 ppm2 2.189 CV 1
ASSI { 416}
( segid B and resid 214 and name HD% )
(( segid B and resid 215 and name HG3 ))
4.900 1.300 1.100 peak 416 spectrum 1 weight 0.10000E+01 volume 0.47355E-03 ppm1 7.130 ppm2 1.993 CV 1
ASSI { 423}
(( segid B and resid 205 and name HB2 ))
(( segid B and resid 205 and name HB3 ))
1.600 0.600 0.600 peak 423 spectrum 1 weight 0.11000E+01 volume 0.36689E-01 ppm1 2.076 ppm2 1.964 CV 1
ASSI { 425}
(( segid B and resid 205 and name HB3 ))
(( segid B and resid 205 and name HG2 ))
2.100 0.700 0.700 peak 425 spectrum 1 weight 0.11000E+01 volume 0.15729E-01 ppm1 1.965 ppm2 2.261 CV 1
ASSI { 426}
(( segid B and resid 205 and name HB2 ))
(( segid B and resid 206 and name HN ))
4.400 4.400 1.600 peak 426 spectrum 1 weight 0.11000E+01 volume 0.37716E-03 ppm1 2.065 ppm2 8.195 CV 1
ASSI { 429}
(( segid B and resid 213 and name HG3 ))
( segid B and resid 214 and name HD% )
4.800 1.300 1.200 peak 429 spectrum 1 weight 0.11000E+01 volume 0.39858E-03 ppm1 0.792 ppm2 7.119 CV 1
ASSI { 430}
(( segid B and resid 213 and name HG3 ))
( segid B and resid 214 and name HE% )
4.300 1.200 1.200 peak 430 spectrum 1 weight 0.11000E+01 volume 0.41301E-03 ppm1 0.803 ppm2 6.768 CV 1
ASSI { 431}
( segid A and resid 308 and name HG2%)
(( segid B and resid 209 and name HG2 ))
3.800 3.800 2.200 peak 431 spectrum 1 weight 0.10000E+01 volume 0.14311E-02 ppm1 1.441 ppm2 1.595 CV 1
ASSI { 432}
( segid A and resid 308 and name HG2%)
(( segid B and resid 209 and name HG3 ))
2.900 0.900 0.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.12055E-02 ppm1 1.441 ppm2 1.190 CV 1
ASSI { 437}
( segid A and resid 316 and name HG2%)
(( segid B and resid 211 and name HA ))
4.400 1.200 1.200 peak 437 spectrum 1 weight 0.10000E+01 volume 0.42861E-03 ppm1 0.603 ppm2 3.440 CV 1
ASSI { 441}
(( segid B and resid 212 and name HB2 ))
(( segid B and resid 211 and name HN ))
3.400 3.400 2.600 peak 441 spectrum 1 weight 0.11000E+01 volume 0.48472E-03 ppm1 3.812 ppm2 8.821 CV 1
ASSI { 445}
( segid B and resid 214 and name HE% )
(( segid B and resid 215 and name HD3 ))
3.500 3.500 2.500 peak 445 spectrum 1 weight 0.11000E+01 volume 0.43001E-03 ppm1 6.768 ppm2 3.790 CV 1
ASSI { 446}
(( segid B and resid 217 and name HN ))
(( segid B and resid 216 and name HA ))
2.600 0.800 0.800 peak 446 spectrum 1 weight 0.11000E+01 volume 0.44328E-02 ppm1 7.877 ppm2 4.546 CV 1
ASSI { 447}
(( segid B and resid 217 and name HN ))
(( segid B and resid 216 and name HN ))
3.900 1.100 1.100 peak 447 spectrum 1 weight 0.11000E+01 volume 0.81369E-03 ppm1 7.876 ppm2 8.559 CV 1
ASSI { 450}
(( segid B and resid 217 and name HN ))
(( segid B and resid 217 and name HB2 ))
2.900 0.900 0.900 peak 450 spectrum 1 weight 0.11000E+01 volume 0.41765E-02 ppm1 7.875 ppm2 2.558 CV 1
ASSI { 451}
(( segid B and resid 216 and name HB2 ))
(( segid B and resid 217 and name HN ))
4.000 1.100 1.100 peak 451 spectrum 1 weight 0.10000E+01 volume 0.89632E-03 ppm1 2.176 ppm2 7.877 CV 1
ASSI { 453}
(( segid B and resid 216 and name HB3 ))
(( segid B and resid 217 and name HN ))
4.400 1.200 1.200 peak 453 spectrum 1 weight 0.10000E+01 volume 0.95597E-03 ppm1 1.960 ppm2 7.877 CV 1
ASSI { 454}
(( segid B and resid 212 and name HN ))
(( segid B and resid 211 and name HA ))
3.400 1.000 1.000 peak 454 spectrum 1 weight 0.11000E+01 volume 0.10488E-02 ppm1 5.902 ppm2 3.433 CV 1
ASSI { 456}
(( segid B and resid 216 and name HN ))
(( segid B and resid 216 and name HA ))
3.000 0.900 0.900 peak 456 spectrum 1 weight 0.11000E+01 volume 0.17952E-02 ppm1 8.564 ppm2 4.551 CV 1
ASSI { 457}
(( segid B and resid 216 and name HN ))
(( segid B and resid 215 and name HA ))
2.700 0.800 0.800 peak 457 spectrum 1 weight 0.11000E+01 volume 0.28196E-02 ppm1 8.565 ppm2 4.229 CV 1
ASSI { 458}
(( segid B and resid 215 and name HD2 ))
(( segid B and resid 216 and name HN ))
4.300 1.200 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.39323E-03 ppm1 3.894 ppm2 8.572 CV 1
ASSI { 459}
(( segid B and resid 216 and name HG3 ))
(( segid B and resid 216 and name HN ))
4.100 4.100 1.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.38019E-03 ppm1 2.549 ppm2 8.555 CV 1
OR { 459}
(( segid B and resid 216 and name HG2 ))
(( segid B and resid 216 and name HN ))
ASSI { 461}
(( segid B and resid 215 and name HB3 ))
(( segid B and resid 216 and name HN ))
4.900 1.300 1.100 peak 461 spectrum 1 weight 0.10000E+01 volume 0.47611E-03 ppm1 2.029 ppm2 8.564 CV 1
ASSI { 463}
(( segid B and resid 204 and name HN ))
(( segid B and resid 204 and name HA ))
2.900 0.900 0.900 peak 463 spectrum 1 weight 0.11000E+01 volume 0.26257E-02 ppm1 8.125 ppm2 4.270 CV 1
ASSI { 464}
(( segid B and resid 204 and name HN ))
(( segid B and resid 204 and name HB2 ))
3.200 0.900 0.900 peak 464 spectrum 1 weight 0.11000E+01 volume 0.19971E-02 ppm1 8.125 ppm2 1.617 CV 1
ASSI { 467}
(( segid B and resid 205 and name HG2 ))
(( segid B and resid 205 and name HN ))
4.400 1.200 1.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.55084E-03 ppm1 2.266 ppm2 8.171 CV 1
OR { 467}
(( segid B and resid 205 and name HG3 ))
(( segid B and resid 205 and name HN ))
ASSI { 468}
(( segid B and resid 205 and name HN ))
(( segid B and resid 205 and name HB3 ))
3.700 1.000 1.000 peak 468 spectrum 1 weight 0.11000E+01 volume 0.97411E-03 ppm1 8.157 ppm2 1.960 CV 1
ASSI { 470}
(( segid B and resid 211 and name HA ))
(( segid B and resid 211 and name HN ))
3.800 1.100 1.100 peak 470 spectrum 1 weight 0.10000E+01 volume 0.47448E-03 ppm1 3.425 ppm2 8.846 CV 1
ASSI { 472}
(( segid B and resid 211 and name HN ))
( segid B and resid 211 and name HD% )
4.800 1.300 1.200 peak 472 spectrum 1 weight 0.11000E+01 volume 0.42186E-03 ppm1 8.847 ppm2 6.645 CV 1
ASSI { 475}
(( segid B and resid 214 and name HN ))
( segid B and resid 214 and name HD% )
3.000 0.900 0.900 peak 475 spectrum 1 weight 0.11000E+01 volume 0.18146E-02 ppm1 8.142 ppm2 7.131 CV 1
ASSI { 476}
(( segid B and resid 214 and name HN ))
( segid B and resid 214 and name HE% )
4.200 1.100 1.100 peak 476 spectrum 1 weight 0.11000E+01 volume 0.52174E-03 ppm1 8.144 ppm2 6.770 CV 1
ASSI { 477}
(( segid B and resid 214 and name HN ))
(( segid B and resid 214 and name HA ))
3.000 0.900 0.900 peak 477 spectrum 1 weight 0.11000E+01 volume 0.19056E-02 ppm1 8.142 ppm2 4.976 CV 1
ASSI { 479}
(( segid B and resid 214 and name HN ))
(( segid B and resid 212 and name HB2 ))
3.700 1.000 1.000 peak 479 spectrum 1 weight 0.11000E+01 volume 0.95128E-03 ppm1 8.142 ppm2 3.814 CV 1
ASSI { 483}
(( segid B and resid 214 and name HN ))
(( segid B and resid 213 and name HB3 ))
3.100 0.900 0.900 peak 483 spectrum 1 weight 0.11000E+01 volume 0.19927E-02 ppm1 8.143 ppm2 1.499 CV 1
ASSI { 484}
(( segid B and resid 213 and name HG3 ))
(( segid B and resid 214 and name HN ))
4.500 1.200 1.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.64234E-03 ppm1 0.794 ppm2 8.138 CV 1
ASSI { 1}
(( segid A and resid 312 and name HN ))
( segid A and resid 313 and name HG2%)
4.600 1.200 1.200 peak 1 spectrum 1 weight 0.11000E+01 volume 0.33276E-03 ppm1 7.534 ppm2 1.000 CV 1
ASSI { 1}
(( segid A and resid 303 and name HN ))
(( segid A and resid 303 and name HE1 ))
4.400 1.200 1.200 peak 1 spectrum 1 weight 0.10000E+01 volume 0.59940E-03 ppm1 7.693 ppm2 10.169 CV 1
ASSI { 2}
(( segid A and resid 303 and name HE1 ))
(( segid A and resid 319 and name HD22))
3.600 1.000 1.000 peak 2 spectrum 1 weight 0.11000E+01 volume 0.10387E-02 ppm1 10.168 ppm2 7.545 CV 1
ASSI { 5}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 303 and name HE1 ))
3.600 1.000 1.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.64028E-03 ppm1 0.868 ppm2 10.171 CV 1
ASSI { 6}
(( segid A and resid 303 and name HE1 ))
(( segid A and resid 302 and name HN ))
4.900 4.900 1.100 peak 6 spectrum 1 weight 0.11000E+01 volume 0.43277E-03 ppm1 10.174 ppm2 8.971 CV 1
ASSI { 9}
(( segid A and resid 317 and name HA ))
(( segid A and resid 303 and name HE1 ))
4.100 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.40606E-03 ppm1 3.576 ppm2 10.168 CV 1
ASSI { 14}
(( segid A and resid 300 and name HG2 ))
(( segid A and resid 303 and name HE1 ))
3.100 0.900 0.900 peak 14 spectrum 1 weight 0.10000E+01 volume 0.15438E-02 ppm1 1.265 ppm2 10.168 CV 1
ASSI { 15}
(( segid A and resid 308 and name HN ))
(( segid A and resid 312 and name HN ))
3.700 1.000 1.000 peak 15 spectrum 1 weight 0.11000E+01 volume 0.64745E-03 ppm1 9.585 ppm2 7.526 CV 1
ASSI { 19}
(( segid A and resid 308 and name HN ))
(( segid A and resid 313 and name HA ))
4.000 1.100 1.100 peak 19 spectrum 1 weight 0.11000E+01 volume 0.10082E-02 ppm1 9.578 ppm2 4.592 CV 1
ASSI { 22}
(( segid A and resid 312 and name HB3 ))
(( segid A and resid 308 and name HN ))
3.900 1.100 1.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.44612E-03 ppm1 1.743 ppm2 9.578 CV 1
ASSI { 24}
(( segid A and resid 308 and name HN ))
(( segid A and resid 312 and name HB2 ))
3.900 1.100 1.100 peak 24 spectrum 1 weight 0.11000E+01 volume 0.59109E-03 ppm1 9.587 ppm2 2.002 CV 1
ASSI { 25}
(( segid A and resid 311 and name HA1 ))
(( segid A and resid 308 and name HN ))
4.100 1.100 1.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.44678E-03 ppm1 3.645 ppm2 9.575 CV 1
ASSI { 26}
(( segid A and resid 325 and name HN ))
(( segid A and resid 325 and name HB2 ))
3.500 3.500 2.500 peak 26 spectrum 1 weight 0.11000E+01 volume 0.39661E-03 ppm1 9.529 ppm2 3.569 CV 1
ASSI { 27}
(( segid A and resid 316 and name HN ))
(( segid A and resid 315 and name HN ))
4.500 1.200 1.200 peak 27 spectrum 1 weight 0.11000E+01 volume 0.44727E-03 ppm1 9.466 ppm2 9.055 CV 1
ASSI { 28}
(( segid A and resid 316 and name HN ))
(( segid A and resid 315 and name HB3 ))
3.200 0.900 0.900 peak 28 spectrum 1 weight 0.11000E+01 volume 0.11670E-02 ppm1 9.453 ppm2 3.165 CV 1
ASSI { 29}
(( segid A and resid 316 and name HN ))
(( segid A and resid 317 and name HN ))
4.000 1.100 1.100 peak 29 spectrum 1 weight 0.11000E+01 volume 0.75608E-03 ppm1 9.459 ppm2 8.293 CV 1
ASSI { 30}
(( segid A and resid 304 and name HB2 ))
(( segid A and resid 316 and name HN ))
4.400 1.200 1.200 peak 30 spectrum 1 weight 0.10000E+01 volume 0.59598E-03 ppm1 2.175 ppm2 9.470 CV 1
OR { 30}
(( segid A and resid 304 and name HG3 ))
(( segid A and resid 316 and name HN ))
ASSI { 34}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 316 and name HN ))
3.500 1.000 1.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.89813E-03 ppm1 7.393 ppm2 9.458 CV 1
ASSI { 36}
(( segid A and resid 316 and name HN ))
(( segid A and resid 303 and name HA ))
4.400 1.200 1.200 peak 36 spectrum 1 weight 0.11000E+01 volume 0.54532E-03 ppm1 9.456 ppm2 6.105 CV 1
ASSI { 42}
(( segid A and resid 316 and name HN ))
( segid A and resid 299 and name HD2%)
4.300 1.200 1.200 peak 42 spectrum 1 weight 0.11000E+01 volume 0.42740E-03 ppm1 9.456 ppm2 0.881 CV 1
ASSI { 43}
(( segid A and resid 304 and name HN ))
(( segid A and resid 318 and name HN ))
4.500 1.200 1.200 peak 43 spectrum 1 weight 0.11000E+01 volume 0.48603E-03 ppm1 9.463 ppm2 8.779 CV 1
ASSI { 45}
(( segid A and resid 304 and name HN ))
(( segid A and resid 305 and name HN ))
4.200 1.100 1.100 peak 45 spectrum 1 weight 0.11000E+01 volume 0.53636E-03 ppm1 9.458 ppm2 8.635 CV 1
ASSI { 48}
(( segid A and resid 315 and name HA ))
(( segid A and resid 304 and name HN ))
4.300 1.200 1.200 peak 48 spectrum 1 weight 0.10000E+01 volume 0.68410E-03 ppm1 5.160 ppm2 9.452 CV 1
ASSI { 49}
(( segid A and resid 304 and name HA ))
(( segid A and resid 304 and name HN ))
2.800 0.900 0.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.25247E-02 ppm1 4.826 ppm2 9.457 CV 1
ASSI { 52}
(( segid A and resid 304 and name HB3 ))
(( segid A and resid 304 and name HN ))
2.900 0.900 0.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.19782E-02 ppm1 1.954 ppm2 9.457 CV 1
ASSI { 53}
(( segid A and resid 304 and name HN ))
(( segid A and resid 316 and name HB ))
2.900 0.900 0.900 peak 53 spectrum 1 weight 0.11000E+01 volume 0.26315E-02 ppm1 9.456 ppm2 1.812 CV 1
ASSI { 54}
( segid A and resid 316 and name HG2%)
(( segid A and resid 304 and name HN ))
3.800 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.91847E-03 ppm1 0.580 ppm2 9.455 CV 1
ASSI { 57}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 304 and name HN ))
3.400 1.000 1.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.10930E-02 ppm1 7.391 ppm2 9.457 CV 1
ASSI { 58}
(( segid A and resid 304 and name HN ))
(( segid A and resid 316 and name HA ))
4.200 1.100 1.100 peak 58 spectrum 1 weight 0.11000E+01 volume 0.46030E-03 ppm1 9.449 ppm2 4.248 CV 1
ASSI { 60}
(( segid A and resid 304 and name HB2 ))
(( segid A and resid 304 and name HN ))
3.200 0.900 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.18585E-02 ppm1 2.176 ppm2 9.458 CV 1
OR { 60}
(( segid A and resid 304 and name HG3 ))
(( segid A and resid 304 and name HN ))
ASSI { 62}
( segid A and resid 316 and name HG1%)
(( segid A and resid 304 and name HN ))
4.200 1.100 1.100 peak 62 spectrum 1 weight 0.10000E+01 volume 0.64615E-03 ppm1 0.349 ppm2 9.459 CV 1
ASSI { 64}
(( segid A and resid 304 and name HN ))
( segid A and resid 299 and name HD2%)
4.300 1.200 1.200 peak 64 spectrum 1 weight 0.11000E+01 volume 0.50069E-03 ppm1 9.454 ppm2 0.875 CV 1
ASSI { 65}
(( segid A and resid 324 and name HN ))
(( segid A and resid 323 and name HN ))
4.000 1.100 1.100 peak 65 spectrum 1 weight 0.11000E+01 volume 0.74958E-03 ppm1 9.138 ppm2 8.057 CV 1
ASSI { 67}
( segid A and resid 314 and name HD% )
(( segid A and resid 324 and name HN ))
3.000 0.900 0.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.15648E-02 ppm1 6.851 ppm2 9.141 CV 1
ASSI { 68}
(( segid A and resid 303 and name HZ3 ))
(( segid A and resid 324 and name HN ))
4.300 1.200 1.200 peak 68 spectrum 1 weight 0.10000E+01 volume 0.59402E-03 ppm1 6.712 ppm2 9.142 CV 1
ASSI { 70}
(( segid A and resid 324 and name HA ))
(( segid A and resid 324 and name HN ))
2.800 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.23072E-02 ppm1 4.856 ppm2 9.142 CV 1
ASSI { 72}
(( segid A and resid 315 and name HB3 ))
(( segid A and resid 324 and name HN ))
4.100 1.100 1.100 peak 72 spectrum 1 weight 0.10000E+01 volume 0.96927E-03 ppm1 3.159 ppm2 9.145 CV 1
ASSI { 74}
(( segid A and resid 324 and name HG3 ))
(( segid A and resid 324 and name HN ))
2.600 0.800 0.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.27204E-02 ppm1 2.527 ppm2 9.142 CV 1
ASSI { 90}
( segid A and resid 316 and name HG2%)
(( segid A and resid 315 and name HN ))
4.000 1.100 1.100 peak 90 spectrum 1 weight 0.10000E+01 volume 0.43945E-03 ppm1 0.586 ppm2 9.083 CV 1
ASSI { 93}
(( segid A and resid 301 and name HB3 ))
(( segid A and resid 302 and name HN ))
4.400 1.200 1.200 peak 93 spectrum 1 weight 0.10000E+01 volume 0.63458E-03 ppm1 2.407 ppm2 9.027 CV 1
ASSI { 94}
(( segid A and resid 302 and name HN ))
(( segid A and resid 303 and name HN ))
3.300 3.300 2.700 peak 94 spectrum 1 weight 0.11000E+01 volume 0.64256E-03 ppm1 9.022 ppm2 7.687 CV 1
ASSI { 98}
(( segid A and resid 314 and name HN ))
(( segid A and resid 313 and name HN ))
4.300 1.200 1.200 peak 98 spectrum 1 weight 0.11000E+01 volume 0.70494E-03 ppm1 8.891 ppm2 8.578 CV 1
ASSI { 101}
(( segid A and resid 325 and name HA ))
(( segid A and resid 314 and name HN ))
4.700 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.45769E-03 ppm1 5.215 ppm2 8.898 CV 1
ASSI { 103}
(( segid A and resid 314 and name HN ))
(( segid A and resid 307 and name HB2 ))
3.400 3.400 2.600 peak 103 spectrum 1 weight 0.11000E+01 volume 0.47545E-03 ppm1 8.891 ppm2 2.475 CV 1
ASSI { 104}
(( segid A and resid 314 and name HN ))
( segid A and resid 313 and name HG2%)
3.200 0.900 0.900 peak 104 spectrum 1 weight 0.11000E+01 volume 0.19365E-02 ppm1 8.891 ppm2 1.013 CV 1
ASSI { 106}
(( segid A and resid 308 and name HN ))
(( segid A and resid 314 and name HN ))
4.500 1.200 1.200 peak 106 spectrum 1 weight 0.10000E+01 volume 0.53262E-03 ppm1 9.575 ppm2 8.890 CV 1
ASSI { 110}
(( segid A and resid 314 and name HA ))
(( segid A and resid 314 and name HN ))
2.800 0.900 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.22788E-02 ppm1 4.944 ppm2 8.891 CV 1
ASSI { 115}
(( segid A and resid 314 and name HN ))
( segid A and resid 308 and name HG2%)
3.900 1.100 1.100 peak 115 spectrum 1 weight 0.11000E+01 volume 0.81633E-03 ppm1 8.890 ppm2 1.483 CV 1
ASSI { 118}
(( segid A and resid 318 and name HN ))
(( segid A and resid 319 and name HN ))
2.600 0.800 0.800 peak 118 spectrum 1 weight 0.11000E+01 volume 0.40435E-02 ppm1 8.785 ppm2 8.478 CV 1
ASSI { 121}
(( segid A and resid 318 and name HN ))
(( segid A and resid 302 and name HA2 ))
2.900 0.900 0.900 peak 121 spectrum 1 weight 0.11000E+01 volume 0.29437E-02 ppm1 8.784 ppm2 4.288 CV 1
ASSI { 128}
(( segid A and resid 318 and name HN ))
(( segid A and resid 317 and name HB3 ))
3.900 1.100 1.100 peak 128 spectrum 1 weight 0.11000E+01 volume 0.90577E-03 ppm1 8.785 ppm2 0.087 CV 1
ASSI { 129}
(( segid A and resid 294 and name HA ))
(( segid A and resid 295 and name HN ))
3.800 1.100 1.100 peak 129 spectrum 1 weight 0.10000E+01 volume 0.66260E-03 ppm1 4.617 ppm2 8.758 CV 1
ASSI { 130}
(( segid A and resid 299 and name HN ))
(( segid A and resid 300 and name HD2 ))
4.700 1.200 1.200 peak 130 spectrum 1 weight 0.11000E+01 volume 0.51910E-03 ppm1 8.666 ppm2 3.291 CV 1
ASSI { 132}
(( segid A and resid 298 and name HG2 ))
(( segid A and resid 299 and name HN ))
4.400 1.200 1.200 peak 132 spectrum 1 weight 0.10000E+01 volume 0.81716E-03 ppm1 1.997 ppm2 8.662 CV 1
OR { 132}
(( segid A and resid 298 and name HG3 ))
(( segid A and resid 299 and name HN ))
ASSI { 135}
(( segid A and resid 298 and name HD2 ))
(( segid A and resid 299 and name HN ))
4.700 1.200 1.200 peak 135 spectrum 1 weight 0.10000E+01 volume 0.41665E-03 ppm1 3.645 ppm2 8.671 CV 1
OR { 135}
(( segid A and resid 298 and name HD3 ))
(( segid A and resid 299 and name HN ))
ASSI { 136}
(( segid A and resid 299 and name HN ))
(( segid A and resid 300 and name HD3 ))
4.400 1.200 1.200 peak 136 spectrum 1 weight 0.11000E+01 volume 0.71748E-03 ppm1 8.667 ppm2 2.783 CV 1
ASSI { 137}
(( segid A and resid 299 and name HN ))
(( segid A and resid 298 and name HB2 ))
3.100 0.900 0.900 peak 137 spectrum 1 weight 0.11000E+01 volume 0.16680E-02 ppm1 8.668 ppm2 2.286 CV 1
ASSI { 140}
(( segid A and resid 299 and name HN ))
( segid A and resid 299 and name HD1%)
3.600 1.000 1.000 peak 140 spectrum 1 weight 0.11000E+01 volume 0.13280E-02 ppm1 8.668 ppm2 1.080 CV 1
ASSI { 142}
(( segid A and resid 305 and name HN ))
(( segid A and resid 306 and name HN ))
4.600 1.200 1.200 peak 142 spectrum 1 weight 0.11000E+01 volume 0.46682E-03 ppm1 8.637 ppm2 8.306 CV 1
ASSI { 143}
(( segid A and resid 304 and name HA ))
(( segid A and resid 305 and name HN ))
2.100 0.700 0.700 peak 143 spectrum 1 weight 0.10000E+01 volume 0.10816E-01 ppm1 4.828 ppm2 8.635 CV 1
ASSI { 145}
(( segid A and resid 305 and name HN ))
(( segid A and resid 304 and name HG2 ))
3.100 0.900 0.900 peak 145 spectrum 1 weight 0.11000E+01 volume 0.16487E-02 ppm1 8.635 ppm2 2.472 CV 1
ASSI { 146}
(( segid A and resid 305 and name HN ))
(( segid A and resid 304 and name HB2 ))
3.500 1.000 1.000 peak 146 spectrum 1 weight 0.11000E+01 volume 0.27422E-02 ppm1 8.636 ppm2 2.180 CV 1
ASSI { 152}
(( segid A and resid 299 and name HG ))
(( segid A and resid 305 and name HN ))
4.500 1.200 1.200 peak 152 spectrum 1 weight 0.10000E+01 volume 0.46861E-03 ppm1 1.814 ppm2 8.626 CV 1
OR { 152}
(( segid A and resid 299 and name HB2 ))
(( segid A and resid 305 and name HN ))
ASSI { 153}
( segid A and resid 315 and name HD% )
(( segid A and resid 305 and name HN ))
3.500 3.500 2.500 peak 153 spectrum 1 weight 0.10000E+01 volume 0.43147E-03 ppm1 7.060 ppm2 8.623 CV 1
ASSI { 156}
(( segid A and resid 313 and name HN ))
(( segid A and resid 312 and name HB3 ))
3.100 0.900 0.900 peak 156 spectrum 1 weight 0.11000E+01 volume 0.28572E-02 ppm1 8.588 ppm2 1.729 CV 1
ASSI { 161}
( segid A and resid 315 and name HD% )
(( segid A and resid 327 and name HN ))
3.700 1.000 1.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.71358E-03 ppm1 7.074 ppm2 8.543 CV 1
ASSI { 164}
(( segid A and resid 326 and name HN ))
(( segid A and resid 327 and name HN ))
4.600 1.200 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.40590E-03 ppm1 7.457 ppm2 8.525 CV 1
ASSI { 165}
(( segid A and resid 327 and name HN ))
(( segid A and resid 330 and name HG ))
4.100 1.100 1.100 peak 165 spectrum 1 weight 0.11000E+01 volume 0.56063E-03 ppm1 8.533 ppm2 1.363 CV 1
ASSI { 166}
(( segid A and resid 327 and name HN ))
(( segid A and resid 330 and name HN ))
3.700 3.700 2.300 peak 166 spectrum 1 weight 0.11000E+01 volume 0.11631E-02 ppm1 8.542 ppm2 7.254 CV 1
ASSI { 168}
(( segid A and resid 330 and name HB3 ))
(( segid A and resid 327 and name HN ))
4.200 1.100 1.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.55591E-03 ppm1 1.619 ppm2 8.543 CV 1
ASSI { 171}
(( segid A and resid 327 and name HN ))
(( segid A and resid 327 and name HA ))
2.600 0.800 0.800 peak 171 spectrum 1 weight 0.11000E+01 volume 0.36034E-02 ppm1 8.537 ppm2 2.743 CV 1
ASSI { 174}
(( segid A and resid 329 and name HN ))
(( segid A and resid 300 and name HD3 ))
4.500 4.500 1.500 peak 174 spectrum 1 weight 0.11000E+01 volume 0.43994E-03 ppm1 8.543 ppm2 3.312 CV 1
ASSI { 176}
(( segid A and resid 327 and name HB3 ))
(( segid A and resid 329 and name HN ))
3.600 1.000 1.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.52985E-03 ppm1 2.374 ppm2 8.544 CV 1
ASSI { 177}
(( segid A and resid 329 and name HN ))
(( segid A and resid 329 and name HB3 ))
3.000 0.900 0.900 peak 177 spectrum 1 weight 0.11000E+01 volume 0.44365E-02 ppm1 8.538 ppm2 1.535 CV 1
ASSI { 178}
(( segid A and resid 329 and name HE ))
(( segid A and resid 329 and name HN ))
4.100 1.100 1.100 peak 178 spectrum 1 weight 0.10000E+01 volume 0.87870E-03 ppm1 8.827 ppm2 8.534 CV 1
ASSI { 179}
(( segid A and resid 329 and name HN ))
(( segid A and resid 330 and name HN ))
2.500 0.800 0.800 peak 179 spectrum 1 weight 0.11000E+01 volume 0.48581E-02 ppm1 8.540 ppm2 7.215 CV 1
ASSI { 181}
(( segid A and resid 329 and name HN ))
(( segid A and resid 328 and name HD2 ))
2.600 0.800 0.800 peak 181 spectrum 1 weight 0.11000E+01 volume 0.32627E-02 ppm1 8.537 ppm2 2.781 CV 1
ASSI { 184}
(( segid A and resid 329 and name HN ))
(( segid A and resid 330 and name HG ))
4.000 1.100 1.100 peak 184 spectrum 1 weight 0.11000E+01 volume 0.75948E-03 ppm1 8.532 ppm2 1.367 CV 1
ASSI { 185}
(( segid A and resid 329 and name HN ))
(( segid A and resid 329 and name HG2 ))
3.100 0.900 0.900 peak 185 spectrum 1 weight 0.11000E+01 volume 0.40961E-02 ppm1 8.537 ppm2 1.172 CV 1
ASSI { 187}
(( segid A and resid 328 and name HG3 ))
(( segid A and resid 329 and name HN ))
4.000 1.100 1.100 peak 187 spectrum 1 weight 0.10000E+01 volume 0.16656E-02 ppm1 0.542 ppm2 8.537 CV 1
ASSI { 190}
(( segid A and resid 320 and name HD22))
( segid A and resid 322 and name HG2%)
3.200 0.900 0.900 peak 190 spectrum 1 weight 0.11000E+01 volume 0.77301E-03 ppm1 8.452 ppm2 0.972 CV 1
ASSI { 194}
(( segid A and resid 319 and name HN ))
(( segid A and resid 319 and name HD21))
2.900 0.900 0.900 peak 194 spectrum 1 weight 0.11000E+01 volume 0.31168E-02 ppm1 8.478 ppm2 7.818 CV 1
ASSI { 195}
(( segid A and resid 319 and name HN ))
(( segid A and resid 319 and name HD22))
3.100 0.900 0.900 peak 195 spectrum 1 weight 0.11000E+01 volume 0.29478E-02 ppm1 8.478 ppm2 7.538 CV 1
ASSI { 198}
(( segid A and resid 319 and name HN ))
(( segid A and resid 318 and name HB3 ))
3.700 1.000 1.000 peak 198 spectrum 1 weight 0.11000E+01 volume 0.13208E-02 ppm1 8.478 ppm2 3.249 CV 1
ASSI { 201}
(( segid A and resid 294 and name HB3 ))
(( segid A and resid 294 and name HN ))
4.100 4.100 1.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.39385E-03 ppm1 1.685 ppm2 8.408 CV 1
OR { 201}
(( segid A and resid 294 and name HB2 ))
(( segid A and resid 294 and name HN ))
ASSI { 202}
(( segid A and resid 293 and name HA ))
(( segid A and resid 294 and name HN ))
3.600 1.000 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.87402E-03 ppm1 4.505 ppm2 8.401 CV 1
ASSI { 203}
(( segid A and resid 317 and name HN ))
(( segid A and resid 322 and name HN ))
3.000 0.900 0.900 peak 203 spectrum 1 weight 0.11000E+01 volume 0.16941E-02 ppm1 8.278 ppm2 7.432 CV 1
ASSI { 205}
(( segid A and resid 303 and name HZ3 ))
(( segid A and resid 317 and name HN ))
3.700 3.700 2.300 peak 205 spectrum 1 weight 0.10000E+01 volume 0.49238E-03 ppm1 6.745 ppm2 8.275 CV 1
ASSI { 210}
(( segid A and resid 317 and name HN ))
(( segid A and resid 316 and name HB ))
4.100 1.100 1.100 peak 210 spectrum 1 weight 0.11000E+01 volume 0.64549E-03 ppm1 8.276 ppm2 1.827 CV 1
ASSI { 216}
(( segid A and resid 317 and name HN ))
(( segid A and resid 318 and name HN ))
4.500 1.200 1.200 peak 216 spectrum 1 weight 0.11000E+01 volume 0.39156E-03 ppm1 8.272 ppm2 8.777 CV 1
ASSI { 218}
(( segid A and resid 307 and name HA ))
(( segid A and resid 306 and name HN ))
4.000 1.100 1.100 peak 218 spectrum 1 weight 0.10000E+01 volume 0.47023E-03 ppm1 5.859 ppm2 8.299 CV 1
ASSI { 220}
(( segid A and resid 306 and name HN ))
(( segid A and resid 316 and name HN ))
4.300 1.200 1.200 peak 220 spectrum 1 weight 0.11000E+01 volume 0.52839E-03 ppm1 8.299 ppm2 9.455 CV 1
ASSI { 221}
(( segid A and resid 306 and name HN ))
(( segid A and resid 314 and name HN ))
2.700 0.800 0.800 peak 221 spectrum 1 weight 0.11000E+01 volume 0.29285E-02 ppm1 8.299 ppm2 8.892 CV 1
ASSI { 223}
( segid A and resid 315 and name HD% )
(( segid A and resid 306 and name HN ))
4.100 1.100 1.100 peak 223 spectrum 1 weight 0.10000E+01 volume 0.57709E-03 ppm1 7.065 ppm2 8.295 CV 1
ASSI { 224}
( segid A and resid 314 and name HD% )
(( segid A and resid 306 and name HN ))
3.900 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.44433E-03 ppm1 6.842 ppm2 8.294 CV 1
ASSI { 228}
(( segid A and resid 306 and name HN ))
(( segid A and resid 306 and name HB2 ))
2.700 0.800 0.800 peak 228 spectrum 1 weight 0.11000E+01 volume 0.27036E-02 ppm1 8.298 ppm2 1.521 CV 1
ASSI { 232}
(( segid A and resid 306 and name HN ))
( segid A and resid 316 and name HG2%)
3.800 1.100 1.100 peak 232 spectrum 1 weight 0.11000E+01 volume 0.64631E-03 ppm1 8.300 ppm2 0.593 CV 1
ASSI { 234}
(( segid A and resid 308 and name HN ))
(( segid A and resid 307 and name HN ))
4.400 1.200 1.200 peak 234 spectrum 1 weight 0.10000E+01 volume 0.50069E-03 ppm1 9.568 ppm2 8.184 CV 1
ASSI { 235}
(( segid A and resid 307 and name HN ))
(( segid A and resid 307 and name HD21))
4.400 1.200 1.200 peak 235 spectrum 1 weight 0.11000E+01 volume 0.45313E-03 ppm1 8.192 ppm2 7.066 CV 1
ASSI { 238}
(( segid A and resid 313 and name HA ))
(( segid A and resid 307 and name HN ))
4.400 1.200 1.200 peak 238 spectrum 1 weight 0.10000E+01 volume 0.60396E-03 ppm1 4.591 ppm2 8.187 CV 1
ASSI { 240}
(( segid A and resid 306 and name HD3 ))
(( segid A and resid 307 and name HN ))
4.400 1.200 1.200 peak 240 spectrum 1 weight 0.10000E+01 volume 0.53604E-03 ppm1 3.073 ppm2 8.188 CV 1
ASSI { 241}
(( segid A and resid 306 and name HD2 ))
(( segid A and resid 307 and name HN ))
4.900 1.300 1.100 peak 241 spectrum 1 weight 0.10000E+01 volume 0.44515E-03 ppm1 2.710 ppm2 8.187 CV 1
ASSI { 243}
(( segid A and resid 306 and name HB2 ))
(( segid A and resid 307 and name HN ))
3.100 0.900 0.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.53011E-02 ppm1 1.502 ppm2 8.187 CV 1
ASSI { 244}
(( segid A and resid 306 and name HG3 ))
(( segid A and resid 307 and name HN ))
4.300 1.200 1.200 peak 244 spectrum 1 weight 0.10000E+01 volume 0.10666E-02 ppm1 1.051 ppm2 8.186 CV 1
ASSI { 248}
(( segid A and resid 308 and name HN ))
(( segid A and resid 311 and name HN ))
3.700 1.000 1.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.62921E-03 ppm1 9.563 ppm2 8.029 CV 1
ASSI { 249}
(( segid A and resid 311 and name HN ))
(( segid A and resid 312 and name HN ))
3.000 0.900 0.900 peak 249 spectrum 1 weight 0.11000E+01 volume 0.19585E-02 ppm1 8.032 ppm2 7.534 CV 1
ASSI { 250}
(( segid A and resid 310 and name HB ))
(( segid A and resid 311 and name HN ))
3.900 1.100 1.100 peak 250 spectrum 1 weight 0.10000E+01 volume 0.56747E-03 ppm1 4.599 ppm2 8.034 CV 1
ASSI { 254}
(( segid A and resid 312 and name HB2 ))
(( segid A and resid 311 and name HN ))
4.400 1.200 1.200 peak 254 spectrum 1 weight 0.10000E+01 volume 0.47724E-03 ppm1 1.974 ppm2 8.029 CV 1
ASSI { 255}
(( segid A and resid 312 and name HB3 ))
(( segid A and resid 311 and name HN ))
4.500 1.200 1.200 peak 255 spectrum 1 weight 0.10000E+01 volume 0.52269E-03 ppm1 1.701 ppm2 8.029 CV 1
ASSI { 256}
( segid A and resid 309 and name HB% )
(( segid A and resid 311 and name HN ))
4.700 1.200 1.200 peak 256 spectrum 1 weight 0.10000E+01 volume 0.40573E-03 ppm1 1.578 ppm2 8.031 CV 1
ASSI { 259}
(( segid A and resid 323 and name HN ))
(( segid A and resid 324 and name HB3 ))
4.000 1.100 1.100 peak 259 spectrum 1 weight 0.11000E+01 volume 0.39971E-03 ppm1 8.079 ppm2 2.248 CV 1
ASSI { 263}
(( segid A and resid 303 and name HZ3 ))
(( segid A and resid 324 and name HE21))
4.000 1.100 1.100 peak 263 spectrum 1 weight 0.10000E+01 volume 0.52839E-03 ppm1 6.701 ppm2 8.043 CV 1
ASSI { 264}
(( segid A and resid 324 and name HE22))
(( segid A and resid 324 and name HE21))
1.700 0.600 0.600 peak 264 spectrum 1 weight 0.10000E+01 volume 0.22580E-01 ppm1 7.253 ppm2 8.045 CV 1
ASSI { 268}
(( segid A and resid 324 and name HG3 ))
(( segid A and resid 324 and name HE21))
2.700 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.20194E-02 ppm1 2.531 ppm2 8.043 CV 1
ASSI { 271}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 324 and name HE21))
4.500 1.200 1.200 peak 271 spectrum 1 weight 0.10000E+01 volume 0.56340E-03 ppm1 0.854 ppm2 8.043 CV 1
OR { 271}
(( segid A and resid 328 and name HB2 ))
(( segid A and resid 324 and name HE21))
ASSI { 272}
(( segid A and resid 315 and name HB2 ))
(( segid A and resid 324 and name HE21))
3.700 1.000 1.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.42756E-03 ppm1 3.320 ppm2 8.033 CV 1
ASSI { 274}
(( segid A and resid 300 and name HB2 ))
(( segid A and resid 319 and name HD21))
4.300 1.200 1.200 peak 274 spectrum 1 weight 0.10000E+01 volume 0.43017E-03 ppm1 1.894 ppm2 7.810 CV 1
ASSI { 276}
(( segid A and resid 320 and name HN ))
(( segid A and resid 319 and name HD21))
4.200 1.100 1.100 peak 276 spectrum 1 weight 0.10000E+01 volume 0.64028E-03 ppm1 6.864 ppm2 7.822 CV 1
ASSI { 278}
(( segid A and resid 319 and name HD22))
(( segid A and resid 319 and name HD21))
1.700 0.600 0.600 peak 278 spectrum 1 weight 0.10000E+01 volume 0.22585E-01 ppm1 7.547 ppm2 7.818 CV 1
ASSI { 280}
(( segid A and resid 302 and name HA1 ))
(( segid A and resid 319 and name HD21))
6.000 1.500 0.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.59288E-03 ppm1 3.866 ppm2 7.817 CV 1
ASSI { 283}
(( segid A and resid 319 and name HD21))
(( segid A and resid 303 and name HE1 ))
3.400 3.400 2.600 peak 283 spectrum 1 weight 0.11000E+01 volume 0.10440E-02 ppm1 7.818 ppm2 10.164 CV 1
OR { 283}
(( segid A and resid 319 and name HD22))
(( segid A and resid 303 and name HE1 ))
ASSI { 284}
(( segid A and resid 330 and name HA ))
(( segid A and resid 331 and name HN ))
3.900 1.100 1.100 peak 284 spectrum 1 weight 0.10000E+01 volume 0.55314E-03 ppm1 4.280 ppm2 7.707 CV 1
ASSI { 285}
(( segid A and resid 330 and name HN ))
(( segid A and resid 331 and name HN ))
3.800 1.100 1.100 peak 285 spectrum 1 weight 0.10000E+01 volume 0.61781E-03 ppm1 7.219 ppm2 7.699 CV 1
ASSI { 286}
(( segid A and resid 331 and name HB3 ))
(( segid A and resid 331 and name HN ))
4.100 4.100 1.900 peak 286 spectrum 1 weight 0.10000E+01 volume 0.39710E-03 ppm1 3.748 ppm2 7.680 CV 1
OR { 286}
(( segid A and resid 331 and name HB2 ))
(( segid A and resid 331 and name HN ))
ASSI { 287}
(( segid A and resid 318 and name HD2 ))
(( segid A and resid 303 and name HN ))
4.000 1.100 1.100 peak 287 spectrum 1 weight 0.10000E+01 volume 0.40264E-03 ppm1 6.863 ppm2 7.687 CV 1
ASSI { 288}
(( segid A and resid 303 and name HN ))
(( segid A and resid 304 and name HN ))
4.000 1.100 1.100 peak 288 spectrum 1 weight 0.11000E+01 volume 0.87711E-03 ppm1 7.678 ppm2 9.457 CV 1
ASSI { 290}
(( segid A and resid 303 and name HN ))
(( segid A and resid 303 and name HA ))
2.700 0.800 0.800 peak 290 spectrum 1 weight 0.11000E+01 volume 0.29667E-02 ppm1 7.680 ppm2 6.102 CV 1
ASSI { 292}
(( segid A and resid 317 and name HA ))
(( segid A and resid 303 and name HN ))
4.400 1.200 1.200 peak 292 spectrum 1 weight 0.10000E+01 volume 0.40199E-03 ppm1 3.585 ppm2 7.681 CV 1
ASSI { 295}
(( segid A and resid 299 and name HB2 ))
(( segid A and resid 303 and name HN ))
4.100 1.100 1.100 peak 295 spectrum 1 weight 0.10000E+01 volume 0.59175E-03 ppm1 1.806 ppm2 7.679 CV 1
ASSI { 296}
(( segid A and resid 299 and name HB3 ))
(( segid A and resid 303 and name HN ))
3.800 1.100 1.100 peak 296 spectrum 1 weight 0.10000E+01 volume 0.85950E-03 ppm1 1.542 ppm2 7.678 CV 1
ASSI { 297}
( segid A and resid 299 and name HD1%)
(( segid A and resid 303 and name HN ))
4.000 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.64827E-03 ppm1 1.095 ppm2 7.679 CV 1
ASSI { 298}
( segid A and resid 299 and name HD2%)
(( segid A and resid 303 and name HN ))
4.500 1.200 1.200 peak 298 spectrum 1 weight 0.10000E+01 volume 0.47887E-03 ppm1 0.885 ppm2 7.683 CV 1
ASSI { 302}
(( segid A and resid 300 and name HD3 ))
(( segid A and resid 303 and name HN ))
4.600 1.200 1.200 peak 302 spectrum 1 weight 0.10000E+01 volume 0.58001E-03 ppm1 2.779 ppm2 7.672 CV 1
ASSI { 303}
(( segid A and resid 300 and name HB2 ))
(( segid A and resid 303 and name HN ))
3.800 1.100 1.100 peak 303 spectrum 1 weight 0.10000E+01 volume 0.60266E-03 ppm1 1.901 ppm2 7.676 CV 1
ASSI { 304}
(( segid A and resid 310 and name HB ))
(( segid A and resid 312 and name HN ))
3.800 3.800 2.200 peak 304 spectrum 1 weight 0.10000E+01 volume 0.56926E-03 ppm1 4.618 ppm2 7.530 CV 1
ASSI { 306}
(( segid A and resid 313 and name HN ))
(( segid A and resid 312 and name HN ))
4.300 1.200 1.200 peak 306 spectrum 1 weight 0.10000E+01 volume 0.53409E-03 ppm1 8.603 ppm2 7.529 CV 1
ASSI { 309}
(( segid A and resid 312 and name HN ))
(( segid A and resid 311 and name HA1 ))
3.700 1.000 1.000 peak 309 spectrum 1 weight 0.11000E+01 volume 0.87470E-03 ppm1 7.530 ppm2 3.644 CV 1
ASSI { 312}
(( segid A and resid 312 and name HB3 ))
(( segid A and resid 312 and name HN ))
3.300 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.29889E-02 ppm1 1.727 ppm2 7.528 CV 1
OR { 312}
(( segid A and resid 312 and name HG3 ))
(( segid A and resid 312 and name HN ))
ASSI { 314}
(( segid A and resid 320 and name HN ))
(( segid A and resid 321 and name HN ))
2.400 0.800 0.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.61960E-02 ppm1 6.858 ppm2 7.533 CV 1
ASSI { 316}
(( segid A and resid 320 and name HA ))
(( segid A and resid 321 and name HN ))
3.300 1.000 1.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.14245E-02 ppm1 4.605 ppm2 7.531 CV 1
ASSI { 317}
(( segid A and resid 321 and name HA ))
(( segid A and resid 321 and name HN ))
2.400 0.800 0.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.56405E-02 ppm1 2.283 ppm2 7.531 CV 1
ASSI { 318}
(( segid A and resid 321 and name HB2 ))
(( segid A and resid 321 and name HN ))
3.500 1.000 1.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.11999E-02 ppm1 1.766 ppm2 7.533 CV 1
ASSI { 319}
(( segid A and resid 321 and name HG2 ))
(( segid A and resid 321 and name HN ))
3.300 1.000 1.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.19591E-02 ppm1 1.099 ppm2 7.534 CV 1
ASSI { 320}
(( segid A and resid 321 and name HN ))
(( segid A and resid 321 and name HG3 ))
3.200 0.900 0.900 peak 320 spectrum 1 weight 0.11000E+01 volume 0.14227E-02 ppm1 7.533 ppm2 0.919 CV 1
ASSI { 321}
(( segid A and resid 321 and name HB3 ))
(( segid A and resid 321 and name HN ))
3.900 3.900 2.100 peak 321 spectrum 1 weight 0.10000E+01 volume 0.10028E-02 ppm1 0.763 ppm2 7.532 CV 1
ASSI { 323}
(( segid A and resid 319 and name HD22))
(( segid A and resid 303 and name HD1 ))
3.200 0.900 0.900 peak 323 spectrum 1 weight 0.11000E+01 volume 0.10121E-02 ppm1 7.549 ppm2 7.103 CV 1
ASSI { 327}
(( segid A and resid 318 and name HB3 ))
(( segid A and resid 321 and name HN ))
4.400 1.200 1.200 peak 327 spectrum 1 weight 0.10000E+01 volume 0.45264E-03 ppm1 3.243 ppm2 7.534 CV 1
ASSI { 331}
(( segid A and resid 324 and name HE21))
(( segid A and resid 326 and name HN ))
3.900 1.100 1.100 peak 331 spectrum 1 weight 0.10000E+01 volume 0.59484E-03 ppm1 8.046 ppm2 7.446 CV 1
ASSI { 333}
( segid A and resid 315 and name HD% )
(( segid A and resid 326 and name HN ))
3.800 1.100 1.100 peak 333 spectrum 1 weight 0.10000E+01 volume 0.39856E-03 ppm1 7.093 ppm2 7.444 CV 1
ASSI { 334}
(( segid A and resid 325 and name HA ))
(( segid A and resid 326 and name HN ))
3.400 1.000 1.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.70038E-03 ppm1 5.214 ppm2 7.450 CV 1
ASSI { 337}
(( segid A and resid 325 and name HB2 ))
(( segid A and resid 326 and name HN ))
3.600 1.000 1.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.78458E-03 ppm1 3.584 ppm2 7.447 CV 1
ASSI { 338}
(( segid A and resid 325 and name HB3 ))
(( segid A and resid 326 and name HN ))
3.900 1.100 1.100 peak 338 spectrum 1 weight 0.10000E+01 volume 0.81716E-03 ppm1 3.011 ppm2 7.444 CV 1
ASSI { 340}
(( segid A and resid 324 and name HB2 ))
(( segid A and resid 326 and name HN ))
3.100 0.900 0.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.11401E-02 ppm1 2.686 ppm2 7.448 CV 1
ASSI { 342}
(( segid A and resid 324 and name HB3 ))
(( segid A and resid 326 and name HN ))
4.200 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.14982E-02 ppm1 2.259 ppm2 7.449 CV 1
ASSI { 344}
(( segid A and resid 333 and name HD21))
(( segid A and resid 333 and name HD22))
1.800 0.700 0.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.23336E-01 ppm1 6.803 ppm2 7.477 CV 1
ASSI { 345}
( segid A and resid 323 and name HG2%)
(( segid A and resid 322 and name HN ))
4.100 1.100 1.100 peak 345 spectrum 1 weight 0.10000E+01 volume 0.41762E-03 ppm1 1.245 ppm2 7.445 CV 1
ASSI { 347}
(( segid A and resid 320 and name HN ))
(( segid A and resid 322 and name HN ))
3.900 1.100 1.100 peak 347 spectrum 1 weight 0.10000E+01 volume 0.10657E-02 ppm1 6.856 ppm2 7.436 CV 1
ASSI { 348}
( segid B and resid 211 and name HE% )
(( segid A and resid 322 and name HN ))
4.200 1.100 1.100 peak 348 spectrum 1 weight 0.10000E+01 volume 0.41257E-03 ppm1 6.426 ppm2 7.436 CV 1
ASSI { 349}
(( segid A and resid 322 and name HA ))
(( segid A and resid 322 and name HN ))
2.700 0.800 0.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.34282E-02 ppm1 4.811 ppm2 7.435 CV 1
ASSI { 352}
(( segid A and resid 320 and name HB2 ))
(( segid A and resid 322 and name HN ))
3.600 1.000 1.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.77853E-03 ppm1 2.612 ppm2 7.436 CV 1
ASSI { 353}
(( segid A and resid 321 and name HA ))
(( segid A and resid 322 and name HN ))
2.500 0.800 0.800 peak 353 spectrum 1 weight 0.10000E+01 volume 0.51005E-02 ppm1 2.264 ppm2 7.435 CV 1
ASSI { 354}
(( segid A and resid 321 and name HB2 ))
(( segid A and resid 322 and name HN ))
4.500 1.200 1.200 peak 354 spectrum 1 weight 0.10000E+01 volume 0.43147E-03 ppm1 1.776 ppm2 7.434 CV 1
ASSI { 357}
(( segid A and resid 317 and name HB3 ))
(( segid A and resid 322 and name HN ))
3.100 0.900 0.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.12729E-02 ppm1 0.088 ppm2 7.434 CV 1
ASSI { 358}
(( segid A and resid 321 and name HB3 ))
(( segid A and resid 322 and name HN ))
4.600 4.600 1.400 peak 358 spectrum 1 weight 0.10000E+01 volume 0.45607E-03 ppm1 0.762 ppm2 7.438 CV 1
ASSI { 366}
( segid A and resid 326 and name HG2%)
(( segid A and resid 324 and name HE22))
4.000 1.100 1.100 peak 366 spectrum 1 weight 0.10000E+01 volume 0.95332E-03 ppm1 1.173 ppm2 7.250 CV 1
ASSI { 368}
(( segid A and resid 328 and name HG2 ))
(( segid A and resid 330 and name HN ))
4.700 1.200 1.200 peak 368 spectrum 1 weight 0.10000E+01 volume 0.39368E-03 ppm1 0.211 ppm2 7.230 CV 1
ASSI { 372}
(( segid A and resid 327 and name HB2 ))
(( segid A and resid 330 and name HN ))
4.400 1.200 1.200 peak 372 spectrum 1 weight 0.10000E+01 volume 0.11094E-02 ppm1 2.652 ppm2 7.216 CV 1
ASSI { 373}
(( segid A and resid 327 and name HB3 ))
(( segid A and resid 330 and name HN ))
3.600 1.000 1.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.47366E-03 ppm1 2.363 ppm2 7.222 CV 1
ASSI { 375}
(( segid A and resid 330 and name HB3 ))
(( segid A and resid 330 and name HN ))
3.000 0.900 0.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.55834E-02 ppm1 1.619 ppm2 7.219 CV 1
ASSI { 376}
(( segid A and resid 330 and name HG ))
(( segid A and resid 330 and name HN ))
2.600 0.800 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.43481E-02 ppm1 1.368 ppm2 7.219 CV 1
ASSI { 377}
(( segid A and resid 330 and name HN ))
( segid A and resid 326 and name HG2%)
3.900 1.100 1.100 peak 377 spectrum 1 weight 0.11000E+01 volume 0.70413E-03 ppm1 7.222 ppm2 1.176 CV 1
ASSI { 378}
( segid A and resid 330 and name HD1%)
(( segid A and resid 330 and name HN ))
3.700 1.000 1.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.18041E-02 ppm1 0.894 ppm2 7.219 CV 1
ASSI { 379}
( segid A and resid 330 and name HD2%)
(( segid A and resid 330 and name HN ))
3.700 1.000 1.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.15488E-02 ppm1 0.771 ppm2 7.219 CV 1
ASSI { 381}
(( segid A and resid 307 and name HD22))
(( segid A and resid 307 and name HD21))
1.700 0.600 0.600 peak 381 spectrum 1 weight 0.10000E+01 volume 0.28243E-01 ppm1 6.770 ppm2 7.049 CV 1
ASSI { 388}
(( segid A and resid 321 and name HN ))
(( segid A and resid 320 and name HD21))
4.800 1.300 1.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.27836E-03 ppm1 7.555 ppm2 6.925 CV 1
ASSI { 389}
(( segid A and resid 320 and name HA ))
(( segid A and resid 320 and name HD21))
4.800 1.300 1.200 peak 389 spectrum 1 weight 0.10000E+01 volume 0.43277E-03 ppm1 4.600 ppm2 6.922 CV 1
ASSI { 390}
(( segid A and resid 320 and name HB2 ))
(( segid A and resid 320 and name HD21))
2.600 0.800 0.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.23204E-02 ppm1 2.601 ppm2 6.923 CV 1
ASSI { 391}
(( segid A and resid 320 and name HD21))
( segid A and resid 322 and name HG2%)
4.100 1.100 1.100 peak 391 spectrum 1 weight 0.11000E+01 volume 0.43245E-03 ppm1 6.927 ppm2 0.962 CV 1
ASSI { 392}
(( segid A and resid 320 and name HD22))
(( segid A and resid 320 and name HD21))
1.700 0.600 0.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.30527E-01 ppm1 8.455 ppm2 6.921 CV 1
ASSI { 393}
(( segid A and resid 319 and name HB2 ))
(( segid A and resid 320 and name HD21))
3.600 1.000 1.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.81618E-03 ppm1 3.057 ppm2 6.924 CV 1
ASSI { 394}
(( segid A and resid 320 and name HB3 ))
(( segid A and resid 320 and name HD21))
3.300 1.000 1.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.30830E-02 ppm1 2.211 ppm2 6.921 CV 1
ASSI { 395}
(( segid A and resid 320 and name HN ))
(( segid A and resid 318 and name HN ))
4.600 1.200 1.200 peak 395 spectrum 1 weight 0.11000E+01 volume 0.41926E-03 ppm1 6.857 ppm2 8.781 CV 1
ASSI { 396}
(( segid A and resid 320 and name HN ))
(( segid A and resid 320 and name HD22))
3.000 0.900 0.900 peak 396 spectrum 1 weight 0.11000E+01 volume 0.50912E-02 ppm1 6.856 ppm2 8.475 CV 1
ASSI { 399}
(( segid A and resid 320 and name HA ))
(( segid A and resid 320 and name HN ))
3.000 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.22828E-02 ppm1 4.603 ppm2 6.856 CV 1
ASSI { 405}
(( segid A and resid 307 and name HD22))
(( segid A and resid 313 and name HA ))
4.100 1.100 1.100 peak 405 spectrum 1 weight 0.11000E+01 volume 0.60673E-03 ppm1 6.763 ppm2 4.590 CV 1
ASSI { 406}
(( segid A and resid 311 and name HA1 ))
(( segid A and resid 307 and name HD22))
4.600 1.200 1.200 peak 406 spectrum 1 weight 0.10000E+01 volume 0.40736E-03 ppm1 3.651 ppm2 6.764 CV 1
ASSI { 409}
(( segid A and resid 307 and name HD22))
( segid A and resid 313 and name HG1%)
3.800 1.100 1.100 peak 409 spectrum 1 weight 0.11000E+01 volume 0.77710E-03 ppm1 6.768 ppm2 0.741 CV 1
ASSI { 411}
(( segid A and resid 314 and name HA ))
(( segid A and resid 315 and name HN ))
2.400 0.800 0.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.48253E-02 ppm1 4.951 ppm2 9.076 CV 1
ASSI { 412}
(( segid A and resid 308 and name HA ))
(( segid A and resid 308 and name HN ))
2.900 0.900 0.900 peak 412 spectrum 1 weight 0.10000E+01 volume 0.20930E-02 ppm1 4.726 ppm2 9.581 CV 1
ASSI { 415}
(( segid A and resid 329 and name HE ))
(( segid A and resid 329 and name HB3 ))
3.100 0.900 0.900 peak 415 spectrum 1 weight 0.11000E+01 volume 0.16490E-02 ppm1 8.816 ppm2 1.533 CV 1
ASSI { 416}
(( segid A and resid 329 and name HE ))
(( segid A and resid 329 and name HG3 ))
3.600 1.000 1.000 peak 416 spectrum 1 weight 0.11000E+01 volume 0.10247E-02 ppm1 8.820 ppm2 1.767 CV 1
ASSI { 419}
(( segid A and resid 303 and name HN ))
(( segid A and resid 318 and name HN ))
4.200 1.100 1.100 peak 419 spectrum 1 weight 0.11000E+01 volume 0.36827E-03 ppm1 7.682 ppm2 8.773 CV 1
ASSI { 1}
(( segid A and resid 321 and name HB3 ))
( segid B and resid 211 and name HD% )
2.600 2.600 3.400 peak 1 spectrum 1 weight 0.99000E+00 volume 0.16938E-02 ppm1 0.731 ppm2 6.905 CV 1
ASSI { 8}
( segid A and resid 323 and name HG2%)
(( segid B and resid 209 and name HD2 ))
2.900 2.900 3.100 peak 8 spectrum 1 weight 0.99000E+00 volume 0.47860E-02 ppm1 1.253 ppm2 3.007 CV 1
ASSI { 9}
( segid A and resid 323 and name HG2%)
(( segid B and resid 211 and name HB2 ))
3.200 3.200 2.800 peak 9 spectrum 1 weight 0.99000E+00 volume 0.25013E-02 ppm1 1.253 ppm2 2.657 CV 1
ASSI { 11}
( segid A and resid 308 and name HG2%)
(( segid B and resid 216 and name HA ))
3.900 3.900 2.100 peak 11 spectrum 1 weight 0.99000E+00 volume 0.19965E-02 ppm1 1.456 ppm2 4.737 CV 1
ASSI { 12}
( segid A and resid 308 and name HG2%)
(( segid B and resid 207 and name HD3 ))
4.300 4.300 1.700 peak 12 spectrum 1 weight 0.99000E+00 volume 0.19903E-02 ppm1 1.458 ppm2 3.722 CV 1
ASSI { 13}
(( segid B and resid 209 and name HB3 ))
( segid A and resid 308 and name HG2%)
3.500 0.900 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.36623E-02 ppm1 2.261 ppm2 1.454 CV 1
ASSI { 15}
(( segid A and resid 316 and name HA ))
( segid A and resid 316 and name HG1%)
2.900 0.700 0.700 peak 15 spectrum 1 weight 0.10000E+01 volume 0.19264E-02 ppm1 4.267 ppm2 0.358 CV 1
ASSI { 16}
( segid A and resid 316 and name HG1%)
(( segid B and resid 213 and name HD3 ))
3.900 3.900 2.100 peak 16 spectrum 1 weight 0.99000E+00 volume 0.17527E-02 ppm1 0.361 ppm2 3.010 CV 1
OR { 16}
( segid A and resid 316 and name HG1%)
(( segid B and resid 213 and name HD2 ))
ASSI { 18}
( segid A and resid 316 and name HG2%)
( segid B and resid 211 and name HD% )
4.100 4.100 1.900 peak 18 spectrum 1 weight 0.99000E+00 volume 0.20516E-02 ppm1 0.587 ppm2 6.806 CV 1
ASSI { 20}
(( segid A and resid 317 and name HA ))
( segid A and resid 316 and name HG2%)
3.600 3.600 2.400 peak 20 spectrum 1 weight 0.10000E+01 volume 0.18290E-02 ppm1 3.540 ppm2 0.597 CV 1
ASSI { 22}
( segid A and resid 316 and name HG2%)
(( segid B and resid 211 and name HB2 ))
4.100 4.100 1.900 peak 22 spectrum 1 weight 0.99000E+00 volume 0.18925E-02 ppm1 0.584 ppm2 2.610 CV 1
ASSI { 29}
(( segid A and resid 316 and name HA ))
(( segid A and resid 306 and name HD2 ))
3.800 3.800 2.200 peak 29 spectrum 1 weight 0.10000E+01 volume 0.23698E-02 ppm1 4.322 ppm2 2.695 CV 1
ASSI { 30}
(( segid A and resid 306 and name HD3 ))
(( segid B and resid 215 and name HB2 ))
3.200 0.800 0.800 peak 30 spectrum 1 weight 0.99000E+00 volume 0.54297E-02 ppm1 3.103 ppm2 2.198 CV 1
ASSI { 31}
(( segid A and resid 306 and name HD2 ))
(( segid B and resid 215 and name HB3 ))
3.500 0.900 0.900 peak 31 spectrum 1 weight 0.99000E+00 volume 0.24036E-02 ppm1 2.700 ppm2 2.029 CV 1
ASSI { 32}
(( segid A and resid 320 and name HN ))
(( segid A and resid 321 and name HD3 ))
3.700 0.900 0.900 peak 32 spectrum 1 weight 0.10000E+01 volume 0.18155E-02 ppm1 6.817 ppm2 3.003 CV 1
OR { 32}
(( segid A and resid 320 and name HN ))
(( segid A and resid 321 and name HD2 ))
ASSI { 34}
( segid A and resid 309 and name HB% )
(( segid B and resid 217 and name HA ))
3.600 0.900 0.900 peak 34 spectrum 1 weight 0.99000E+00 volume 0.24891E-02 ppm1 1.586 ppm2 4.349 CV 1
ASSI { 39}
( segid A and resid 325 and name HD% )
(( segid B and resid 207 and name HD3 ))
3.500 0.900 0.900 peak 39 spectrum 1 weight 0.99000E+00 volume 0.21801E-02 ppm1 7.720 ppm2 3.651 CV 1
ASSI { 40}
( segid A and resid 325 and name HD% )
(( segid B and resid 207 and name HA ))
4.000 4.000 2.000 peak 40 spectrum 1 weight 0.99000E+00 volume 0.14569E-02 ppm1 7.726 ppm2 4.791 CV 1
ASSI { 41}
( segid A and resid 325 and name HE% )
(( segid B and resid 207 and name HD3 ))
3.700 0.900 0.900 peak 41 spectrum 1 weight 0.99000E+00 volume 0.21055E-02 ppm1 7.205 ppm2 3.721 CV 1
ASSI { 42}
( segid A and resid 325 and name HE% )
(( segid B and resid 207 and name HA ))
3.800 3.800 2.200 peak 42 spectrum 1 weight 0.99000E+00 volume 0.18785E-02 ppm1 7.201 ppm2 4.796 CV 1
ASSI { 44}
(( segid A and resid 321 and name HA ))
( segid B and resid 211 and name HD% )
2.900 2.900 3.100 peak 44 spectrum 1 weight 0.99000E+00 volume 0.22715E-02 ppm1 2.297 ppm2 6.749 CV 1
ASSI { 45}
( segid A and resid 314 and name HE% )
(( segid B and resid 209 and name HA ))
4.100 4.100 1.900 peak 45 spectrum 1 weight 0.99000E+00 volume 0.17596E-02 ppm1 6.320 ppm2 4.393 CV 1
ASSI { 46}
(( segid A and resid 306 and name HA ))
(( segid B and resid 215 and name HB3 ))
3.700 3.700 2.300 peak 46 spectrum 1 weight 0.99000E+00 volume 0.14099E-02 ppm1 4.443 ppm2 2.099 CV 1
ASSI { 47}
(( segid A and resid 306 and name HD3 ))
(( segid B and resid 215 and name HB3 ))
2.600 0.600 0.600 peak 47 spectrum 1 weight 0.99000E+00 volume 0.32270E-02 ppm1 3.098 ppm2 2.012 CV 1
ASSI { 48}
(( segid A and resid 306 and name HD2 ))
(( segid B and resid 215 and name HB2 ))
4.100 1.000 1.000 peak 48 spectrum 1 weight 0.99000E+00 volume 0.27349E-02 ppm1 2.703 ppm2 2.220 CV 1
ASSI { 49}
( segid A and resid 323 and name HG2%)
(( segid B and resid 210 and name HB2 ))
3.600 0.900 0.900 peak 49 spectrum 1 weight 0.99000E+00 volume 0.20998E-02 ppm1 1.254 ppm2 2.206 CV 1
ASSI { 51}
( segid A and resid 316 and name HG1%)
(( segid B and resid 210 and name HD2 ))
3.500 3.500 2.500 peak 51 spectrum 1 weight 0.99000E+00 volume 0.15342E-02 ppm1 0.367 ppm2 3.679 CV 1
ASSI { 1}
(( segid B and resid 209 and name HB3 ))
( segid A and resid 314 and name HD% )
4.000 4.000 2.000 peak 1 spectrum 1 weight 0.11000E+01 volume 0.18466E-02 ppm1 2.210 ppm2 6.843 CV 1
ASSI { 2}
(( segid B and resid 209 and name HB3 ))
( segid A and resid 325 and name HE% )
5.100 1.300 0.900 peak 2 spectrum 1 weight 0.11000E+01 volume 0.93926E-03 ppm1 2.221 ppm2 7.159 CV 1
ASSI { 4}
(( segid B and resid 209 and name HB2 ))
( segid A and resid 314 and name HD% )
3.800 0.900 0.900 peak 4 spectrum 1 weight 0.11000E+01 volume 0.12279E-02 ppm1 1.276 ppm2 6.839 CV 1
ASSI { 5}
(( segid B and resid 209 and name HB2 ))
( segid A and resid 325 and name HE% )
5.200 5.200 0.800 peak 5 spectrum 1 weight 0.11000E+01 volume 0.84793E-03 ppm1 1.266 ppm2 7.125 CV 1
ASSI { 6}
(( segid B and resid 207 and name HB3 ))
( segid A and resid 325 and name HE% )
3.700 0.900 0.900 peak 6 spectrum 1 weight 0.11000E+01 volume 0.15348E-02 ppm1 1.938 ppm2 7.172 CV 1
ASSI { 8}
(( segid B and resid 209 and name HB2 ))
(( segid B and resid 209 and name HB3 ))
2.500 2.500 3.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.15625E-02 ppm1 1.206 ppm2 2.220 CV 1
OR { 8}
(( segid B and resid 209 and name HG3 ))
(( segid B and resid 209 and name HB3 ))
ASSI { 11}
(( segid B and resid 213 and name HB2 ))
(( segid A and resid 318 and name HE1 ))
4.000 1.000 1.000 peak 11 spectrum 1 weight 0.11000E+01 volume 0.24755E-02 ppm1 1.750 ppm2 7.743 CV 1
ASSI { 12}
(( segid B and resid 213 and name HB3 ))
(( segid A and resid 318 and name HE1 ))
3.400 0.800 0.800 peak 12 spectrum 1 weight 0.11000E+01 volume 0.22126E-02 ppm1 1.483 ppm2 7.766 CV 1
ASSI { 13}
(( segid B and resid 209 and name HG2 ))
( segid A and resid 325 and name HE% )
4.200 1.100 1.100 peak 13 spectrum 1 weight 0.11000E+01 volume 0.13604E-02 ppm1 1.569 ppm2 7.147 CV 1
ASSI { 14}
(( segid B and resid 209 and name HG2 ))
( segid A and resid 314 and name HD% )
2.900 0.700 0.700 peak 14 spectrum 1 weight 0.11000E+01 volume 0.17140E-02 ppm1 1.579 ppm2 6.860 CV 1
ASSI { 15}
(( segid B and resid 209 and name HG2 ))
( segid A and resid 314 and name HE% )
2.500 0.600 0.600 peak 15 spectrum 1 weight 0.11000E+01 volume 0.26050E-02 ppm1 1.573 ppm2 6.305 CV 1
ASSI { 18}
(( segid B and resid 209 and name HG3 ))
(( segid B and resid 209 and name HG2 ))
2.600 2.600 3.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.10840E-02 ppm1 1.206 ppm2 1.574 CV 1
OR { 18}
(( segid B and resid 209 and name HB2 ))
(( segid B and resid 209 and name HG2 ))
ASSI { 22}
(( segid A and resid 306 and name HG2 ))
(( segid B and resid 215 and name HG3 ))
3.900 3.900 2.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.83833E-03 ppm1 1.539 ppm2 1.953 CV 1
OR { 22}
(( segid A and resid 306 and name HB2 ))
(( segid B and resid 215 and name HG3 ))
ASSI { 23}
(( segid B and resid 207 and name HG2 ))
(( segid A and resid 325 and name HB2 ))
3.500 3.500 2.500 peak 23 spectrum 1 weight 0.11000E+01 volume 0.22310E-02 ppm1 1.990 ppm2 3.579 CV 1
ASSI { 25}
(( segid B and resid 199 and name HA ))
(( segid B and resid 199 and name HG2 ))
4.300 1.100 1.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.12683E-02 ppm1 4.414 ppm2 2.003 CV 1
OR { 25}
(( segid B and resid 199 and name HA ))
(( segid B and resid 199 and name HG3 ))
ASSI { 26}
(( segid B and resid 210 and name HG2 ))
( segid A and resid 323 and name HG2%)
4.000 1.000 1.000 peak 26 spectrum 1 weight 0.11000E+01 volume 0.10960E-02 ppm1 1.909 ppm2 1.204 CV 1
ASSI { 27}
(( segid B and resid 208 and name HG3 ))
( segid A and resid 325 and name HD% )
2.800 2.800 3.200 peak 27 spectrum 1 weight 0.11000E+01 volume 0.10632E-02 ppm1 1.080 ppm2 7.661 CV 1
ASSI { 28}
(( segid B and resid 208 and name HG3 ))
( segid A and resid 325 and name HE% )
3.200 0.800 0.800 peak 28 spectrum 1 weight 0.11000E+01 volume 0.22186E-02 ppm1 1.084 ppm2 7.173 CV 1
ASSI { 29}
(( segid B and resid 208 and name HG3 ))
( segid A and resid 314 and name HD% )
4.200 1.100 1.100 peak 29 spectrum 1 weight 0.11000E+01 volume 0.10229E-02 ppm1 1.065 ppm2 6.817 CV 1
ASSI { 30}
(( segid B and resid 208 and name HG2 ))
( segid A and resid 325 and name HD% )
4.100 4.100 1.900 peak 30 spectrum 1 weight 0.11000E+01 volume 0.14707E-02 ppm1 1.530 ppm2 7.654 CV 1
ASSI { 31}
(( segid B and resid 208 and name HG2 ))
( segid A and resid 325 and name HE% )
4.000 1.000 1.000 peak 31 spectrum 1 weight 0.11000E+01 volume 0.23470E-02 ppm1 1.535 ppm2 7.158 CV 1
ASSI { 32}
(( segid B and resid 208 and name HG2 ))
( segid A and resid 314 and name HD% )
2.900 2.900 3.100 peak 32 spectrum 1 weight 0.11000E+01 volume 0.13454E-02 ppm1 1.538 ppm2 6.806 CV 1
ASSI { 33}
(( segid A and resid 324 and name HA ))
(( segid B and resid 208 and name HG2 ))
2.500 0.600 0.600 peak 33 spectrum 1 weight 0.10000E+01 volume 0.53089E-02 ppm1 4.858 ppm2 1.537 CV 1
ASSI { 41}
(( segid B and resid 208 and name HD2 ))
( segid A and resid 325 and name HD% )
3.700 0.900 0.900 peak 41 spectrum 1 weight 0.11000E+01 volume 0.25638E-02 ppm1 3.586 ppm2 7.689 CV 1
ASSI { 43}
(( segid B and resid 208 and name HD3 ))
( segid A and resid 325 and name HE% )
2.400 0.600 0.600 peak 43 spectrum 1 weight 0.11000E+01 volume 0.50433E-02 ppm1 3.412 ppm2 7.168 CV 1
ASSI { 46}
(( segid B and resid 208 and name HD3 ))
(( segid A and resid 323 and name HB ))
3.000 3.000 3.000 peak 46 spectrum 1 weight 0.11000E+01 volume 0.11312E-02 ppm1 3.406 ppm2 4.135 CV 1
ASSI { 48}
(( segid B and resid 198 and name HA1 ))
(( segid B and resid 199 and name HD3 ))
3.100 0.800 0.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.26266E-02 ppm1 3.965 ppm2 3.566 CV 1
OR { 48}
(( segid B and resid 198 and name HA1 ))
(( segid B and resid 199 and name HD2 ))
OR { 48}
(( segid B and resid 198 and name HA2 ))
(( segid B and resid 199 and name HD2 ))
OR { 48}
(( segid B and resid 198 and name HA2 ))
(( segid B and resid 199 and name HD3 ))
ASSI { 49}
(( segid B and resid 199 and name HG2 ))
(( segid B and resid 199 and name HD2 ))
3.000 3.000 3.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.25341E-02 ppm1 1.979 ppm2 3.568 CV 1
OR { 49}
(( segid B and resid 199 and name HG3 ))
(( segid B and resid 199 and name HD3 ))
OR { 49}
(( segid B and resid 199 and name HG3 ))
(( segid B and resid 199 and name HD2 ))
OR { 49}
(( segid B and resid 199 and name HG2 ))
(( segid B and resid 199 and name HD3 ))
OR { 49}
(( segid B and resid 199 and name HB3 ))
(( segid B and resid 199 and name HD3 ))
ASSI { 52}
(( segid B and resid 209 and name HD2 ))
( segid A and resid 325 and name HE% )
2.300 0.600 0.600 peak 52 spectrum 1 weight 0.11000E+01 volume 0.41438E-02 ppm1 3.029 ppm2 7.146 CV 1
ASSI { 53}
(( segid B and resid 209 and name HD2 ))
( segid A and resid 314 and name HD% )
3.000 0.700 0.700 peak 53 spectrum 1 weight 0.11000E+01 volume 0.14682E-02 ppm1 3.029 ppm2 6.829 CV 1
ASSI { 54}
(( segid B and resid 209 and name HD2 ))
( segid A and resid 314 and name HE% )
3.200 0.800 0.800 peak 54 spectrum 1 weight 0.11000E+01 volume 0.19786E-02 ppm1 3.036 ppm2 6.314 CV 1
ASSI { 55}
(( segid B and resid 209 and name HD2 ))
( segid A and resid 308 and name HG2%)
2.400 0.600 0.600 peak 55 spectrum 1 weight 0.11000E+01 volume 0.50701E-02 ppm1 3.033 ppm2 1.417 CV 1
ASSI { 57}
(( segid B and resid 209 and name HD3 ))
( segid A and resid 314 and name HE% )
4.400 1.100 1.100 peak 57 spectrum 1 weight 0.11000E+01 volume 0.84990E-03 ppm1 1.593 ppm2 6.298 CV 1
ASSI { 60}
(( segid A and resid 312 and name HG3 ))
( segid B and resid 204 and name HD2%)
3.500 0.900 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.16547E-02 ppm1 1.727 ppm2 0.828 CV 1
OR { 60}
(( segid A and resid 312 and name HG2 ))
( segid B and resid 204 and name HD2%)
OR { 60}
(( segid A and resid 312 and name HB3 ))
( segid B and resid 204 and name HD2%)
ASSI { 61}
(( segid B and resid 204 and name HG ))
( segid B and resid 204 and name HD2%)
3.400 3.400 2.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.11792E-02 ppm1 1.549 ppm2 0.824 CV 1
OR { 61}
(( segid B and resid 204 and name HB3 ))
( segid B and resid 204 and name HD2%)
OR { 61}
(( segid B and resid 204 and name HB2 ))
( segid B and resid 204 and name HD2%)
ASSI { 62}
( segid B and resid 211 and name HE% )
( segid A and resid 316 and name HG1%)
2.000 0.500 0.500 peak 62 spectrum 1 weight 0.11000E+01 volume 0.19575E-01 ppm1 6.386 ppm2 0.330 CV 1
ASSI { 63}
( segid B and resid 211 and name HE% )
(( segid A and resid 318 and name HE1 ))
2.500 0.600 0.600 peak 63 spectrum 1 weight 0.11000E+01 volume 0.39872E-02 ppm1 6.383 ppm2 7.742 CV 1
ASSI { 64}
( segid B and resid 211 and name HE% )
(( segid A and resid 318 and name HD2 ))
3.500 3.500 2.500 peak 64 spectrum 1 weight 0.11000E+01 volume 0.11694E-02 ppm1 6.384 ppm2 6.815 CV 1
ASSI { 68}
( segid B and resid 211 and name HE% )
(( segid A and resid 321 and name HB2 ))
3.800 0.900 0.900 peak 68 spectrum 1 weight 0.11000E+01 volume 0.27429E-02 ppm1 6.384 ppm2 1.765 CV 1
ASSI { 69}
( segid B and resid 211 and name HE% )
(( segid A and resid 321 and name HG2 ))
2.600 2.600 3.400 peak 69 spectrum 1 weight 0.11000E+01 volume 0.45589E-02 ppm1 6.385 ppm2 1.198 CV 1
ASSI { 70}
(( segid B and resid 213 and name HD2 ))
( segid A and resid 316 and name HG1%)
2.900 2.900 3.100 peak 70 spectrum 1 weight 0.11000E+01 volume 0.13107E-02 ppm1 2.929 ppm2 0.338 CV 1
ASSI { 71}
(( segid B and resid 213 and name HD2 ))
(( segid A and resid 318 and name HE1 ))
2.400 0.600 0.600 peak 71 spectrum 1 weight 0.11000E+01 volume 0.85481E-02 ppm1 2.934 ppm2 7.750 CV 1
ASSI { 72}
(( segid B and resid 217 and name HB3 ))
(( segid A and resid 308 and name HA ))
3.500 0.900 0.900 peak 72 spectrum 1 weight 0.11000E+01 volume 0.19395E-02 ppm1 2.684 ppm2 4.715 CV 1
ASSI { 73}
(( segid B and resid 217 and name HB2 ))
(( segid A and resid 308 and name HA ))
3.700 0.900 0.900 peak 73 spectrum 1 weight 0.11000E+01 volume 0.14554E-02 ppm1 2.539 ppm2 4.716 CV 1
ASSI { 76}
(( segid B and resid 217 and name HB2 ))
( segid A and resid 309 and name HB% )
3.700 0.900 0.900 peak 76 spectrum 1 weight 0.11000E+01 volume 0.12013E-02 ppm1 2.553 ppm2 1.541 CV 1
ASSI { 77}
(( segid B and resid 217 and name HB3 ))
( segid A and resid 309 and name HB% )
3.400 3.400 2.600 peak 77 spectrum 1 weight 0.11000E+01 volume 0.11858E-02 ppm1 2.678 ppm2 1.523 CV 1
ASSI { 78}
(( segid B and resid 215 and name HA ))
(( segid A and resid 306 and name HD3 ))
2.100 0.500 0.500 peak 78 spectrum 1 weight 0.11000E+01 volume 0.78050E-02 ppm1 4.225 ppm2 3.074 CV 1
ASSI { 79}
(( segid B and resid 215 and name HA ))
(( segid A and resid 306 and name HD2 ))
3.100 0.800 0.800 peak 79 spectrum 1 weight 0.11000E+01 volume 0.29925E-02 ppm1 4.221 ppm2 2.680 CV 1
ASSI { 80}
(( segid B and resid 215 and name HB2 ))
(( segid B and resid 215 and name HA ))
3.600 0.900 0.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.12501E-02 ppm1 2.204 ppm2 4.230 CV 1
OR { 80}
(( segid B and resid 215 and name HG2 ))
(( segid B and resid 215 and name HA ))
ASSI { 81}
(( segid B and resid 215 and name HA ))
(( segid A and resid 306 and name HB2 ))
3.900 1.000 1.000 peak 81 spectrum 1 weight 0.11000E+01 volume 0.15587E-02 ppm1 4.222 ppm2 1.513 CV 1
ASSI { 82}
(( segid B and resid 215 and name HA ))
(( segid A and resid 306 and name HG3 ))
4.600 1.200 1.200 peak 82 spectrum 1 weight 0.11000E+01 volume 0.11057E-02 ppm1 4.224 ppm2 1.024 CV 1
ASSI { 84}
(( segid B and resid 211 and name HB2 ))
(( segid A and resid 322 and name HB ))
3.900 1.000 1.000 peak 84 spectrum 1 weight 0.11000E+01 volume 0.25111E-02 ppm1 2.537 ppm2 4.154 CV 1
ASSI { 85}
(( segid B and resid 211 and name HB2 ))
( segid A and resid 322 and name HG2%)
2.700 2.700 3.300 peak 85 spectrum 1 weight 0.11000E+01 volume 0.21408E-02 ppm1 2.527 ppm2 0.961 CV 1
ASSI { 88}
(( segid B and resid 210 and name HA ))
( segid A and resid 323 and name HG2%)
2.500 0.600 0.600 peak 88 spectrum 1 weight 0.11000E+01 volume 0.61204E-02 ppm1 4.307 ppm2 1.205 CV 1
ASSI { 90}
(( segid B and resid 211 and name HA ))
( segid A and resid 323 and name HG2%)
2.000 2.000 4.000 peak 90 spectrum 1 weight 0.11000E+01 volume 0.14465E-01 ppm1 3.423 ppm2 1.200 CV 1
ASSI { 91}
(( segid A and resid 314 and name HB2 ))
(( segid B and resid 208 and name HA ))
3.700 0.900 0.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.10628E-02 ppm1 2.588 ppm2 4.113 CV 1
ASSI { 92}
(( segid B and resid 208 and name HA ))
( segid A and resid 308 and name HG2%)
3.000 0.800 0.800 peak 92 spectrum 1 weight 0.11000E+01 volume 0.56434E-02 ppm1 4.102 ppm2 1.422 CV 1
ASSI { 93}
(( segid B and resid 211 and name HA ))
( segid A and resid 314 and name HE% )
3.900 1.000 1.000 peak 93 spectrum 1 weight 0.11000E+01 volume 0.11737E-02 ppm1 3.417 ppm2 6.330 CV 1
ASSI { 94}
(( segid B and resid 211 and name HA ))
(( segid A and resid 323 and name HA ))
4.100 1.000 1.000 peak 94 spectrum 1 weight 0.11000E+01 volume 0.99089E-03 ppm1 3.404 ppm2 5.548 CV 1
ASSI { 95}
(( segid B and resid 208 and name HA ))
( segid A and resid 325 and name HD% )
3.200 3.200 2.800 peak 95 spectrum 1 weight 0.11000E+01 volume 0.20776E-02 ppm1 4.098 ppm2 7.663 CV 1
ASSI { 96}
(( segid B and resid 208 and name HA ))
( segid A and resid 325 and name HE% )
1.600 0.400 0.600 peak 96 spectrum 1 weight 0.11000E+01 volume 0.18140E-01 ppm1 4.097 ppm2 7.147 CV 1
ASSI { 97}
(( segid B and resid 208 and name HA ))
( segid A and resid 314 and name HD% )
3.600 0.900 0.900 peak 97 spectrum 1 weight 0.11000E+01 volume 0.19714E-02 ppm1 4.106 ppm2 6.834 CV 1
ASSI { 98}
(( segid B and resid 208 and name HA ))
( segid A and resid 314 and name HE% )
4.200 1.100 1.100 peak 98 spectrum 1 weight 0.11000E+01 volume 0.12597E-02 ppm1 4.101 ppm2 6.295 CV 1
ASSI { 99}
(( segid B and resid 211 and name HA ))
( segid A and resid 316 and name HG1%)
2.800 0.700 0.700 peak 99 spectrum 1 weight 0.11000E+01 volume 0.26074E-02 ppm1 3.433 ppm2 0.333 CV 1
ASSI { 100}
( segid B and resid 211 and name HD% )
( segid A and resid 316 and name HG1%)
1.900 0.500 0.500 peak 100 spectrum 1 weight 0.11000E+01 volume 0.14456E-01 ppm1 6.637 ppm2 0.330 CV 1
ASSI { 102}
( segid B and resid 211 and name HD% )
(( segid A and resid 321 and name HD2 ))
3.600 3.600 2.400 peak 102 spectrum 1 weight 0.11000E+01 volume 0.25195E-02 ppm1 6.635 ppm2 2.989 CV 1
OR { 102}
( segid B and resid 211 and name HD% )
(( segid A and resid 321 and name HD3 ))
ASSI { 104}
( segid B and resid 211 and name HD% )
( segid A and resid 323 and name HG2%)
2.100 2.100 3.900 peak 104 spectrum 1 weight 0.11000E+01 volume 0.92081E-02 ppm1 6.637 ppm2 1.199 CV 1
ASSI { 105}
(( segid B and resid 203 and name HG2 ))
( segid A and resid 325 and name HE% )
3.200 3.200 2.800 peak 105 spectrum 1 weight 0.11000E+01 volume 0.14885E-02 ppm1 2.246 ppm2 7.139 CV 1
ASSI { 106}
(( segid B and resid 213 and name HA ))
( segid A and resid 316 and name HG1%)
2.600 0.600 0.600 peak 106 spectrum 1 weight 0.11000E+01 volume 0.37711E-02 ppm1 3.938 ppm2 0.328 CV 1
ASSI { 107}
(( segid B and resid 213 and name HA ))
(( segid A and resid 318 and name HE1 ))
1.800 0.400 0.400 peak 107 spectrum 1 weight 0.11000E+01 volume 0.26149E-01 ppm1 3.942 ppm2 7.750 CV 1
ASSI { 108}
(( segid B and resid 205 and name HB2 ))
(( segid B and resid 205 and name HA ))
3.700 3.700 2.300 peak 108 spectrum 1 weight 0.10000E+01 volume 0.10301E-02 ppm1 2.005 ppm2 4.329 CV 1
OR { 108}
(( segid B and resid 205 and name HB3 ))
(( segid B and resid 205 and name HA ))
ASSI { 114}
(( segid B and resid 215 and name HB2 ))
(( segid A and resid 306 and name HB2 ))
3.200 3.200 2.800 peak 114 spectrum 1 weight 0.11000E+01 volume 0.73332E-03 ppm1 2.201 ppm2 1.518 CV 1
ASSI { 115}
(( segid B and resid 215 and name HB3 ))
(( segid A and resid 306 and name HB2 ))
4.400 1.100 1.100 peak 115 spectrum 1 weight 0.11000E+01 volume 0.81444E-03 ppm1 2.040 ppm2 1.548 CV 1
ASSI { 116}
(( segid B and resid 215 and name HB2 ))
(( segid A and resid 306 and name HG3 ))
3.100 3.100 2.900 peak 116 spectrum 1 weight 0.11000E+01 volume 0.87969E-03 ppm1 2.194 ppm2 0.994 CV 1
ASSI { 117}
(( segid B and resid 210 and name HB3 ))
( segid A and resid 323 and name HG2%)
3.900 1.000 1.000 peak 117 spectrum 1 weight 0.11000E+01 volume 0.18468E-02 ppm1 1.802 ppm2 1.204 CV 1
ASSI { 118}
(( segid B and resid 209 and name HA ))
(( segid B and resid 210 and name HB2 ))
4.900 4.900 1.100 peak 118 spectrum 1 weight 0.10000E+01 volume 0.12166E-02 ppm1 4.431 ppm2 2.256 CV 1
ASSI { 119}
(( segid B and resid 213 and name HG2 ))
(( segid A and resid 318 and name HE1 ))
2.800 0.700 0.700 peak 119 spectrum 1 weight 0.11000E+01 volume 0.19475E-02 ppm1 1.130 ppm2 7.753 CV 1
ASSI { 120}
(( segid B and resid 213 and name HG3 ))
(( segid A and resid 318 and name HE1 ))
4.100 1.000 1.000 peak 120 spectrum 1 weight 0.11000E+01 volume 0.16826E-02 ppm1 0.765 ppm2 7.752 CV 1
ASSI { 122}
( segid A and resid 325 and name HE% )
( segid B and resid 204 and name HD2%)
3.200 0.800 0.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.10377E-02 ppm1 7.171 ppm2 0.833 CV 1
ASSI { 123}
( segid A and resid 325 and name HD% )
( segid B and resid 204 and name HD2%)
3.100 3.100 2.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.10189E-02 ppm1 7.650 ppm2 0.836 CV 1
ASSI { 124}
(( segid A and resid 325 and name HB2 ))
( segid B and resid 204 and name HD2%)
3.700 0.900 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.84362E-03 ppm1 3.557 ppm2 0.825 CV 1
ASSI { 126}
(( segid B and resid 215 and name HB3 ))
(( segid A and resid 306 and name HG3 ))
4.300 4.300 1.700 peak 126 spectrum 1 weight 0.11000E+01 volume 0.92285E-03 ppm1 2.034 ppm2 0.990 CV 1
ASSI { 127}
(( segid B and resid 209 and name HB2 ))
( segid A and resid 323 and name HG2%)
3.100 3.100 2.900 peak 127 spectrum 1 weight 0.11000E+01 volume 0.13847E-02 ppm1 1.254 ppm2 1.182 CV 1
ASSI { 128}
(( segid B and resid 209 and name HB2 ))
( segid A and resid 308 and name HG2%)
4.200 1.100 1.100 peak 128 spectrum 1 weight 0.11000E+01 volume 0.26253E-02 ppm1 1.266 ppm2 1.424 CV 1
ASSI { 129}
(( segid B and resid 207 and name HB2 ))
( segid A and resid 325 and name HE% )
2.900 0.700 0.700 peak 129 spectrum 1 weight 0.11000E+01 volume 0.10847E-02 ppm1 2.352 ppm2 7.170 CV 1
ASSI { 130}
(( segid B and resid 207 and name HA ))
(( segid B and resid 207 and name HB3 ))
3.300 3.300 2.700 peak 130 spectrum 1 weight 0.10000E+01 volume 0.95801E-03 ppm1 4.892 ppm2 1.937 CV 1
ASSI { 131}
(( segid B and resid 209 and name HG3 ))
( segid A and resid 314 and name HE% )
2.600 0.600 0.600 peak 131 spectrum 1 weight 0.11000E+01 volume 0.32454E-02 ppm1 1.177 ppm2 6.312 CV 1
ASSI { 132}
(( segid B and resid 209 and name HG3 ))
( segid A and resid 314 and name HD% )
3.400 0.900 0.900 peak 132 spectrum 1 weight 0.11000E+01 volume 0.13338E-02 ppm1 1.186 ppm2 6.806 CV 1
ASSI { 133}
(( segid B and resid 209 and name HG3 ))
( segid A and resid 325 and name HE% )
4.500 1.100 1.100 peak 133 spectrum 1 weight 0.11000E+01 volume 0.12779E-02 ppm1 1.190 ppm2 7.154 CV 1
ASSI { 134}
(( segid B and resid 209 and name HG3 ))
( segid A and resid 323 and name HG2%)
4.500 4.500 1.500 peak 134 spectrum 1 weight 0.11000E+01 volume 0.11076E-02 ppm1 1.171 ppm2 1.200 CV 1
ASSI { 135}
(( segid B and resid 208 and name HD2 ))
(( segid A and resid 323 and name HB ))
3.000 3.000 3.000 peak 135 spectrum 1 weight 0.11000E+01 volume 0.10425E-02 ppm1 3.589 ppm2 4.196 CV 1
ASSI { 137}
(( segid A and resid 312 and name HD3 ))
( segid B and resid 204 and name HD2%)
3.400 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.13569E-02 ppm1 2.802 ppm2 0.832 CV 1
ASSI { 138}
(( segid B and resid 211 and name HB2 ))
(( segid A and resid 321 and name HB2 ))
3.900 1.000 1.000 peak 138 spectrum 1 weight 0.11000E+01 volume 0.12813E-02 ppm1 2.527 ppm2 1.781 CV 1
ASSI { 139}
( segid B and resid 211 and name HD% )
(( segid A and resid 318 and name HE1 ))
3.900 1.000 1.000 peak 139 spectrum 1 weight 0.11000E+01 volume 0.96731E-03 ppm1 6.649 ppm2 7.731 CV 1
ASSI { 140}
( segid B and resid 211 and name HD% )
(( segid A and resid 318 and name HD2 ))
4.000 4.000 2.000 peak 140 spectrum 1 weight 0.11000E+01 volume 0.10178E-02 ppm1 6.634 ppm2 6.829 CV 1
ASSI { 141}
(( segid A and resid 312 and name HD3 ))
(( segid B and resid 208 and name HA ))
5.600 1.400 0.400 peak 141 spectrum 1 weight 0.10000E+01 volume 0.61362E-03 ppm1 2.734 ppm2 4.108 CV 1
ASSI { 142}
( segid A and resid 325 and name HE% )
(( segid B and resid 208 and name HB3 ))
3.200 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.13270E-02 ppm1 7.154 ppm2 0.672 CV 1
ASSI { 143}
(( segid A and resid 314 and name HB2 ))
(( segid B and resid 208 and name HB3 ))
2.600 0.600 0.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.95710E-03 ppm1 2.572 ppm2 0.651 CV 1
ASSI { 144}
(( segid A and resid 314 and name HB2 ))
(( segid B and resid 208 and name HB2 ))
3.900 1.000 1.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.11949E-02 ppm1 2.573 ppm2 1.237 CV 1
ASSI { 146}
(( segid A and resid 325 and name HA ))
(( segid B and resid 208 and name HB2 ))
5.100 5.100 0.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.83357E-03 ppm1 5.131 ppm2 1.242 CV 1
ASSI { 147}
( segid A and resid 314 and name HE% )
(( segid B and resid 208 and name HB2 ))
4.000 4.000 2.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.17158E-02 ppm1 6.304 ppm2 1.232 CV 1
ASSI { 148}
( segid A and resid 314 and name HD% )
(( segid B and resid 208 and name HB2 ))
3.400 0.900 0.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.23873E-02 ppm1 6.833 ppm2 1.242 CV 1
ASSI { 149}
( segid A and resid 325 and name HE% )
(( segid B and resid 208 and name HB2 ))
3.800 0.900 0.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.29473E-02 ppm1 7.155 ppm2 1.236 CV 1
ASSI { 150}
( segid A and resid 308 and name HG2%)
(( segid B and resid 208 and name HB2 ))
4.400 1.100 1.100 peak 150 spectrum 1 weight 0.10000E+01 volume 0.20174E-02 ppm1 1.418 ppm2 1.241 CV 1
ASSI { 151}
(( segid B and resid 213 and name HG3 ))
( segid B and resid 216 and name HE% )
4.100 4.100 1.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.14549E-02 ppm1 0.879 ppm2 2.070 CV 1
ASSI { 154}
( segid A and resid 325 and name HE% )
(( segid B and resid 207 and name HG2 ))
3.000 0.800 0.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.11063E-02 ppm1 7.172 ppm2 1.983 CV 1
OR { 154}
( segid A and resid 325 and name HE% )
(( segid B and resid 207 and name HG3 ))
ASSI { 155}
( segid A and resid 314 and name HE% )
(( segid B and resid 215 and name HA ))
3.600 0.900 0.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.93442E-03 ppm1 6.333 ppm2 4.225 CV 1
! ambiguous NOEs assigned by ARIA1.2
ASSI { 7}
(( segid A and resid 301 and name HD2 ))
(( segid A and resid 303 and name HD1 ))
5.000 1.300 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.53801E-03 ppm1 3.899 ppm2 7.099 CV 1
OR { 7}
(( segid A and resid 302 and name HA1 ))
(( segid A and resid 303 and name HD1 ))
ASSI { 8}
(( segid A and resid 300 and name HD2 ))
(( segid A and resid 303 and name HD1 ))
2.600 0.800 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.29849E-02 ppm1 3.286 ppm2 7.105 CV 1
OR { 8}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 303 and name HD1 ))
ASSI { 21}
(( segid A and resid 303 and name HH2 ))
(( segid A and resid 328 and name HB3 ))
3.600 1.000 1.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.92920E-03 ppm1 7.053 ppm2 0.890 CV 1
OR { 21}
( segid A and resid 315 and name HD% )
(( segid A and resid 328 and name HB3 ))
ASSI { 25}
( segid A and resid 315 and name HD% )
(( segid A and resid 328 and name HB2 ))
4.500 1.200 1.200 peak 25 spectrum 1 weight 0.10000E+01 volume 0.66739E-03 ppm1 7.056 ppm2 0.821 CV 1
OR { 25}
(( segid A and resid 303 and name HH2 ))
(( segid A and resid 328 and name HB2 ))
ASSI { 27}
(( segid A and resid 328 and name HD2 ))
(( segid A and resid 328 and name HB3 ))
3.700 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.18254E-02 ppm1 2.778 ppm2 0.891 CV 1
OR { 27}
(( segid A and resid 300 and name HD3 ))
(( segid A and resid 328 and name HB3 ))
ASSI { 31}
(( segid A and resid 300 and name HD2 ))
(( segid A and resid 328 and name HB3 ))
4.300 1.200 1.200 peak 31 spectrum 1 weight 0.10000E+01 volume 0.63020E-03 ppm1 3.316 ppm2 0.885 CV 1
OR { 31}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 328 and name HB3 ))
ASSI { 32}
(( segid A and resid 300 and name HD3 ))
(( segid A and resid 328 and name HB2 ))
3.700 1.000 1.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.13092E-02 ppm1 2.772 ppm2 0.828 CV 1
OR { 32}
(( segid A and resid 328 and name HD2 ))
(( segid A and resid 328 and name HB2 ))
ASSI { 36}
(( segid A and resid 300 and name HD2 ))
(( segid A and resid 328 and name HB2 ))
4.100 1.100 1.100 peak 36 spectrum 1 weight 0.10000E+01 volume 0.43372E-03 ppm1 3.317 ppm2 0.801 CV 1
OR { 36}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 328 and name HB2 ))
ASSI { 50}
( segid A and resid 315 and name HD% )
(( segid A and resid 303 and name HB3 ))
3.300 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 7.103 ppm2 3.279 CV 1
OR { 50}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 303 and name HB3 ))
ASSI { 60}
( segid A and resid 315 and name HD% )
(( segid A and resid 324 and name HB2 ))
4.200 1.100 1.100 peak 60 spectrum 1 weight 0.10000E+01 volume 0.55847E-03 ppm1 7.061 ppm2 2.686 CV 1
OR { 60}
(( segid A and resid 303 and name HH2 ))
(( segid A and resid 324 and name HB2 ))
ASSI { 67}
(( segid A and resid 303 and name HH2 ))
(( segid A and resid 324 and name HB3 ))
4.600 1.200 1.200 peak 67 spectrum 1 weight 0.10000E+01 volume 0.47109E-03 ppm1 7.054 ppm2 2.261 CV 1
OR { 67}
( segid A and resid 315 and name HD% )
(( segid A and resid 324 and name HB3 ))
ASSI { 74}
(( segid A and resid 303 and name HH2 ))
(( segid A and resid 324 and name HG3 ))
4.100 1.100 1.100 peak 74 spectrum 1 weight 0.10000E+01 volume 0.86010E-03 ppm1 7.060 ppm2 2.526 CV 1
OR { 74}
( segid A and resid 315 and name HD% )
(( segid A and resid 324 and name HG3 ))
ASSI { 79}
(( segid A and resid 328 and name HD2 ))
(( segid A and resid 303 and name HB3 ))
3.800 1.100 1.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.13460E-02 ppm1 2.766 ppm2 3.283 CV 1
OR { 79}
(( segid A and resid 300 and name HD3 ))
(( segid A and resid 303 and name HB3 ))
ASSI { 84}
( segid A and resid 299 and name HD2%)
(( segid A and resid 303 and name HB3 ))
3.500 1.000 1.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.10734E-02 ppm1 0.861 ppm2 3.286 CV 1
OR { 84}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 303 and name HB3 ))
OR { 84}
(( segid A and resid 328 and name HB2 ))
(( segid A and resid 303 and name HB3 ))
ASSI { 85}
( segid A and resid 299 and name HD2%)
(( segid A and resid 303 and name HB2 ))
3.600 1.000 1.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.13382E-02 ppm1 0.860 ppm2 3.157 CV 1
OR { 85}
(( segid A and resid 328 and name HB2 ))
(( segid A and resid 303 and name HB2 ))
OR { 85}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 303 and name HB2 ))
ASSI { 112}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 303 and name HA ))
3.900 1.100 1.100 peak 112 spectrum 1 weight 0.10000E+01 volume 0.70726E-03 ppm1 7.100 ppm2 6.111 CV 1
OR { 112}
( segid A and resid 315 and name HD% )
(( segid A and resid 303 and name HA ))
ASSI { 114}
(( segid A and resid 302 and name HA2 ))
(( segid A and resid 303 and name HA ))
3.800 1.100 1.100 peak 114 spectrum 1 weight 0.10000E+01 volume 0.72043E-03 ppm1 4.269 ppm2 6.096 CV 1
OR { 114}
(( segid A and resid 316 and name HA ))
(( segid A and resid 303 and name HA ))
OR { 114}
(( segid A and resid 318 and name HA ))
(( segid A and resid 303 and name HA ))
ASSI { 119}
(( segid A and resid 316 and name HB ))
(( segid A and resid 303 and name HA ))
4.100 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.70174E-03 ppm1 1.817 ppm2 6.103 CV 1
OR { 119}
(( segid A and resid 299 and name HB2 ))
(( segid A and resid 303 and name HA ))
ASSI { 123}
(( segid A and resid 304 and name HB3 ))
(( segid A and resid 303 and name HA ))
4.500 1.200 1.200 peak 123 spectrum 1 weight 0.10000E+01 volume 0.45596E-03 ppm1 1.954 ppm2 6.115 CV 1
OR { 123}
(( segid A and resid 300 and name HB2 ))
(( segid A and resid 303 and name HA ))
ASSI { 125}
(( segid A and resid 321 and name HN ))
(( segid A and resid 319 and name HA ))
3.900 1.100 1.100 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10207E-02 ppm1 7.539 ppm2 4.368 CV 1
OR { 125}
(( segid A and resid 319 and name HD22))
(( segid A and resid 319 and name HA ))
ASSI { 147}
(( segid A and resid 293 and name HD3 ))
(( segid A and resid 293 and name HB2 ))
3.200 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.39258E-02 ppm1 3.606 ppm2 2.301 CV 1
OR { 147}
(( segid A and resid 298 and name HD2 ))
(( segid A and resid 298 and name HB2 ))
OR { 147}
(( segid A and resid 293 and name HD2 ))
(( segid A and resid 293 and name HB2 ))
OR { 147}
(( segid A and resid 298 and name HD3 ))
(( segid A and resid 298 and name HB2 ))
ASSI { 151}
(( segid A and resid 293 and name HB3 ))
(( segid A and resid 293 and name HB2 ))
1.700 0.600 0.600 peak 151 spectrum 1 weight 0.10000E+01 volume 0.36664E-01 ppm1 2.002 ppm2 2.305 CV 1
OR { 151}
(( segid A and resid 298 and name HG2 ))
(( segid A and resid 298 and name HB2 ))
OR { 151}
(( segid A and resid 293 and name HG3 ))
(( segid A and resid 293 and name HB2 ))
OR { 151}
(( segid A and resid 293 and name HG2 ))
(( segid A and resid 293 and name HB2 ))
ASSI { 156}
(( segid A and resid 329 and name HD3 ))
(( segid A and resid 329 and name HA ))
3.600 1.000 1.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.20782E-02 ppm1 2.774 ppm2 3.910 CV 1
OR { 156}
(( segid A and resid 329 and name HD2 ))
(( segid A and resid 329 and name HA ))
OR { 156}
(( segid A and resid 300 and name HD3 ))
(( segid A and resid 329 and name HA ))
ASSI { 162}
(( segid A and resid 330 and name HG ))
(( segid A and resid 329 and name HA ))
3.400 1.000 1.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.46558E-03 ppm1 1.366 ppm2 3.907 CV 1
OR { 162}
( segid A and resid 332 and name HB% )
(( segid A and resid 329 and name HA ))
ASSI { 163}
( segid A and resid 299 and name HD2%)
(( segid A and resid 329 and name HA ))
3.900 1.100 1.100 peak 163 spectrum 1 weight 0.10000E+01 volume 0.11500E-02 ppm1 0.878 ppm2 3.910 CV 1
OR { 163}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 329 and name HA ))
ASSI { 180}
(( segid A and resid 306 and name HB2 ))
(( segid A and resid 315 and name HA ))
3.900 1.100 1.100 peak 180 spectrum 1 weight 0.10000E+01 volume 0.61169E-03 ppm1 1.513 ppm2 5.168 CV 1
OR { 180}
(( segid A and resid 305 and name HG12))
(( segid A and resid 315 and name HA ))
OR { 180}
(( segid A and resid 305 and name HB ))
(( segid A and resid 315 and name HA ))
ASSI { 181}
( segid A and resid 299 and name HD1%)
(( segid A and resid 315 and name HA ))
4.000 1.100 1.100 peak 181 spectrum 1 weight 0.10000E+01 volume 0.56435E-03 ppm1 1.060 ppm2 5.167 CV 1
OR { 181}
(( segid A and resid 306 and name HG3 ))
(( segid A and resid 315 and name HA ))
ASSI { 182}
(( segid A and resid 305 and name HG13))
(( segid A and resid 315 and name HA ))
4.000 1.100 1.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.85746E-03 ppm1 0.895 ppm2 5.165 CV 1
OR { 182}
( segid A and resid 299 and name HD2%)
(( segid A and resid 315 and name HA ))
OR { 182}
( segid A and resid 305 and name HD1%)
(( segid A and resid 315 and name HA ))
ASSI { 188}
(( segid A and resid 312 and name HA ))
(( segid A and resid 313 and name HB ))
4.000 1.100 1.100 peak 188 spectrum 1 weight 0.10000E+01 volume 0.13362E-02 ppm1 4.436 ppm2 1.963 CV 1
OR { 188}
(( segid A and resid 305 and name HA ))
(( segid A and resid 313 and name HB ))
ASSI { 219}
(( segid A and resid 318 and name HD2 ))
(( segid A and resid 316 and name HB ))
4.100 1.100 1.100 peak 219 spectrum 1 weight 0.10000E+01 volume 0.50633E-03 ppm1 6.885 ppm2 1.813 CV 1
OR { 219}
( segid A and resid 314 and name HD% )
(( segid A and resid 316 and name HB ))
ASSI { 256}
(( segid A and resid 306 and name HG3 ))
(( segid A and resid 304 and name HG2 ))
3.700 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.57627E-03 ppm1 1.057 ppm2 2.468 CV 1
OR { 256}
( segid A and resid 299 and name HD1%)
(( segid A and resid 304 and name HG2 ))
ASSI { 265}
(( segid A and resid 316 and name HB ))
(( segid A and resid 304 and name HG2 ))
4.400 1.200 1.200 peak 265 spectrum 1 weight 0.10000E+01 volume 0.54762E-03 ppm1 1.805 ppm2 2.463 CV 1
OR { 265}
(( segid A and resid 299 and name HB2 ))
(( segid A and resid 304 and name HG2 ))
ASSI { 273}
(( segid A and resid 305 and name HA ))
(( segid A and resid 304 and name HG3 ))
4.500 1.200 1.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.48302E-03 ppm1 4.459 ppm2 2.183 CV 1
OR { 273}
(( segid A and resid 306 and name HA ))
(( segid A and resid 304 and name HG3 ))
ASSI { 275}
( segid A and resid 299 and name HD1%)
(( segid A and resid 304 and name HG3 ))
4.100 1.100 1.100 peak 275 spectrum 1 weight 0.10000E+01 volume 0.76938E-03 ppm1 1.050 ppm2 2.183 CV 1
OR { 275}
(( segid A and resid 306 and name HG3 ))
(( segid A and resid 304 and name HG3 ))
ASSI { 280}
(( segid A and resid 322 and name HN ))
(( segid A and resid 323 and name HA ))
4.100 1.100 1.100 peak 280 spectrum 1 weight 0.10000E+01 volume 0.46717E-03 ppm1 7.423 ppm2 5.575 CV 1
OR { 280}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 323 and name HA ))
ASSI { 285}
(( segid A and resid 317 and name HB2 ))
(( segid A and resid 323 and name HA ))
4.000 1.100 1.100 peak 285 spectrum 1 weight 0.10000E+01 volume 0.65529E-03 ppm1 2.250 ppm2 5.571 CV 1
OR { 285}
(( segid A and resid 324 and name HB3 ))
(( segid A and resid 323 and name HA ))
ASSI { 298}
(( segid A and resid 325 and name HB3 ))
(( segid A and resid 325 and name HA ))
2.600 0.800 0.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.49043E-02 ppm1 3.025 ppm2 5.212 CV 1
OR { 298}
(( segid A and resid 314 and name HB3 ))
(( segid A and resid 325 and name HA ))
ASSI { 303}
( segid A and resid 299 and name HD2%)
( segid A and resid 315 and name HE% )
2.900 2.900 3.100 peak 303 spectrum 1 weight 0.10000E+01 volume 0.19226E-02 ppm1 0.896 ppm2 7.240 CV 1
OR { 303}
( segid A and resid 305 and name HD1%)
( segid A and resid 315 and name HE% )
ASSI { 305}
(( segid A and resid 314 and name HB3 ))
( segid A and resid 325 and name HE% )
2.600 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.16772E-02 ppm1 3.030 ppm2 7.182 CV 1
OR { 305}
(( segid B and resid 209 and name HD2 ))
( segid A and resid 325 and name HE% )
ASSI { 306}
(( segid B and resid 208 and name HD2 ))
( segid A and resid 325 and name HE% )
4.300 1.200 1.200 peak 306 spectrum 1 weight 0.10000E+01 volume 0.54939E-03 ppm1 3.599 ppm2 7.195 CV 1
OR { 306}
(( segid A and resid 325 and name HB2 ))
( segid A and resid 325 and name HE% )
ASSI { 316}
(( segid A and resid 314 and name HB3 ))
( segid A and resid 325 and name HD% )
2.300 0.800 0.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.60526E-02 ppm1 3.028 ppm2 7.714 CV 1
OR { 316}
(( segid A and resid 325 and name HB3 ))
( segid A and resid 325 and name HD% )
ASSI { 324}
(( segid A and resid 328 and name HD3 ))
( segid A and resid 315 and name HD% )
3.400 1.000 1.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.16121E-02 ppm1 2.607 ppm2 7.060 CV 1
OR { 324}
(( segid A and resid 314 and name HB2 ))
( segid A and resid 315 and name HD% )
ASSI { 325}
(( segid A and resid 305 and name HG12))
( segid A and resid 315 and name HD% )
3.300 1.000 1.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.84378E-03 ppm1 1.500 ppm2 7.060 CV 1
OR { 325}
(( segid A and resid 299 and name HB3 ))
( segid A and resid 315 and name HD% )
ASSI { 328}
( segid A and resid 305 and name HG2%)
( segid A and resid 315 and name HD% )
3.700 1.000 1.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.90478E-03 ppm1 0.737 ppm2 7.063 CV 1
OR { 328}
( segid A and resid 313 and name HG1%)
( segid A and resid 315 and name HD% )
ASSI { 332}
(( segid A and resid 315 and name HA ))
( segid A and resid 314 and name HD% )
3.900 1.100 1.100 peak 332 spectrum 1 weight 0.10000E+01 volume 0.68394E-03 ppm1 5.185 ppm2 6.840 CV 1
OR { 332}
(( segid A and resid 325 and name HA ))
( segid A and resid 314 and name HD% )
ASSI { 336}
(( segid A and resid 314 and name HB3 ))
( segid A and resid 314 and name HD% )
2.300 0.800 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.46787E-02 ppm1 3.041 ppm2 6.848 CV 1
OR { 336}
(( segid B and resid 209 and name HD2 ))
( segid A and resid 314 and name HD% )
ASSI { 339}
( segid A and resid 323 and name HG2%)
( segid A and resid 314 and name HD% )
2.800 0.900 0.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.22784E-02 ppm1 1.247 ppm2 6.850 CV 1
OR { 339}
(( segid B and resid 208 and name HB2 ))
( segid A and resid 314 and name HD% )
ASSI { 340}
( segid A and resid 313 and name HG2%)
( segid A and resid 314 and name HD% )
4.200 1.100 1.100 peak 340 spectrum 1 weight 0.10000E+01 volume 0.59033E-03 ppm1 1.022 ppm2 6.855 CV 1
OR { 340}
(( segid A and resid 306 and name HG3 ))
( segid A and resid 314 and name HD% )
ASSI { 341}
( segid A and resid 313 and name HG1%)
( segid A and resid 314 and name HD% )
4.200 1.100 1.100 peak 341 spectrum 1 weight 0.10000E+01 volume 0.55314E-03 ppm1 0.745 ppm2 6.850 CV 1
OR { 341}
( segid A and resid 305 and name HG2%)
( segid A and resid 314 and name HD% )
ASSI { 349}
( segid A and resid 315 and name HD% )
( segid A and resid 314 and name HD% )
4.200 1.100 1.100 peak 349 spectrum 1 weight 0.10000E+01 volume 0.63234E-03 ppm1 7.055 ppm2 6.842 CV 1
OR { 349}
(( segid A and resid 307 and name HD21))
( segid A and resid 314 and name HD% )
ASSI { 355}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 303 and name HZ2 ))
4.300 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.50686E-03 ppm1 3.302 ppm2 7.382 CV 1
OR { 355}
(( segid A and resid 300 and name HD2 ))
(( segid A and resid 303 and name HZ2 ))
OR { 355}
(( segid A and resid 315 and name HB2 ))
(( segid A and resid 303 and name HZ2 ))
ASSI { 356}
(( segid A and resid 303 and name HB2 ))
(( segid A and resid 303 and name HZ2 ))
4.400 4.400 1.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.48622E-03 ppm1 3.187 ppm2 7.389 CV 1
OR { 356}
(( segid A and resid 315 and name HB3 ))
(( segid A and resid 303 and name HZ2 ))
ASSI { 357}
(( segid A and resid 320 and name HB2 ))
(( segid A and resid 303 and name HZ2 ))
4.000 1.100 1.100 peak 357 spectrum 1 weight 0.10000E+01 volume 0.52306E-03 ppm1 2.602 ppm2 7.400 CV 1
OR { 357}
(( segid A and resid 319 and name HB3 ))
(( segid A and resid 303 and name HZ2 ))
ASSI { 358}
(( segid A and resid 317 and name HB2 ))
(( segid A and resid 303 and name HZ2 ))
3.900 1.100 1.100 peak 358 spectrum 1 weight 0.10000E+01 volume 0.65707E-03 ppm1 2.241 ppm2 7.390 CV 1
OR { 358}
(( segid A and resid 320 and name HB3 ))
(( segid A and resid 303 and name HZ2 ))
ASSI { 364}
(( segid B and resid 209 and name HD2 ))
( segid A and resid 314 and name HE% )
3.400 1.000 1.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.14576E-02 ppm1 3.051 ppm2 6.318 CV 1
OR { 364}
(( segid A and resid 306 and name HD3 ))
( segid A and resid 314 and name HE% )
OR { 364}
(( segid A and resid 314 and name HB3 ))
( segid A and resid 314 and name HE% )
ASSI { 367}
(( segid B and resid 215 and name HG3 ))
( segid A and resid 314 and name HE% )
4.100 1.100 1.100 peak 367 spectrum 1 weight 0.10000E+01 volume 0.59940E-03 ppm1 1.973 ppm2 6.314 CV 1
OR { 367}
(( segid A and resid 304 and name HB3 ))
( segid A and resid 314 and name HE% )
OR { 367}
(( segid A and resid 313 and name HB ))
( segid A and resid 314 and name HE% )
OR { 367}
(( segid A and resid 312 and name HB2 ))
( segid A and resid 314 and name HE% )
ASSI { 371}
(( segid A and resid 306 and name HG3 ))
( segid A and resid 314 and name HE% )
4.300 1.200 1.200 peak 371 spectrum 1 weight 0.10000E+01 volume 0.69623E-03 ppm1 1.049 ppm2 6.304 CV 1
OR { 371}
( segid A and resid 313 and name HG2%)
( segid A and resid 314 and name HE% )
ASSI { 378}
(( segid A and resid 306 and name HN ))
( segid A and resid 314 and name HE% )
4.200 1.100 1.100 peak 378 spectrum 1 weight 0.10000E+01 volume 0.58410E-03 ppm1 8.300 ppm2 6.317 CV 1
OR { 378}
(( segid A and resid 317 and name HN ))
( segid A and resid 314 and name HE% )
ASSI { 386}
(( segid A and resid 318 and name HA ))
(( segid A and resid 318 and name HD2 ))
4.000 1.100 1.100 peak 386 spectrum 1 weight 0.10000E+01 volume 0.79675E-03 ppm1 4.288 ppm2 6.877 CV 1
OR { 386}
(( segid A and resid 302 and name HA2 ))
(( segid A and resid 318 and name HD2 ))
ASSI { 398}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 303 and name HE3 ))
2.700 0.800 0.800 peak 398 spectrum 1 weight 0.10000E+01 volume 0.41121E-02 ppm1 3.307 ppm2 7.391 CV 1
OR { 398}
(( segid A and resid 315 and name HB2 ))
(( segid A and resid 303 and name HE3 ))
ASSI { 400}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 303 and name HE3 ))
4.100 1.100 1.100 peak 400 spectrum 1 weight 0.10000E+01 volume 0.62023E-03 ppm1 0.874 ppm2 7.396 CV 1
OR { 400}
( segid A and resid 299 and name HD2%)
(( segid A and resid 303 and name HE3 ))
ASSI { 402}
(( segid A and resid 304 and name HN ))
(( segid A and resid 303 and name HE3 ))
3.200 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.14674E-02 ppm1 9.459 ppm2 7.392 CV 1
OR { 402}
(( segid A and resid 316 and name HN ))
(( segid A and resid 303 and name HE3 ))
ASSI { 405}
( segid A and resid 315 and name HD% )
(( segid A and resid 303 and name HE3 ))
3.500 1.000 1.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.18678E-02 ppm1 7.057 ppm2 7.392 CV 1
OR { 405}
(( segid A and resid 303 and name HH2 ))
(( segid A and resid 303 and name HE3 ))
ASSI { 418}
(( segid A and resid 328 and name HA ))
(( segid A and resid 303 and name HH2 ))
4.300 1.200 1.200 peak 418 spectrum 1 weight 0.10000E+01 volume 0.49405E-03 ppm1 3.969 ppm2 7.054 CV 1
OR { 418}
(( segid A and resid 326 and name HB ))
(( segid A and resid 303 and name HH2 ))
ASSI { 419}
(( segid A and resid 315 and name HB2 ))
(( segid A and resid 303 and name HH2 ))
4.500 1.200 1.200 peak 419 spectrum 1 weight 0.10000E+01 volume 0.54441E-03 ppm1 3.322 ppm2 7.047 CV 1
OR { 419}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 303 and name HH2 ))
ASSI { 423}
(( segid A and resid 317 and name HB2 ))
(( segid A and resid 303 and name HH2 ))
3.600 1.000 1.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.76727E-03 ppm1 2.255 ppm2 7.050 CV 1
OR { 423}
(( segid A and resid 324 and name HB3 ))
(( segid A and resid 303 and name HH2 ))
ASSI { 441}
(( segid A and resid 317 and name HB2 ))
(( segid A and resid 316 and name HA ))
4.100 1.100 1.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.11524E-02 ppm1 2.242 ppm2 4.262 CV 1
OR { 441}
(( segid A and resid 321 and name HA ))
(( segid A and resid 316 and name HA ))
ASSI { 452}
(( segid A and resid 305 and name HB ))
(( segid A and resid 305 and name HA ))
2.600 0.800 0.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.60396E-02 ppm1 1.555 ppm2 4.457 CV 1
OR { 452}
(( segid A and resid 306 and name HB2 ))
(( segid A and resid 305 and name HA ))
ASSI { 454}
(( segid A and resid 304 and name HB3 ))
(( segid A and resid 305 and name HA ))
3.800 1.100 1.100 peak 454 spectrum 1 weight 0.10000E+01 volume 0.56755E-03 ppm1 1.992 ppm2 4.456 CV 1
OR { 454}
(( segid A and resid 313 and name HB ))
(( segid A and resid 305 and name HA ))
ASSI { 456}
(( segid A and resid 314 and name HB2 ))
(( segid A and resid 305 and name HA ))
3.800 3.800 2.200 peak 456 spectrum 1 weight 0.10000E+01 volume 0.52609E-03 ppm1 2.592 ppm2 4.461 CV 1
OR { 456}
(( segid A and resid 328 and name HD3 ))
(( segid A and resid 305 and name HA ))
ASSI { 457}
(( segid A and resid 306 and name HD2 ))
(( segid A and resid 305 and name HA ))
3.900 3.900 2.100 peak 457 spectrum 1 weight 0.10000E+01 volume 0.57716E-03 ppm1 2.754 ppm2 4.459 CV 1
OR { 457}
(( segid A and resid 328 and name HD2 ))
(( segid A and resid 305 and name HA ))
OR { 457}
(( segid A and resid 327 and name HA ))
(( segid A and resid 305 and name HA ))
ASSI { 458}
(( segid A and resid 315 and name HB2 ))
(( segid A and resid 305 and name HA ))
4.200 1.100 1.100 peak 458 spectrum 1 weight 0.10000E+01 volume 0.70815E-03 ppm1 3.315 ppm2 4.463 CV 1
OR { 458}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 305 and name HA ))
ASSI { 467}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 316 and name HA ))
3.800 1.100 1.100 peak 467 spectrum 1 weight 0.10000E+01 volume 0.84355E-03 ppm1 7.422 ppm2 4.261 CV 1
OR { 467}
(( segid A and resid 322 and name HN ))
(( segid A and resid 316 and name HA ))
ASSI { 475}
(( segid A and resid 329 and name HD3 ))
( segid A and resid 305 and name HD1%)
3.400 1.000 1.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.71847E-03 ppm1 2.775 ppm2 0.945 CV 1
OR { 475}
(( segid A and resid 328 and name HD2 ))
( segid A and resid 305 and name HD1%)
OR { 475}
(( segid A and resid 329 and name HD2 ))
( segid A and resid 305 and name HD1%)
OR { 475}
(( segid A and resid 300 and name HD3 ))
( segid A and resid 305 and name HD1%)
ASSI { 477}
(( segid A and resid 313 and name HB ))
( segid A and resid 305 and name HD1%)
3.900 1.100 1.100 peak 477 spectrum 1 weight 0.10000E+01 volume 0.11002E-02 ppm1 1.965 ppm2 0.944 CV 1
OR { 477}
(( segid A and resid 304 and name HB3 ))
( segid A and resid 305 and name HD1%)
ASSI { 498}
(( segid A and resid 322 and name HN ))
(( segid A and resid 317 and name HB3 ))
3.000 0.900 0.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.17865E-02 ppm1 7.414 ppm2 0.094 CV 1
OR { 498}
(( segid A and resid 303 and name HZ2 ))
(( segid A and resid 317 and name HB3 ))
ASSI { 503}
(( segid A and resid 318 and name HA ))
(( segid A and resid 317 and name HB3 ))
4.600 1.200 1.200 peak 503 spectrum 1 weight 0.10000E+01 volume 0.47412E-03 ppm1 4.264 ppm2 0.085 CV 1
OR { 503}
(( segid A and resid 316 and name HA ))
(( segid A and resid 317 and name HB3 ))
ASSI { 513}
(( segid A and resid 322 and name HN ))
(( segid A and resid 317 and name HB2 ))
3.200 0.900 0.900 peak 513 spectrum 1 weight 0.10000E+01 volume 0.21768E-02 ppm1 7.418 ppm2 2.242 CV 1
OR { 513}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 317 and name HB2 ))
ASSI { 521}
( segid A and resid 315 and name HE% )
(( segid A and resid 326 and name HA ))
3.400 1.000 1.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.88966E-03 ppm1 7.243 ppm2 4.253 CV 1
OR { 521}
(( segid A and resid 324 and name HE22))
(( segid A and resid 326 and name HA ))
ASSI { 542}
(( segid A and resid 301 and name HD2 ))
(( segid A and resid 301 and name HA ))
3.200 0.900 0.900 peak 542 spectrum 1 weight 0.10000E+01 volume 0.20703E-02 ppm1 3.905 ppm2 4.497 CV 1
OR { 542}
(( segid A and resid 302 and name HA1 ))
(( segid A and resid 301 and name HA ))
ASSI { 578}
( segid A and resid 314 and name HD% )
(( segid A and resid 314 and name HB2 ))
2.100 0.700 0.700 peak 578 spectrum 1 weight 0.10000E+01 volume 0.73223E-02 ppm1 6.860 ppm2 2.604 CV 1
OR { 578}
(( segid A and resid 320 and name HN ))
(( segid A and resid 320 and name HB2 ))
ASSI { 592}
(( segid A and resid 314 and name HA ))
(( segid A and resid 314 and name HB3 ))
2.500 0.800 0.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.46168E-02 ppm1 4.941 ppm2 3.038 CV 1
OR { 592}
(( segid A and resid 314 and name HA ))
(( segid A and resid 325 and name HB3 ))
ASSI { 596}
( segid A and resid 313 and name HG1%)
(( segid A and resid 314 and name HB3 ))
3.800 1.100 1.100 peak 596 spectrum 1 weight 0.10000E+01 volume 0.62859E-03 ppm1 0.766 ppm2 3.035 CV 1
OR { 596}
( segid A and resid 313 and name HG1%)
(( segid A and resid 325 and name HB3 ))
OR { 596}
( segid A and resid 305 and name HG2%)
(( segid A and resid 314 and name HB3 ))
ASSI { 607}
( segid A and resid 315 and name HD% )
( segid A and resid 305 and name HG2%)
3.400 1.000 1.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.14942E-02 ppm1 7.059 ppm2 0.752 CV 1
OR { 607}
(( segid A and resid 307 and name HD21))
( segid A and resid 305 and name HG2%)
ASSI { 613}
(( segid A and resid 304 and name HG2 ))
( segid A and resid 305 and name HG2%)
3.500 1.000 1.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.15802E-02 ppm1 2.475 ppm2 0.750 CV 1
OR { 613}
(( segid A and resid 307 and name HB3 ))
( segid A and resid 305 and name HG2%)
OR { 613}
(( segid A and resid 307 and name HB2 ))
( segid A and resid 305 and name HG2%)
ASSI { 623}
(( segid A and resid 300 and name HD2 ))
(( segid A and resid 299 and name HB2 ))
3.600 1.000 1.000 peak 623 spectrum 1 weight 0.10000E+01 volume 0.22979E-02 ppm1 3.287 ppm2 1.776 CV 1
OR { 623}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 299 and name HB2 ))
ASSI { 626}
(( segid A and resid 300 and name HD2 ))
(( segid A and resid 299 and name HB3 ))
2.500 0.800 0.800 peak 626 spectrum 1 weight 0.10000E+01 volume 0.31202E-02 ppm1 3.286 ppm2 1.526 CV 1
OR { 626}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 299 and name HB3 ))
ASSI { 627}
(( segid A and resid 300 and name HD3 ))
(( segid A and resid 299 and name HB3 ))
3.100 0.900 0.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.23873E-02 ppm1 2.775 ppm2 1.533 CV 1
OR { 627}
(( segid A and resid 329 and name HD2 ))
(( segid A and resid 299 and name HB3 ))
ASSI { 634}
( segid A and resid 299 and name HD2%)
(( segid A and resid 299 and name HB3 ))
2.400 0.800 0.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.56214E-02 ppm1 0.893 ppm2 1.557 CV 1
OR { 634}
( segid A and resid 330 and name HD1%)
(( segid A and resid 330 and name HB2 ))
ASSI { 651}
(( segid A and resid 316 and name HN ))
(( segid A and resid 315 and name HB3 ))
3.400 1.000 1.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.89269E-03 ppm1 9.450 ppm2 3.155 CV 1
OR { 651}
(( segid A and resid 304 and name HN ))
(( segid A and resid 315 and name HB3 ))
ASSI { 656}
(( segid A and resid 324 and name HE22))
(( segid A and resid 315 and name HB2 ))
3.700 1.000 1.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.11209E-02 ppm1 7.255 ppm2 3.316 CV 1
OR { 656}
( segid A and resid 315 and name HE% )
(( segid A and resid 315 and name HB2 ))
ASSI { 661}
( segid A and resid 315 and name HE% )
(( segid A and resid 315 and name HB3 ))
4.100 1.100 1.100 peak 661 spectrum 1 weight 0.10000E+01 volume 0.86993E-03 ppm1 7.255 ppm2 3.159 CV 1
OR { 661}
(( segid A and resid 324 and name HE22))
(( segid A and resid 315 and name HB3 ))
ASSI { 670}
(( segid A and resid 328 and name HD2 ))
(( segid A and resid 315 and name HB3 ))
3.500 1.000 1.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.11876E-02 ppm1 2.827 ppm2 3.156 CV 1
OR { 670}
(( segid A and resid 324 and name HG2 ))
(( segid A and resid 315 and name HB3 ))
ASSI { 671}
( segid A and resid 299 and name HD2%)
(( segid A and resid 315 and name HB2 ))
4.900 1.300 1.100 peak 671 spectrum 1 weight 0.10000E+01 volume 0.46041E-03 ppm1 0.872 ppm2 3.311 CV 1
OR { 671}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 315 and name HB2 ))
ASSI { 683}
( segid A and resid 294 and name HD1%)
(( segid A and resid 327 and name HB3 ))
3.900 1.100 1.100 peak 683 spectrum 1 weight 0.10000E+01 volume 0.52662E-03 ppm1 1.020 ppm2 2.368 CV 1
OR { 683}
( segid A and resid 313 and name HG2%)
(( segid A and resid 327 and name HB3 ))
ASSI { 699}
( segid A and resid 313 and name HG1%)
(( segid A and resid 307 and name HB3 ))
3.400 1.000 1.000 peak 699 spectrum 1 weight 0.10000E+01 volume 0.16466E-02 ppm1 0.751 ppm2 2.470 CV 1
OR { 699}
( segid A and resid 305 and name HG2%)
(( segid A and resid 307 and name HB3 ))
OR { 699}
( segid A and resid 305 and name HG2%)
(( segid A and resid 307 and name HB2 ))
ASSI { 700}
( segid A and resid 313 and name HG2%)
(( segid A and resid 307 and name HB3 ))
3.400 3.400 2.600 peak 700 spectrum 1 weight 0.10000E+01 volume 0.16903E-02 ppm1 1.019 ppm2 2.470 CV 1
OR { 700}
(( segid A and resid 306 and name HG3 ))
(( segid A and resid 307 and name HB2 ))
ASSI { 796}
(( segid A and resid 318 and name HB2 ))
(( segid A and resid 302 and name HA2 ))
4.300 1.200 1.200 peak 796 spectrum 1 weight 0.10000E+01 volume 0.54424E-03 ppm1 3.068 ppm2 4.284 CV 1
OR { 796}
(( segid A and resid 319 and name HB2 ))
(( segid A and resid 302 and name HA2 ))
ASSI { 826}
(( segid B and resid 209 and name HD2 ))
(( segid A and resid 323 and name HB ))
4.200 1.100 1.100 peak 826 spectrum 1 weight 0.10000E+01 volume 0.73484E-03 ppm1 3.037 ppm2 4.181 CV 1
OR { 826}
(( segid A and resid 314 and name HB3 ))
(( segid A and resid 323 and name HB ))
ASSI { 828}
(( segid A and resid 324 and name HB3 ))
(( segid A and resid 323 and name HB ))
4.200 1.100 1.100 peak 828 spectrum 1 weight 0.10000E+01 volume 0.69053E-03 ppm1 2.238 ppm2 4.181 CV 1
OR { 828}
(( segid B and resid 209 and name HB3 ))
(( segid A and resid 323 and name HB ))
ASSI { 831}
( segid A and resid 323 and name HG2%)
(( segid A and resid 323 and name HB ))
2.100 0.700 0.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.10352E-01 ppm1 1.246 ppm2 4.184 CV 1
OR { 831}
(( segid B and resid 208 and name HB2 ))
(( segid A and resid 323 and name HB ))
ASSI { 835}
(( segid A and resid 298 and name HA ))
(( segid A and resid 298 and name HD3 ))
3.400 1.000 1.000 peak 835 spectrum 1 weight 0.10000E+01 volume 0.15546E-02 ppm1 4.464 ppm2 3.614 CV 1
OR { 835}
(( segid A and resid 293 and name HA ))
(( segid A and resid 293 and name HD3 ))
OR { 835}
(( segid A and resid 298 and name HA ))
(( segid A and resid 298 and name HD2 ))
OR { 835}
(( segid A and resid 293 and name HA ))
(( segid A and resid 293 and name HD2 ))
ASSI { 840}
(( segid A and resid 293 and name HG2 ))
(( segid A and resid 293 and name HD2 ))
2.000 0.700 0.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.21858E-01 ppm1 2.012 ppm2 3.600 CV 1
OR { 840}
(( segid A and resid 293 and name HG3 ))
(( segid A and resid 293 and name HD3 ))
OR { 840}
(( segid A and resid 298 and name HG3 ))
(( segid A and resid 298 and name HD3 ))
OR { 840}
(( segid A and resid 298 and name HG2 ))
(( segid A and resid 298 and name HD2 ))
OR { 840}
(( segid A and resid 293 and name HG3 ))
(( segid A and resid 293 and name HD2 ))
OR { 840}
(( segid A and resid 298 and name HG3 ))
(( segid A and resid 298 and name HD2 ))
OR { 840}
(( segid A and resid 298 and name HG2 ))
(( segid A and resid 298 and name HD3 ))
ASSI { 843}
( segid A and resid 299 and name HD2%)
(( segid A and resid 300 and name HD2 ))
2.900 0.900 0.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.37472E-02 ppm1 0.864 ppm2 3.298 CV 1
OR { 843}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 300 and name HD2 ))
ASSI { 847}
(( segid A and resid 299 and name HB2 ))
(( segid A and resid 300 and name HD2 ))
3.300 1.000 1.000 peak 847 spectrum 1 weight 0.10000E+01 volume 0.29506E-02 ppm1 1.777 ppm2 3.299 CV 1
OR { 847}
(( segid A and resid 329 and name HG3 ))
(( segid A and resid 300 and name HD2 ))
ASSI { 851}
(( segid A and resid 301 and name HD2 ))
(( segid A and resid 300 and name HD2 ))
4.300 1.200 1.200 peak 851 spectrum 1 weight 0.10000E+01 volume 0.99241E-03 ppm1 3.918 ppm2 3.300 CV 1
OR { 851}
(( segid A and resid 329 and name HA ))
(( segid A and resid 300 and name HD2 ))
OR { 851}
(( segid A and resid 328 and name HA ))
(( segid A and resid 300 and name HD2 ))
ASSI { 856}
(( segid A and resid 329 and name HA ))
(( segid A and resid 300 and name HD3 ))
4.200 1.100 1.100 peak 856 spectrum 1 weight 0.10000E+01 volume 0.78556E-03 ppm1 3.927 ppm2 2.774 CV 1
OR { 856}
(( segid A and resid 301 and name HD2 ))
(( segid A and resid 300 and name HD3 ))
ASSI { 861}
(( segid A and resid 300 and name HB2 ))
(( segid A and resid 300 and name HD3 ))
3.600 1.000 1.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.20274E-02 ppm1 1.906 ppm2 2.775 CV 1
OR { 861}
(( segid A and resid 329 and name HB2 ))
(( segid A and resid 300 and name HD3 ))
ASSI { 862}
(( segid A and resid 329 and name HG3 ))
(( segid A and resid 300 and name HD3 ))
3.100 0.900 0.900 peak 862 spectrum 1 weight 0.10000E+01 volume 0.30538E-02 ppm1 1.784 ppm2 2.774 CV 1
OR { 862}
(( segid A and resid 299 and name HB2 ))
(( segid A and resid 300 and name HD3 ))
ASSI { 867}
( segid A and resid 299 and name HD2%)
(( segid A and resid 328 and name HD2 ))
2.600 0.800 0.800 peak 867 spectrum 1 weight 0.10000E+01 volume 0.49816E-02 ppm1 0.866 ppm2 2.779 CV 1
OR { 867}
( segid A and resid 299 and name HD2%)
(( segid A and resid 300 and name HD3 ))
OR { 867}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 328 and name HD2 ))
ASSI { 869}
(( segid A and resid 328 and name HG2 ))
(( segid A and resid 328 and name HD2 ))
2.400 0.800 0.800 peak 869 spectrum 1 weight 0.10000E+01 volume 0.33130E-02 ppm1 0.209 ppm2 2.789 CV 1
OR { 869}
(( segid A and resid 328 and name HG2 ))
(( segid A and resid 300 and name HD3 ))
ASSI { 873}
(( segid A and resid 329 and name HN ))
(( segid A and resid 328 and name HD2 ))
2.700 0.800 0.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.37415E-02 ppm1 8.535 ppm2 2.779 CV 1
OR { 873}
(( segid A and resid 327 and name HN ))
(( segid A and resid 328 and name HD2 ))
ASSI { 875}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 328 and name HD2 ))
4.100 1.100 1.100 peak 875 spectrum 1 weight 0.10000E+01 volume 0.79660E-03 ppm1 7.365 ppm2 2.785 CV 1
OR { 875}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 300 and name HD3 ))
ASSI { 877}
( segid A and resid 315 and name HD% )
(( segid A and resid 328 and name HD2 ))
3.000 0.900 0.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.21734E-02 ppm1 7.070 ppm2 2.781 CV 1
OR { 877}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 300 and name HD3 ))
ASSI { 893}
(( segid A and resid 300 and name HB3 ))
(( segid A and resid 301 and name HD3 ))
2.700 0.800 0.800 peak 893 spectrum 1 weight 0.10000E+01 volume 0.51810E-02 ppm1 2.448 ppm2 3.676 CV 1
OR { 893}
(( segid A and resid 301 and name HB3 ))
(( segid A and resid 301 and name HD3 ))
ASSI { 896}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 328 and name HD3 ))
3.000 0.900 0.900 peak 896 spectrum 1 weight 0.10000E+01 volume 0.20139E-02 ppm1 0.862 ppm2 2.609 CV 1
OR { 896}
( segid A and resid 299 and name HD2%)
(( segid A and resid 328 and name HD3 ))
ASSI { 900}
(( segid A and resid 315 and name HB3 ))
(( segid A and resid 328 and name HD3 ))
3.400 1.000 1.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.77468E-03 ppm1 3.169 ppm2 2.608 CV 1
OR { 900}
(( segid A and resid 303 and name HB2 ))
(( segid A and resid 328 and name HD3 ))
ASSI { 908}
(( segid A and resid 329 and name HN ))
(( segid A and resid 328 and name HD3 ))
3.800 1.100 1.100 peak 908 spectrum 1 weight 0.10000E+01 volume 0.11888E-02 ppm1 8.534 ppm2 2.614 CV 1
OR { 908}
(( segid A and resid 327 and name HN ))
(( segid A and resid 328 and name HD3 ))
ASSI { 913}
(( segid A and resid 303 and name HE3 ))
(( segid A and resid 317 and name HA ))
3.300 1.000 1.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.12147E-02 ppm1 7.406 ppm2 3.571 CV 1
OR { 913}
(( segid A and resid 322 and name HN ))
(( segid A and resid 317 and name HA ))
ASSI { 917}
(( segid A and resid 318 and name HA ))
(( segid A and resid 317 and name HA ))
3.700 1.000 1.000 peak 917 spectrum 1 weight 0.10000E+01 volume 0.14211E-02 ppm1 4.277 ppm2 3.583 CV 1
OR { 917}
(( segid A and resid 316 and name HA ))
(( segid A and resid 317 and name HA ))
ASSI { 918}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 317 and name HA ))
4.100 1.100 1.100 peak 918 spectrum 1 weight 0.10000E+01 volume 0.10559E-02 ppm1 3.260 ppm2 3.578 CV 1
OR { 918}
(( segid A and resid 318 and name HB3 ))
(( segid A and resid 317 and name HA ))
ASSI { 927}
(( segid A and resid 300 and name HD3 ))
(( segid A and resid 299 and name HA ))
2.100 0.700 0.700 peak 927 spectrum 1 weight 0.10000E+01 volume 0.84340E-02 ppm1 2.776 ppm2 4.171 CV 1
OR { 927}
(( segid A and resid 329 and name HD2 ))
(( segid A and resid 299 and name HA ))
ASSI { 928}
(( segid A and resid 299 and name HB2 ))
(( segid A and resid 299 and name HA ))
2.500 0.800 0.800 peak 928 spectrum 1 weight 0.10000E+01 volume 0.62261E-02 ppm1 1.786 ppm2 4.170 CV 1
OR { 928}
(( segid A and resid 299 and name HG ))
(( segid A and resid 299 and name HA ))
OR { 928}
(( segid A and resid 329 and name HG3 ))
(( segid A and resid 299 and name HA ))
ASSI { 939}
(( segid A and resid 318 and name HA ))
(( segid A and resid 318 and name HB2 ))
2.900 0.900 0.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.39605E-02 ppm1 4.289 ppm2 3.049 CV 1
OR { 939}
(( segid A and resid 302 and name HA2 ))
(( segid A and resid 318 and name HB2 ))
ASSI { 959}
( segid A and resid 309 and name HB% )
(( segid A and resid 309 and name HA ))
2.000 0.700 0.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.27242E-01 ppm1 1.577 ppm2 4.291 CV 1
OR { 959}
(( segid A and resid 330 and name HB2 ))
(( segid A and resid 330 and name HA ))
ASSI { 1045}
(( segid A and resid 300 and name HD2 ))
(( segid A and resid 299 and name HG ))
4.200 1.100 1.100 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.10161E-02 ppm1 3.283 ppm2 1.818 CV 1
OR { 1045}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 299 and name HG ))
ASSI { 1046}
(( segid A and resid 329 and name HD2 ))
(( segid A and resid 299 and name HG ))
3.800 1.100 1.100 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.95355E-03 ppm1 2.782 ppm2 1.818 CV 1
OR { 1046}
(( segid A and resid 329 and name HD3 ))
(( segid A and resid 299 and name HG ))
OR { 1046}
(( segid A and resid 300 and name HD3 ))
(( segid A and resid 299 and name HG ))
ASSI { 1047}
(( segid A and resid 299 and name HB3 ))
(( segid A and resid 299 and name HG ))
2.500 0.800 0.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.67893E-02 ppm1 1.532 ppm2 1.820 CV 1
OR { 1047}
(( segid A and resid 305 and name HG12))
(( segid A and resid 299 and name HG ))
ASSI { 1060}
(( segid A and resid 318 and name HB2 ))
( segid A and resid 316 and name HG1%)
4.000 1.100 1.100 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.74410E-03 ppm1 3.042 ppm2 0.348 CV 1
OR { 1060}
(( segid A and resid 321 and name HD3 ))
( segid A and resid 316 and name HG1%)
OR { 1060}
(( segid A and resid 321 and name HD2 ))
( segid A and resid 316 and name HG1%)
ASSI { 1061}
(( segid A and resid 317 and name HA ))
( segid A and resid 316 and name HG1%)
3.600 1.000 1.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.96050E-03 ppm1 3.576 ppm2 0.355 CV 1
OR { 1061}
(( segid B and resid 212 and name HB3 ))
( segid A and resid 316 and name HG1%)
ASSI { 1066}
( segid A and resid 315 and name HD% )
( segid A and resid 316 and name HG1%)
3.700 3.700 2.300 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.15046E-02 ppm1 7.058 ppm2 0.354 CV 1
OR { 1066}
(( segid A and resid 303 and name HH2 ))
( segid A and resid 316 and name HG1%)
ASSI { 1073}
(( segid A and resid 315 and name HN ))
( segid A and resid 316 and name HG2%)
3.700 1.000 1.000 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.54103E-03 ppm1 9.111 ppm2 0.595 CV 1
OR { 1073}
(( segid A and resid 324 and name HN ))
( segid A and resid 316 and name HG2%)
ASSI { 1079}
(( segid A and resid 305 and name HA ))
( segid A and resid 316 and name HG2%)
3.500 1.000 1.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.15082E-02 ppm1 4.445 ppm2 0.587 CV 1
OR { 1079}
(( segid A and resid 306 and name HA ))
( segid A and resid 316 and name HG2%)
ASSI { 1090}
(( segid A and resid 317 and name HB2 ))
( segid A and resid 322 and name HG2%)
2.700 0.800 0.800 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.56933E-02 ppm1 2.227 ppm2 0.959 CV 1
OR { 1090}
(( segid A and resid 320 and name HB3 ))
( segid A and resid 322 and name HG2%)
ASSI { 1099}
(( segid A and resid 320 and name HD22))
( segid A and resid 322 and name HG2%)
3.500 1.000 1.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.84665E-03 ppm1 8.451 ppm2 0.961 CV 1
OR { 1099}
(( segid A and resid 319 and name HN ))
( segid A and resid 322 and name HG2%)
ASSI { 1100}
(( segid A and resid 306 and name HG2 ))
( segid A and resid 316 and name HG2%)
3.800 1.100 1.100 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.14172E-02 ppm1 1.604 ppm2 0.584 CV 1
OR { 1100}
(( segid B and resid 209 and name HG2 ))
( segid A and resid 316 and name HG2%)
ASSI { 1106}
(( segid A and resid 324 and name HE22))
( segid A and resid 326 and name HG2%)
3.600 1.000 1.000 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.14239E-02 ppm1 7.251 ppm2 1.163 CV 1
OR { 1106}
(( segid A and resid 330 and name HN ))
( segid A and resid 326 and name HG2%)
OR { 1106}
( segid A and resid 315 and name HE% )
( segid A and resid 326 and name HG2%)
ASSI { 1109}
(( segid A and resid 327 and name HB2 ))
( segid A and resid 326 and name HG2%)
4.100 1.100 1.100 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.10007E-02 ppm1 2.645 ppm2 1.166 CV 1
OR { 1109}
(( segid A and resid 324 and name HB2 ))
( segid A and resid 326 and name HG2%)
ASSI { 1129}
(( segid A and resid 312 and name HA ))
( segid A and resid 313 and name HG2%)
3.200 0.900 0.900 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.30006E-02 ppm1 4.435 ppm2 1.017 CV 1
OR { 1129}
(( segid A and resid 305 and name HA ))
( segid A and resid 313 and name HG2%)
ASSI { 1146}
(( segid A and resid 299 and name HB3 ))
( segid A and resid 299 and name HD2%)
2.200 0.700 0.700 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.76553E-02 ppm1 1.529 ppm2 0.865 CV 1
OR { 1146}
(( segid A and resid 305 and name HG12))
( segid A and resid 299 and name HD2%)
ASSI { 1148}
(( segid A and resid 328 and name HD3 ))
( segid A and resid 299 and name HD2%)
3.900 1.100 1.100 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.12364E-02 ppm1 2.620 ppm2 0.867 CV 1
OR { 1148}
(( segid A and resid 327 and name HB2 ))
( segid A and resid 299 and name HD2%)
ASSI { 1149}
(( segid A and resid 328 and name HD2 ))
( segid A and resid 299 and name HD2%)
2.300 0.800 0.800 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.83569E-02 ppm1 2.783 ppm2 0.865 CV 1
OR { 1149}
(( segid A and resid 329 and name HD3 ))
( segid A and resid 299 and name HD2%)
OR { 1149}
(( segid A and resid 329 and name HD2 ))
( segid A and resid 299 and name HD2%)
OR { 1149}
(( segid A and resid 300 and name HD3 ))
( segid A and resid 299 and name HD2%)
ASSI { 1150}
(( segid A and resid 303 and name HB2 ))
( segid A and resid 299 and name HD2%)
3.100 0.900 0.900 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.23960E-02 ppm1 3.148 ppm2 0.862 CV 1
OR { 1150}
(( segid A and resid 315 and name HB3 ))
( segid A and resid 299 and name HD2%)
ASSI { 1151}
(( segid A and resid 303 and name HB3 ))
( segid A and resid 299 and name HD2%)
2.600 0.800 0.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.54060E-02 ppm1 3.295 ppm2 0.865 CV 1
OR { 1151}
(( segid A and resid 300 and name HD2 ))
( segid A and resid 299 and name HD2%)
ASSI { 1153}
(( segid A and resid 298 and name HA ))
( segid A and resid 299 and name HD2%)
3.800 1.100 1.100 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.10797E-02 ppm1 4.460 ppm2 0.862 CV 1
OR { 1153}
(( segid A and resid 305 and name HA ))
( segid A and resid 299 and name HD2%)
ASSI { 1154}
(( segid A and resid 329 and name HA ))
( segid A and resid 299 and name HD2%)
4.400 1.200 1.200 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.70317E-03 ppm1 3.934 ppm2 0.868 CV 1
OR { 1154}
(( segid A and resid 328 and name HA ))
( segid A and resid 299 and name HD2%)
ASSI { 1173}
(( segid A and resid 312 and name HA ))
( segid A and resid 308 and name HG2%)
3.800 1.100 1.100 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.11379E-02 ppm1 4.432 ppm2 1.444 CV 1
OR { 1173}
(( segid A and resid 306 and name HA ))
( segid A and resid 308 and name HG2%)
ASSI { 1176}
(( segid B and resid 210 and name HD2 ))
( segid A and resid 308 and name HG2%)
4.900 1.300 1.100 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.53694E-03 ppm1 3.626 ppm2 1.452 CV 1
OR { 1176}
(( segid A and resid 325 and name HB2 ))
( segid A and resid 308 and name HG2%)
ASSI { 1182}
(( segid A and resid 312 and name HB2 ))
( segid A and resid 308 and name HG2%)
3.200 0.900 0.900 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.30372E-02 ppm1 1.993 ppm2 1.448 CV 1
OR { 1182}
(( segid B and resid 207 and name HB3 ))
( segid A and resid 308 and name HG2%)
OR { 1182}
(( segid B and resid 207 and name HG2 ))
( segid A and resid 308 and name HG2%)
ASSI { 1185}
(( segid B and resid 209 and name HD2 ))
( segid A and resid 323 and name HG2%)
3.200 3.200 2.800 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.95211E-03 ppm1 2.999 ppm2 1.241 CV 1
OR { 1185}
(( segid A and resid 325 and name HB3 ))
( segid A and resid 323 and name HG2%)
ASSI { 1187}
(( segid B and resid 210 and name HB2 ))
( segid A and resid 323 and name HG2%)
3.900 1.100 1.100 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.97638E-03 ppm1 2.253 ppm2 1.240 CV 1
OR { 1187}
(( segid B and resid 209 and name HB3 ))
( segid A and resid 323 and name HG2%)
OR { 1187}
(( segid A and resid 317 and name HB2 ))
( segid A and resid 323 and name HG2%)
ASSI { 1188}
(( segid B and resid 210 and name HG3 ))
( segid A and resid 323 and name HG2%)
3.900 1.100 1.100 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.87530E-03 ppm1 1.963 ppm2 1.253 CV 1
OR { 1188}
(( segid B and resid 210 and name HG2 ))
( segid A and resid 323 and name HG2%)
OR { 1188}
(( segid A and resid 304 and name HB3 ))
( segid A and resid 323 and name HG2%)
ASSI { 1189}
(( segid B and resid 210 and name HB3 ))
( segid A and resid 323 and name HG2%)
4.100 1.100 1.100 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.93843E-03 ppm1 1.819 ppm2 1.244 CV 1
OR { 1189}
(( segid A and resid 316 and name HB ))
( segid A and resid 323 and name HG2%)
ASSI { 1190}
(( segid B and resid 209 and name HD3 ))
( segid A and resid 323 and name HG2%)
3.700 3.700 2.300 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.62966E-03 ppm1 1.646 ppm2 1.249 CV 1
OR { 1190}
(( segid A and resid 306 and name HG2 ))
( segid A and resid 323 and name HG2%)
ASSI { 1196}
(( segid A and resid 322 and name HN ))
( segid A and resid 323 and name HG2%)
4.100 1.100 1.100 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.50028E-03 ppm1 7.434 ppm2 1.240 CV 1
OR { 1196}
(( segid A and resid 303 and name HE3 ))
( segid A and resid 323 and name HG2%)
ASSI { 1197}
( segid A and resid 315 and name HD% )
( segid A and resid 323 and name HG2%)
4.100 4.100 1.900 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.85927E-03 ppm1 7.054 ppm2 1.243 CV 1
OR { 1197}
(( segid A and resid 303 and name HH2 ))
( segid A and resid 323 and name HG2%)
ASSI { 1205}
(( segid A and resid 327 and name HN ))
( segid A and resid 294 and name HD1%)
3.000 3.000 3.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.96784E-03 ppm1 8.578 ppm2 1.027 CV 1
OR { 1205}
(( segid A and resid 329 and name HN ))
( segid A and resid 294 and name HD1%)
ASSI { 1216}
(( segid A and resid 295 and name HA2 ))
( segid A and resid 330 and name HD1%)
4.100 1.100 1.100 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.50633E-03 ppm1 3.612 ppm2 0.896 CV 1
OR { 1216}
(( segid A and resid 293 and name HD2 ))
( segid A and resid 330 and name HD1%)
ASSI { 1225}
( segid A and resid 315 and name HD% )
(( segid A and resid 328 and name HG2 ))
3.800 1.100 1.100 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.91514E-03 ppm1 7.061 ppm2 0.210 CV 1
OR { 1225}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 328 and name HG2 ))
ASSI { 1229}
(( segid A and resid 328 and name HA ))
(( segid A and resid 328 and name HG2 ))
3.800 1.100 1.100 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.11047E-02 ppm1 3.950 ppm2 0.210 CV 1
OR { 1229}
(( segid A and resid 329 and name HA ))
(( segid A and resid 328 and name HG2 ))
ASSI { 1230}
(( segid A and resid 300 and name HD2 ))
(( segid A and resid 328 and name HG2 ))
3.100 0.900 0.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.10769E-02 ppm1 3.309 ppm2 0.202 CV 1
OR { 1230}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 328 and name HG2 ))
ASSI { 1231}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 328 and name HG3 ))
3.300 1.000 1.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.75157E-03 ppm1 3.279 ppm2 0.560 CV 1
OR { 1231}
(( segid A and resid 300 and name HD2 ))
(( segid A and resid 328 and name HG3 ))
ASSI { 1236}
( segid A and resid 299 and name HD2%)
(( segid A and resid 328 and name HG2 ))
2.600 0.800 0.800 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.58990E-02 ppm1 0.867 ppm2 0.209 CV 1
OR { 1236}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 328 and name HG2 ))
ASSI { 1245}
(( segid A and resid 305 and name HA ))
( segid A and resid 299 and name HD1%)
3.500 1.000 1.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.15007E-02 ppm1 4.462 ppm2 1.081 CV 1
OR { 1245}
(( segid A and resid 298 and name HA ))
( segid A and resid 299 and name HD1%)
ASSI { 1247}
(( segid A and resid 303 and name HB3 ))
( segid A and resid 299 and name HD1%)
2.800 0.900 0.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.26002E-02 ppm1 3.286 ppm2 1.081 CV 1
OR { 1247}
(( segid A and resid 300 and name HD2 ))
( segid A and resid 299 and name HD1%)
ASSI { 1249}
(( segid A and resid 328 and name HD2 ))
( segid A and resid 299 and name HD1%)
3.300 1.000 1.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.17817E-02 ppm1 2.774 ppm2 1.082 CV 1
OR { 1249}
(( segid A and resid 300 and name HD3 ))
( segid A and resid 299 and name HD1%)
ASSI { 1252}
(( segid A and resid 305 and name HG12))
( segid A and resid 299 and name HD1%)
2.500 0.800 0.800 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.79524E-02 ppm1 1.530 ppm2 1.081 CV 1
OR { 1252}
(( segid A and resid 299 and name HB3 ))
( segid A and resid 299 and name HD1%)
ASSI { 1257}
(( segid A and resid 300 and name HD3 ))
(( segid A and resid 329 and name HG2 ))
2.600 0.800 0.800 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.28628E-02 ppm1 2.782 ppm2 1.174 CV 1
OR { 1257}
(( segid A and resid 329 and name HD2 ))
(( segid A and resid 329 and name HG2 ))
OR { 1257}
(( segid A and resid 329 and name HD3 ))
(( segid A and resid 329 and name HG2 ))
ASSI { 1261}
( segid A and resid 299 and name HD2%)
(( segid A and resid 329 and name HG2 ))
3.500 1.000 1.000 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.15768E-02 ppm1 0.861 ppm2 1.174 CV 1
OR { 1261}
(( segid A and resid 328 and name HB2 ))
(( segid A and resid 329 and name HG2 ))
ASSI { 1264}
( segid A and resid 299 and name HD2%)
(( segid A and resid 329 and name HG3 ))
2.800 0.900 0.900 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.21963E-02 ppm1 0.872 ppm2 1.762 CV 1
OR { 1264}
(( segid A and resid 321 and name HG3 ))
(( segid A and resid 321 and name HB2 ))
ASSI { 1268}
(( segid A and resid 329 and name HD3 ))
(( segid A and resid 329 and name HG3 ))
2.500 0.800 0.800 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.43014E-02 ppm1 2.781 ppm2 1.772 CV 1
OR { 1268}
(( segid A and resid 329 and name HD2 ))
(( segid A and resid 329 and name HG3 ))
OR { 1268}
(( segid A and resid 300 and name HD3 ))
(( segid A and resid 329 and name HG3 ))
ASSI { 1276}
(( segid A and resid 329 and name HE ))
(( segid A and resid 329 and name HG3 ))
3.700 1.000 1.000 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.80885E-03 ppm1 8.805 ppm2 1.772 CV 1
OR { 1276}
(( segid A and resid 295 and name HN ))
(( segid A and resid 294 and name HG ))
ASSI { 1287}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 300 and name HG2 ))
3.600 1.000 1.000 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.15948E-02 ppm1 0.874 ppm2 1.260 CV 1
OR { 1287}
( segid A and resid 299 and name HD2%)
(( segid A and resid 300 and name HG2 ))
ASSI { 1288}
(( segid A and resid 328 and name HB3 ))
(( segid A and resid 300 and name HG3 ))
4.600 1.200 1.200 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.90055E-03 ppm1 0.870 ppm2 1.653 CV 1
OR { 1288}
( segid A and resid 299 and name HD2%)
(( segid A and resid 300 and name HG3 ))
ASSI { 1308}
(( segid A and resid 327 and name HN ))
(( segid A and resid 330 and name HG ))
4.100 1.100 1.100 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.58321E-03 ppm1 8.525 ppm2 1.371 CV 1
OR { 1308}
(( segid A and resid 329 and name HN ))
(( segid A and resid 330 and name HG ))
ASSI { 1324}
(( segid A and resid 298 and name HB2 ))
(( segid A and resid 298 and name HG2 ))
1.900 0.700 0.700 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.33003E-01 ppm1 2.301 ppm2 2.017 CV 1
OR { 1324}
(( segid A and resid 293 and name HB2 ))
(( segid A and resid 293 and name HG3 ))
OR { 1324}
(( segid A and resid 298 and name HB2 ))
(( segid A and resid 298 and name HG3 ))
OR { 1324}
(( segid A and resid 293 and name HB2 ))
(( segid A and resid 293 and name HG2 ))
ASSI { 1328}
(( segid A and resid 306 and name HN ))
( segid A and resid 314 and name HD% )
4.000 1.100 1.100 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.45400E-03 ppm1 8.290 ppm2 6.856 CV 1
OR { 1328}
(( segid A and resid 317 and name HN ))
( segid A and resid 314 and name HD% )
ASSI { 1343}
(( segid A and resid 324 and name HE22))
(( segid A and resid 303 and name HE3 ))
3.500 3.500 2.500 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.19737E-02 ppm1 7.274 ppm2 7.391 CV 1
OR { 1343}
( segid A and resid 315 and name HE% )
(( segid A and resid 303 and name HE3 ))
ASSI { 1344}
( segid A and resid 299 and name HD2%)
(( segid A and resid 329 and name HB2 ))
4.200 1.100 1.100 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.64497E-03 ppm1 0.857 ppm2 1.925 CV 1
OR { 1344}
(( segid A and resid 328 and name HB2 ))
(( segid A and resid 329 and name HB2 ))
ASSI { 1348}
( segid A and resid 313 and name HG1%)
( segid A and resid 315 and name HE% )
3.400 1.000 1.000 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.12027E-02 ppm1 0.746 ppm2 7.235 CV 1
OR { 1348}
( segid A and resid 305 and name HG2%)
( segid A and resid 315 and name HE% )
ASSI { 2}
(( segid B and resid 215 and name HD2 ))
( segid B and resid 214 and name HD% )
3.700 1.000 1.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.13352E-02 ppm1 3.884 ppm2 7.129 CV 1
OR { 2}
(( segid B and resid 213 and name HA ))
( segid B and resid 214 and name HD% )
ASSI { 30}
( segid B and resid 216 and name HE% )
( segid B and resid 214 and name HD% )
4.200 1.100 1.100 peak 30 spectrum 1 weight 0.10000E+01 volume 0.44910E-03 ppm1 2.122 ppm2 7.143 CV 1
OR { 30}
(( segid B and resid 215 and name HG2 ))
( segid B and resid 214 and name HD% )
ASSI { 46}
(( segid B and resid 204 and name HN ))
(( segid B and resid 204 and name HA ))
3.200 0.900 0.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.15049E-02 ppm1 8.157 ppm2 4.291 CV 1
OR { 46}
(( segid B and resid 205 and name HN ))
(( segid B and resid 204 and name HA ))
ASSI { 95}
(( segid B and resid 209 and name HG3 ))
(( segid B and resid 211 and name HA ))
3.000 3.000 3.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.37951E-02 ppm1 1.183 ppm2 3.429 CV 1
OR { 95}
(( segid B and resid 208 and name HB2 ))
(( segid B and resid 211 and name HA ))
ASSI { 190}
(( segid B and resid 214 and name HB3 ))
( segid B and resid 216 and name HE% )
3.400 1.000 1.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.96383E-03 ppm1 2.592 ppm2 2.088 CV 1
OR { 190}
(( segid B and resid 216 and name HG2 ))
( segid B and resid 216 and name HE% )
ASSI { 209}
(( segid A and resid 312 and name HD2 ))
( segid B and resid 204 and name HD2%)
3.900 1.100 1.100 peak 209 spectrum 1 weight 0.10000E+01 volume 0.55689E-03 ppm1 2.968 ppm2 0.853 CV 1
OR { 209}
(( segid A and resid 325 and name HB3 ))
( segid B and resid 204 and name HD2%)
ASSI { 223}
(( segid B and resid 209 and name HG3 ))
(( segid B and resid 209 and name HD2 ))
2.700 0.800 0.800 peak 223 spectrum 1 weight 0.10000E+01 volume 0.38440E-02 ppm1 1.212 ppm2 3.036 CV 1
OR { 223}
(( segid B and resid 208 and name HB2 ))
(( segid B and resid 209 and name HD2 ))
ASSI { 249}
(( segid B and resid 210 and name HG3 ))
(( segid B and resid 210 and name HD2 ))
2.300 0.800 0.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.84574E-02 ppm1 1.964 ppm2 3.696 CV 1
OR { 249}
(( segid B and resid 207 and name HG2 ))
(( segid B and resid 207 and name HD3 ))
OR { 249}
(( segid B and resid 210 and name HG2 ))
(( segid B and resid 210 and name HD2 ))
OR { 249}
(( segid B and resid 207 and name HG3 ))
(( segid B and resid 207 and name HD3 ))
ASSI { 251}
(( segid B and resid 208 and name HG2 ))
(( segid B and resid 208 and name HD3 ))
3.900 3.900 2.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.80650E-03 ppm1 1.593 ppm2 3.439 CV 1
OR { 251}
(( segid B and resid 209 and name HG2 ))
(( segid B and resid 210 and name HD3 ))
ASSI { 252}
(( segid B and resid 209 and name HG2 ))
(( segid B and resid 210 and name HD2 ))
4.600 1.200 1.200 peak 252 spectrum 1 weight 0.10000E+01 volume 0.56365E-03 ppm1 1.583 ppm2 3.683 CV 1
OR { 252}
(( segid B and resid 208 and name HG2 ))
(( segid B and resid 207 and name HD3 ))
OR { 252}
(( segid B and resid 209 and name HD3 ))
(( segid B and resid 210 and name HD2 ))
ASSI { 308}
(( segid B and resid 199 and name HB2 ))
(( segid B and resid 199 and name HG2 ))
1.900 0.700 0.700 peak 308 spectrum 1 weight 0.10000E+01 volume 0.29249E-01 ppm1 2.316 ppm2 2.013 CV 1
OR { 308}
(( segid B and resid 207 and name HB2 ))
(( segid B and resid 207 and name HG2 ))
OR { 308}
(( segid B and resid 199 and name HB2 ))
(( segid B and resid 199 and name HG3 ))
OR { 308}
(( segid B and resid 207 and name HB2 ))
(( segid B and resid 207 and name HG3 ))
ASSI { 309}
(( segid B and resid 210 and name HA ))
(( segid B and resid 210 and name HG2 ))
3.300 1.000 1.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.43389E-02 ppm1 4.337 ppm2 1.931 CV 1
OR { 309}
(( segid B and resid 210 and name HA ))
(( segid B and resid 210 and name HG3 ))
OR { 309}
(( segid B and resid 209 and name HA ))
(( segid B and resid 210 and name HG3 ))
ASSI { 330}
(( segid B and resid 209 and name HD2 ))
(( segid B and resid 208 and name HB2 ))
3.700 1.000 1.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.17044E-02 ppm1 3.026 ppm2 1.245 CV 1
OR { 330}
(( segid A and resid 314 and name HB3 ))
(( segid B and resid 208 and name HB2 ))
ASSI { 332}
(( segid A and resid 324 and name HB3 ))
(( segid B and resid 208 and name HB2 ))
4.400 1.200 1.200 peak 332 spectrum 1 weight 0.10000E+01 volume 0.55736E-03 ppm1 2.231 ppm2 1.249 CV 1
OR { 332}
(( segid B and resid 209 and name HB3 ))
(( segid B and resid 208 and name HB2 ))
ASSI { 336}
(( segid A and resid 314 and name HB3 ))
(( segid B and resid 208 and name HB3 ))
3.800 1.100 1.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.63256E-03 ppm1 3.028 ppm2 0.669 CV 1
OR { 336}
(( segid B and resid 209 and name HD2 ))
(( segid B and resid 208 and name HB3 ))
ASSI { 347}
(( segid B and resid 207 and name HD2 ))
(( segid B and resid 207 and name HG3 ))
2.600 0.800 0.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.34344E-02 ppm1 3.787 ppm2 1.984 CV 1
OR { 347}
(( segid B and resid 207 and name HD2 ))
(( segid B and resid 207 and name HG2 ))
OR { 347}
(( segid B and resid 215 and name HD3 ))
(( segid B and resid 215 and name HG3 ))
ASSI { 385}
(( segid B and resid 216 and name HG3 ))
(( segid B and resid 212 and name HB3 ))
4.100 1.100 1.100 peak 385 spectrum 1 weight 0.10000E+01 volume 0.77460E-03 ppm1 2.549 ppm2 3.583 CV 1
OR { 385}
(( segid B and resid 214 and name HB3 ))
(( segid B and resid 212 and name HB3 ))
OR { 385}
(( segid B and resid 216 and name HG2 ))
(( segid B and resid 212 and name HB3 ))
ASSI { 389}
(( segid B and resid 216 and name HG3 ))
(( segid B and resid 212 and name HB2 ))
4.300 1.200 1.200 peak 389 spectrum 1 weight 0.10000E+01 volume 0.46609E-03 ppm1 2.575 ppm2 3.813 CV 1
OR { 389}
(( segid B and resid 216 and name HG2 ))
(( segid B and resid 212 and name HB2 ))
OR { 389}
(( segid B and resid 211 and name HB2 ))
(( segid B and resid 212 and name HB2 ))
ASSI { 404}
(( segid A and resid 321 and name HB2 ))
(( segid B and resid 211 and name HB2 ))
4.600 1.200 1.200 peak 404 spectrum 1 weight 0.10000E+01 volume 0.40091E-03 ppm1 1.815 ppm2 2.563 CV 1
OR { 404}
(( segid B and resid 210 and name HB3 ))
(( segid B and resid 211 and name HB2 ))
ASSI { 438}
(( segid A and resid 316 and name HA ))
(( segid B and resid 211 and name HA ))
4.300 1.200 1.200 peak 438 spectrum 1 weight 0.10000E+01 volume 0.45026E-03 ppm1 4.300 ppm2 3.426 CV 1
OR { 438}
(( segid B and resid 210 and name HA ))
(( segid B and resid 211 and name HA ))
ASSI { 452}
(( segid B and resid 215 and name HB3 ))
(( segid B and resid 217 and name HN ))
3.600 3.600 2.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.95219E-03 ppm1 2.058 ppm2 7.879 CV 1
OR { 452}
( segid B and resid 216 and name HE% )
(( segid B and resid 217 and name HN ))
ASSI { 460}
(( segid B and resid 216 and name HB2 ))
(( segid B and resid 216 and name HN ))
3.900 1.100 1.100 peak 460 spectrum 1 weight 0.10000E+01 volume 0.72219E-03 ppm1 2.186 ppm2 8.563 CV 1
OR { 460}
(( segid B and resid 215 and name HB2 ))
(( segid B and resid 216 and name HN ))
ASSI { 466}
(( segid B and resid 207 and name HD2 ))
(( segid B and resid 205 and name HN ))
4.400 1.200 1.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.39066E-03 ppm1 3.809 ppm2 8.164 CV 1
OR { 466}
(( segid B and resid 206 and name HB3 ))
(( segid B and resid 205 and name HN ))
ASSI { 3}
(( segid A and resid 300 and name HD2 ))
(( segid A and resid 303 and name HE1 ))
4.300 1.200 1.200 peak 3 spectrum 1 weight 0.10000E+01 volume 0.59272E-03 ppm1 3.283 ppm2 10.168 CV 1
OR { 3}
(( segid A and resid 303 and name HB3 ))
(( segid A and resid 303 and name HE1 ))
ASSI { 10}
(( segid A and resid 303 and name HB2 ))
(( segid A and resid 303 and name HE1 ))
4.500 1.200 1.200 peak 10 spectrum 1 weight 0.10000E+01 volume 0.42854E-03 ppm1 3.099 ppm2 10.168 CV 1
OR { 10}
(( segid A and resid 319 and name HB2 ))
(( segid A and resid 303 and name HE1 ))
ASSI { 20}
(( segid A and resid 312 and name HA ))
(( segid A and resid 308 and name HN ))
4.400 1.200 1.200 peak 20 spectrum 1 weight 0.10000E+01 volume 0.43326E-03 ppm1 4.466 ppm2 9.581 CV 1
OR { 20}
(( segid A and resid 306 and name HA ))
(( segid A and resid 308 and name HN ))
ASSI { 44}
(( segid A and resid 305 and name HG12))
(( segid A and resid 304 and name HN ))
4.300 1.200 1.200 peak 44 spectrum 1 weight 0.10000E+01 volume 0.45281E-03 ppm1 1.481 ppm2 9.462 CV 1
OR { 44}
(( segid A and resid 306 and name HB2 ))
(( segid A and resid 304 and name HN ))
ASSI { 59}
(( segid A and resid 303 and name HB2 ))
(( segid A and resid 304 and name HN ))
3.200 0.900 0.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.30756E-02 ppm1 3.153 ppm2 9.456 CV 1
OR { 59}
(( segid A and resid 315 and name HB3 ))
(( segid A and resid 304 and name HN ))
ASSI { 63}
( segid A and resid 315 and name HD% )
(( segid A and resid 304 and name HN ))
4.100 1.100 1.100 peak 63 spectrum 1 weight 0.10000E+01 volume 0.41600E-03 ppm1 7.094 ppm2 9.450 CV 1
OR { 63}
(( segid A and resid 303 and name HD1 ))
(( segid A and resid 304 and name HN ))
ASSI { 66}
( segid A and resid 315 and name HD% )
(( segid A and resid 324 and name HN ))
4.400 1.200 1.200 peak 66 spectrum 1 weight 0.10000E+01 volume 0.47593E-03 ppm1 7.057 ppm2 9.140 CV 1
OR { 66}
(( segid A and resid 303 and name HH2 ))
(( segid A and resid 324 and name HN ))
ASSI { 76}
(( segid B and resid 208 and name HB2 ))
(( segid A and resid 324 and name HN ))
3.600 1.000 1.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.16054E-02 ppm1 1.246 ppm2 9.142 CV 1
OR { 76}
( segid A and resid 323 and name HG2%)
(( segid A and resid 324 and name HN ))
ASSI { 77}
(( segid A and resid 306 and name HN ))
(( segid A and resid 315 and name HN ))
4.300 1.200 1.200 peak 77 spectrum 1 weight 0.10000E+01 volume 0.41160E-03 ppm1 8.263 ppm2 9.072 CV 1
OR { 77}
(( segid A and resid 317 and name HN ))
(( segid A and resid 315 and name HN ))
ASSI { 79}
( segid A and resid 315 and name HE% )
(( segid A and resid 315 and name HN ))
4.300 1.200 1.200 peak 79 spectrum 1 weight 0.10000E+01 volume 0.82926E-03 ppm1 7.226 ppm2 9.070 CV 1
OR { 79}
( segid A and resid 325 and name HE% )
(( segid A and resid 315 and name HN ))
ASSI { 82}
(( segid A and resid 315 and name HA ))
(( segid A and resid 315 and name HN ))
2.800 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.29382E-02 ppm1 5.184 ppm2 9.073 CV 1
OR { 82}
(( segid A and resid 325 and name HA ))
(( segid A and resid 315 and name HN ))
ASSI { 86}
(( segid A and resid 328 and name HD2 ))
(( segid A and resid 315 and name HN ))
3.900 3.900 2.100 peak 86 spectrum 1 weight 0.10000E+01 volume 0.42952E-03 ppm1 2.787 ppm2 9.081 CV 1
OR { 86}
(( segid A and resid 312 and name HD3 ))
(( segid A and resid 315 and name HN ))
ASSI { 88}
(( segid A and resid 306 and name HB2 ))
(( segid A and resid 315 and name HN ))
4.600 1.200 1.200 peak 88 spectrum 1 weight 0.10000E+01 volume 0.41648E-03 ppm1 1.488 ppm2 9.076 CV 1
OR { 88}
( segid A and resid 308 and name HG2%)
(( segid A and resid 315 and name HN ))
OR { 88}
(( segid A and resid 305 and name HG12))
(( segid A and resid 315 and name HN ))
ASSI { 89}
( segid A and resid 313 and name HG1%)
(( segid A and resid 315 and name HN ))
4.100 1.100 1.100 peak 89 spectrum 1 weight 0.10000E+01 volume 0.55168E-03 ppm1 0.749 ppm2 9.076 CV 1
OR { 89}
( segid A and resid 305 and name HG2%)
(( segid A and resid 315 and name HN ))
ASSI { 92}
(( segid A and resid 323 and name HB ))
(( segid A and resid 315 and name HN ))
4.200 1.100 1.100 peak 92 spectrum 1 weight 0.10000E+01 volume 0.49972E-03 ppm1 4.218 ppm2 9.060 CV 1
OR { 92}
(( segid A and resid 316 and name HA ))
(( segid A and resid 315 and name HN ))
ASSI { 108}
( segid A and resid 315 and name HD% )
(( segid A and resid 314 and name HN ))
4.300 1.200 1.200 peak 108 spectrum 1 weight 0.10000E+01 volume 0.50363E-03 ppm1 7.057 ppm2 8.885 CV 1
OR { 108}
(( segid A and resid 307 and name HD21))
(( segid A and resid 314 and name HN ))
ASSI { 111}
(( segid A and resid 305 and name HA ))
(( segid A and resid 314 and name HN ))
3.900 1.100 1.100 peak 111 spectrum 1 weight 0.10000E+01 volume 0.93298E-03 ppm1 4.444 ppm2 8.886 CV 1
OR { 111}
(( segid A and resid 306 and name HA ))
(( segid A and resid 314 and name HN ))
ASSI { 116}
(( segid A and resid 321 and name HN ))
(( segid A and resid 318 and name HN ))
4.300 1.200 1.200 peak 116 spectrum 1 weight 0.10000E+01 volume 0.42707E-03 ppm1 7.543 ppm2 8.791 CV 1
OR { 116}
(( segid A and resid 319 and name HD22))
(( segid A and resid 318 and name HN ))
ASSI { 175}
(( segid A and resid 328 and name HD3 ))
(( segid A and resid 329 and name HN ))
3.800 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.12561E-02 ppm1 2.637 ppm2 8.539 CV 1
OR { 175}
(( segid A and resid 327 and name HB2 ))
(( segid A and resid 329 and name HN ))
ASSI { 191}
(( segid A and resid 320 and name HA ))
(( segid A and resid 320 and name HD22))
4.400 1.200 1.200 peak 191 spectrum 1 weight 0.10000E+01 volume 0.66602E-03 ppm1 4.607 ppm2 8.467 CV 1
OR { 191}
(( segid A and resid 320 and name HA ))
(( segid A and resid 319 and name HN ))
ASSI { 192}
(( segid A and resid 320 and name HB2 ))
(( segid A and resid 320 and name HD22))
3.300 3.300 2.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.43389E-02 ppm1 2.603 ppm2 8.471 CV 1
OR { 192}
(( segid A and resid 319 and name HB3 ))
(( segid A and resid 319 and name HN ))
ASSI { 199}
(( segid A and resid 319 and name HB2 ))
(( segid A and resid 319 and name HN ))
2.400 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.61722E-02 ppm1 3.052 ppm2 8.478 CV 1
OR { 199}
(( segid A and resid 318 and name HB2 ))
(( segid A and resid 319 and name HN ))
ASSI { 200}
(( segid A and resid 317 and name HB3 ))
(( segid A and resid 320 and name HD22))
4.200 1.100 1.100 peak 200 spectrum 1 weight 0.10000E+01 volume 0.44352E-03 ppm1 0.087 ppm2 8.483 CV 1
OR { 200}
(( segid A and resid 317 and name HB3 ))
(( segid A and resid 319 and name HN ))
ASSI { 204}
(( segid A and resid 320 and name HN ))
(( segid A and resid 317 and name HN ))
4.500 1.200 1.200 peak 204 spectrum 1 weight 0.10000E+01 volume 0.43815E-03 ppm1 6.845 ppm2 8.278 CV 1
OR { 204}
( segid A and resid 314 and name HD% )
(( segid A and resid 317 and name HN ))
ASSI { 219}
(( segid A and resid 306 and name HD3 ))
(( segid A and resid 306 and name HN ))
4.500 1.200 1.200 peak 219 spectrum 1 weight 0.10000E+01 volume 0.43619E-03 ppm1 3.081 ppm2 8.308 CV 1
OR { 219}
(( segid A and resid 314 and name HB3 ))
(( segid A and resid 306 and name HN ))
ASSI { 229}
(( segid A and resid 306 and name HG3 ))
(( segid A and resid 306 and name HN ))
3.300 1.000 1.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.13718E-02 ppm1 1.033 ppm2 8.298 CV 1
OR { 229}
( segid A and resid 313 and name HG2%)
(( segid A and resid 306 and name HN ))
ASSI { 246}
( segid A and resid 305 and name HG2%)
(( segid A and resid 307 and name HN ))
4.300 1.200 1.200 peak 246 spectrum 1 weight 0.10000E+01 volume 0.42284E-03 ppm1 0.744 ppm2 8.180 CV 1
OR { 246}
( segid A and resid 313 and name HG1%)
(( segid A and resid 307 and name HN ))
ASSI { 247}
(( segid A and resid 331 and name HA ))
(( segid A and resid 332 and name HN ))
3.700 3.700 2.300 peak 247 spectrum 1 weight 0.10000E+01 volume 0.64647E-03 ppm1 4.357 ppm2 8.179 CV 1
OR { 247}
(( segid A and resid 332 and name HA ))
(( segid A and resid 332 and name HN ))
ASSI { 262}
(( segid A and resid 320 and name HB2 ))
(( segid A and resid 323 and name HN ))
4.600 1.200 1.200 peak 262 spectrum 1 weight 0.10000E+01 volume 0.48327E-03 ppm1 2.599 ppm2 8.067 CV 1
OR { 262}
(( segid A and resid 314 and name HB2 ))
(( segid A and resid 323 and name HN ))
ASSI { 265}
(( segid A and resid 303 and name HH2 ))
(( segid A and resid 324 and name HE21))
3.500 1.000 1.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.11905E-02 ppm1 7.050 ppm2 8.046 CV 1
OR { 265}
( segid A and resid 315 and name HD% )
(( segid A and resid 324 and name HE21))
ASSI { 266}
(( segid A and resid 326 and name HB ))
(( segid A and resid 324 and name HE21))
3.100 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.23403E-02 ppm1 3.972 ppm2 8.044 CV 1
OR { 266}
(( segid A and resid 328 and name HA ))
(( segid A and resid 324 and name HE21))
ASSI { 315}
( segid B and resid 211 and name HD% )
(( segid A and resid 321 and name HN ))
3.600 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.41551E-03 ppm1 6.670 ppm2 7.524 CV 1
OR { 315}
(( segid A and resid 303 and name HZ3 ))
(( segid A and resid 321 and name HN ))
ASSI { 322}
(( segid A and resid 319 and name HN ))
(( segid A and resid 321 and name HN ))
3.200 0.900 0.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.21360E-02 ppm1 8.475 ppm2 7.542 CV 1
OR { 322}
(( segid A and resid 319 and name HN ))
(( segid A and resid 319 and name HD22))
ASSI { 332}
(( segid A and resid 324 and name HE22))
(( segid A and resid 326 and name HN ))
4.500 1.200 1.200 peak 332 spectrum 1 weight 0.10000E+01 volume 0.43440E-03 ppm1 7.268 ppm2 7.447 CV 1
OR { 332}
( segid A and resid 315 and name HE% )
(( segid A and resid 326 and name HN ))
ASSI { 350}
(( segid A and resid 318 and name HA ))
(( segid A and resid 322 and name HN ))
4.000 1.100 1.100 peak 350 spectrum 1 weight 0.10000E+01 volume 0.86358E-03 ppm1 4.266 ppm2 7.434 CV 1
OR { 350}
(( segid A and resid 316 and name HA ))
(( segid A and resid 322 and name HN ))
ASSI { 360}
(( segid A and resid 303 and name HH2 ))
(( segid A and resid 324 and name HE22))
3.200 0.900 0.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.16514E-02 ppm1 7.048 ppm2 7.251 CV 1
OR { 360}
( segid A and resid 315 and name HD% )
(( segid A and resid 324 and name HE22))
ASSI { 362}
(( segid A and resid 328 and name HA ))
(( segid A and resid 324 and name HE22))
2.900 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.23832E-02 ppm1 3.963 ppm2 7.253 CV 1
OR { 362}
(( segid A and resid 326 and name HB ))
(( segid A and resid 324 and name HE22))
ASSI { 382}
(( segid A and resid 312 and name HA ))
(( segid A and resid 307 and name HD21))
4.400 1.200 1.200 peak 382 spectrum 1 weight 0.10000E+01 volume 0.38407E-03 ppm1 4.450 ppm2 7.052 CV 1
OR { 382}
(( segid A and resid 306 and name HA ))
(( segid A and resid 307 and name HD21))
ASSI { 385}
( segid A and resid 313 and name HG1%)
(( segid A and resid 307 and name HD21))
3.900 1.100 1.100 peak 385 spectrum 1 weight 0.10000E+01 volume 0.60380E-03 ppm1 0.744 ppm2 7.049 CV 1
OR { 385}
( segid A and resid 305 and name HG2%)
(( segid A and resid 307 and name HD21))
ASSI { 402}
(( segid A and resid 320 and name HB2 ))
(( segid A and resid 320 and name HN ))
2.700 0.800 0.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.39072E-02 ppm1 2.603 ppm2 6.856 CV 1
OR { 402}
(( segid A and resid 319 and name HB3 ))
(( segid A and resid 320 and name HN ))
ASSI { 403}
(( segid A and resid 320 and name HB3 ))
(( segid A and resid 320 and name HN ))
3.200 0.900 0.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.37868E-02 ppm1 2.217 ppm2 6.856 CV 1
OR { 403}
(( segid A and resid 317 and name HB2 ))
(( segid A and resid 320 and name HN ))
ASSI { 424}
(( segid A and resid 328 and name HD2 ))
(( segid A and resid 330 and name HN ))
3.900 1.100 1.100 peak 424 spectrum 1 weight 0.10000E+01 volume 0.57654E-03 ppm1 2.773 ppm2 7.219 CV 1
OR { 424}
(( segid A and resid 300 and name HD3 ))
(( segid A and resid 330 and name HN ))
ASSI { 1}
( segid A and resid 309 and name HB% )
(( segid A and resid 309 and name HA ))
3.000 3.000 3.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.27110E-02 ppm1 1.544 ppm2 4.286 CV 1
OR { 1}
(( segid A and resid 330 and name HB3 ))
(( segid A and resid 330 and name HA ))
ASSI { 2}
(( segid A and resid 321 and name HB2 ))
(( segid A and resid 322 and name HB ))
3.500 3.500 2.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.15661E-02 ppm1 1.714 ppm2 4.181 CV 1
OR { 2}
(( segid B and resid 210 and name HB3 ))
(( segid A and resid 322 and name HB ))
OR { 2}
(( segid A and resid 312 and name HB3 ))
(( segid A and resid 323 and name HB ))
OR { 2}
(( segid A and resid 306 and name HG2 ))
(( segid A and resid 323 and name HB ))
ASSI { 5}
( segid B and resid 211 and name HD% )
( segid A and resid 323 and name HG2%)
2.800 0.700 0.700 peak 5 spectrum 1 weight 0.10000E+01 volume 0.31158E-02 ppm1 6.709 ppm2 1.249 CV 1
OR { 5}
(( segid A and resid 303 and name HZ3 ))
( segid A and resid 323 and name HG2%)
ASSI { 21}
(( segid A and resid 304 and name HB2 ))
( segid A and resid 316 and name HG2%)
3.900 1.000 1.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.22732E-02 ppm1 2.212 ppm2 0.592 CV 1
OR { 21}
(( segid A and resid 304 and name HG3 ))
( segid A and resid 316 and name HG2%)
OR { 21}
(( segid A and resid 317 and name HB2 ))
( segid A and resid 316 and name HG2%)
ASSI { 25}
(( segid B and resid 210 and name HD2 ))
( segid A and resid 314 and name HE% )
3.600 0.900 0.900 peak 25 spectrum 1 weight 0.10000E+01 volume 0.17084E-02 ppm1 3.703 ppm2 6.315 CV 1
OR { 25}
(( segid B and resid 215 and name HD3 ))
( segid A and resid 314 and name HE% )
ASSI { 33}
(( segid A and resid 312 and name HG3 ))
(( segid A and resid 312 and name HD2 ))
3.100 0.800 0.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.20076E-02 ppm1 1.745 ppm2 2.981 CV 1
OR { 33}
(( segid A and resid 312 and name HG2 ))
(( segid A and resid 312 and name HD2 ))
OR { 33}
(( segid A and resid 312 and name HB3 ))
(( segid A and resid 312 and name HD2 ))
OR { 33}
(( segid A and resid 321 and name HB2 ))
(( segid A and resid 321 and name HD3 ))
ASSI { 19}
(( segid B and resid 214 and name HB2 ))
(( segid B and resid 215 and name HG2 ))
4.300 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.16377E-02 ppm1 3.081 ppm2 2.172 CV 1
OR { 19}
(( segid A and resid 306 and name HD3 ))
(( segid B and resid 215 and name HG2 ))
ASSI { 20}
(( segid A and resid 306 and name HD3 ))
(( segid B and resid 215 and name HG3 ))
3.700 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.20005E-02 ppm1 3.100 ppm2 1.976 CV 1
OR { 20}
(( segid B and resid 214 and name HB2 ))
(( segid B and resid 215 and name HG3 ))
ASSI { 21}
(( segid A and resid 306 and name HD2 ))
(( segid B and resid 215 and name HG3 ))
4.800 1.200 1.200 peak 21 spectrum 1 weight 0.10000E+01 volume 0.90297E-03 ppm1 2.670 ppm2 1.978 CV 1
OR { 21}
(( segid B and resid 214 and name HB3 ))
(( segid B and resid 215 and name HG3 ))
ASSI { 24}
(( segid B and resid 215 and name HD2 ))
(( segid B and resid 215 and name HG3 ))
4.200 4.200 1.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.84158E-03 ppm1 3.940 ppm2 1.986 CV 1
OR { 24}
(( segid B and resid 198 and name HA2 ))
(( segid B and resid 199 and name HG2 ))
OR { 24}
(( segid B and resid 198 and name HA2 ))
(( segid B and resid 199 and name HG3 ))
ASSI { 34}
(( segid B and resid 208 and name HA ))
(( segid B and resid 208 and name HG2 ))
3.600 0.900 0.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.17229E-02 ppm1 4.135 ppm2 1.533 CV 1
OR { 34}
(( segid A and resid 323 and name HB ))
(( segid B and resid 208 and name HG2 ))
ASSI { 35}
(( segid B and resid 208 and name HA ))
(( segid B and resid 208 and name HG3 ))
3.600 0.900 0.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.12659E-02 ppm1 4.163 ppm2 1.086 CV 1
OR { 35}
(( segid A and resid 323 and name HB ))
(( segid B and resid 208 and name HG3 ))
ASSI { 36}
(( segid A and resid 324 and name HA ))
(( segid B and resid 208 and name HG3 ))
2.800 0.700 0.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.39347E-02 ppm1 4.857 ppm2 1.083 CV 1
OR { 36}
(( segid A and resid 314 and name HA ))
(( segid B and resid 208 and name HG3 ))
ASSI { 37}
(( segid A and resid 314 and name HB2 ))
(( segid B and resid 208 and name HG2 ))
4.600 1.100 1.100 peak 37 spectrum 1 weight 0.10000E+01 volume 0.10910E-02 ppm1 2.613 ppm2 1.537 CV 1
OR { 37}
(( segid A and resid 324 and name HB2 ))
(( segid B and resid 208 and name HG2 ))
ASSI { 38}
(( segid A and resid 324 and name HB3 ))
(( segid B and resid 208 and name HG2 ))
4.300 1.100 1.100 peak 38 spectrum 1 weight 0.10000E+01 volume 0.12317E-02 ppm1 2.247 ppm2 1.541 CV 1
OR { 38}
(( segid B and resid 207 and name HB2 ))
(( segid B and resid 208 and name HG2 ))
ASSI { 40}
(( segid A and resid 314 and name HB2 ))
(( segid B and resid 208 and name HG3 ))
3.900 1.000 1.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.10068E-02 ppm1 2.604 ppm2 1.082 CV 1
OR { 40}
(( segid A and resid 324 and name HB2 ))
(( segid B and resid 208 and name HG3 ))
ASSI { 45}
(( segid B and resid 207 and name HA ))
(( segid B and resid 208 and name HD3 ))
3.600 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.28097E-02 ppm1 4.864 ppm2 3.406 CV 1
OR { 45}
(( segid A and resid 324 and name HA ))
(( segid B and resid 208 and name HD3 ))
ASSI { 47}
(( segid B and resid 207 and name HA ))
(( segid B and resid 208 and name HD2 ))
3.400 0.900 0.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.25749E-02 ppm1 4.853 ppm2 3.581 CV 1
OR { 47}
(( segid A and resid 324 and name HA ))
(( segid B and resid 208 and name HD2 ))
ASSI { 51}
(( segid B and resid 209 and name HB2 ))
(( segid B and resid 210 and name HD3 ))
3.700 3.700 2.300 peak 51 spectrum 1 weight 0.10000E+01 volume 0.12516E-02 ppm1 1.199 ppm2 3.406 CV 1
OR { 51}
(( segid B and resid 208 and name HB2 ))
(( segid B and resid 208 and name HD3 ))
ASSI { 74}
(( segid A and resid 318 and name HA ))
(( segid B and resid 213 and name HD3 ))
4.000 1.000 1.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.11252E-02 ppm1 4.273 ppm2 2.934 CV 1
OR { 74}
(( segid A and resid 318 and name HA ))
(( segid B and resid 213 and name HD2 ))
OR { 74}
(( segid A and resid 316 and name HA ))
(( segid B and resid 213 and name HD3 ))
ASSI { 87}
(( segid B and resid 216 and name HG3 ))
(( segid B and resid 210 and name HA ))
3.000 3.000 3.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.15164E-02 ppm1 2.439 ppm2 4.313 CV 1
OR { 87}
(( segid A and resid 324 and name HG3 ))
(( segid B and resid 210 and name HA ))
OR { 87}
(( segid A and resid 304 and name HG2 ))
(( segid B and resid 210 and name HA ))
OR { 87}
(( segid A and resid 307 and name HB3 ))
(( segid B and resid 210 and name HA ))
ASSI { 89}
(( segid A and resid 316 and name HA ))
(( segid B and resid 211 and name HA ))
3.800 1.000 1.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.17616E-02 ppm1 4.174 ppm2 3.432 CV 1
OR { 89}
(( segid A and resid 323 and name HB ))
(( segid B and resid 211 and name HA ))
OR { 89}
(( segid A and resid 322 and name HB ))
(( segid B and resid 211 and name HA ))
ASSI { 121}
(( segid A and resid 318 and name HA ))
(( segid B and resid 213 and name HG2 ))
4.000 1.000 1.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.95922E-03 ppm1 4.241 ppm2 1.151 CV 1
OR { 121}
(( segid A and resid 316 and name HA ))
(( segid B and resid 213 and name HG2 ))
ASSI { 136}
(( segid B and resid 207 and name HB2 ))
(( segid B and resid 208 and name HD2 ))
4.300 4.300 1.700 peak 136 spectrum 1 weight 0.10000E+01 volume 0.10078E-02 ppm1 2.269 ppm2 3.588 CV 1
OR { 136}
(( segid B and resid 199 and name HB2 ))
(( segid B and resid 199 and name HD2 ))
OR { 136}
(( segid B and resid 199 and name HB2 ))
(( segid B and resid 199 and name HD3 ))
ASSI { 145}
(( segid A and resid 323 and name HB ))
(( segid B and resid 208 and name HB2 ))
2.600 0.700 0.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.22325E-02 ppm1 4.139 ppm2 1.244 CV 1
OR { 145}
(( segid B and resid 208 and name HA ))
(( segid B and resid 208 and name HB2 ))
ASSI { 152}
(( segid B and resid 209 and name HB2 ))
( segid B and resid 216 and name HE% )
3.700 0.900 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.16090E-02 ppm1 1.197 ppm2 2.072 CV 1
OR { 152}
( segid A and resid 323 and name HG2%)
( segid B and resid 216 and name HE% )
OR { 152}
(( segid B and resid 213 and name HG2 ))
( segid B and resid 216 and name HE% )
ASSI { 153}
(( segid B and resid 213 and name HB3 ))
( segid B and resid 216 and name HE% )
4.100 1.000 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.11174E-02 ppm1 1.496 ppm2 2.071 CV 1
OR { 153}
(( segid B and resid 209 and name HG2 ))
( segid B and resid 216 and name HE% )
OR { 153}
(( segid A and resid 306 and name HB2 ))
( segid B and resid 216 and name HE% )
Contact the webmaster for help, if required. Friday, May 10, 2024 8:46:26 AM GMT (wattos1)