NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
14439 |
1wr3   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 3}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 5 and name HN ))
2.800 1.000 1.000 peak 3 spectrum 1 weight .10000E+01 volume .19648E-02 ppm1 2.267 ppm2 8.374 CV 1
ASSI { 4}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 5 and name HN ))
3.200 1.300 1.300 peak 4 spectrum 1 weight .10000E+01 volume .76730E-03 ppm1 1.964 ppm2 8.372 CV 1
ASSI { 5}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
2.000 .500 .500 peak 5 spectrum 1 weight .10000E+01 volume .15554E-01 ppm1 4.387 ppm2 8.373 CV 1
ASSI { 6}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HN ))
2.300 .700 .700 peak 6 spectrum 1 weight .10000E+01 volume .62551E-02 ppm1 1.820 ppm2 8.373 CV 1
ASSI { 7}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HN ))
2.300 .700 .700 peak 7 spectrum 1 weight .10000E+01 volume .60055E-02 ppm1 1.692 ppm2 8.373 CV 1
ASSI { 8}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HN ))
2.800 .900 .900 peak 8 spectrum 1 weight .10000E+01 volume .20364E-02 ppm1 1.000 ppm2 8.373 CV 1
ASSI { 9}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 9 and name HN ))
3.300 1.400 1.400 peak 9 spectrum 1 weight .10000E+01 volume .69290E-03 ppm1 1.001 ppm2 7.467 CV 1
ASSI { 10}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 10 and name HN ))
3.100 1.200 1.200 peak 10 spectrum 1 weight .10000E+01 volume .90726E-03 ppm1 1.002 ppm2 9.283 CV 1
ASSI { 11}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 11 and name HN ))
2.500 .800 .800 peak 11 spectrum 1 weight .10000E+01 volume .35866E-02 ppm1 1.000 ppm2 8.732 CV 1
ASSI { 12}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 22 and name HN ))
3.600 1.700 1.700 peak 12 spectrum 1 weight .10000E+01 volume .37475E-03 ppm1 1.002 ppm2 9.000 CV 1
ASSI { 13}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 5 and name HN ))
2.900 1.000 1.000 peak 13 spectrum 1 weight .10000E+01 volume .15609E-02 ppm1 .691 ppm2 8.374 CV 1
ASSI { 14}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 11 and name HN ))
3.400 1.400 1.400 peak 14 spectrum 1 weight .10000E+01 volume .58920E-03 ppm1 .689 ppm2 8.733 CV 1
ASSI { 15}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 5 and name HN ))
2.600 .900 .900 peak 15 spectrum 1 weight .10000E+01 volume .25907E-02 ppm1 1.342 ppm2 8.373 CV 1
ASSI { 16}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 9 and name HN ))
3.200 1.300 1.300 peak 16 spectrum 1 weight .10000E+01 volume .77370E-03 ppm1 1.340 ppm2 7.465 CV 1
ASSI { 17}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 9 and name HE1 ))
3.400 1.500 1.500 peak 17 spectrum 1 weight .10000E+01 volume .56048E-03 ppm1 2.491 ppm2 10.473 CV 1
ASSI { 18}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 9 and name HE1 ))
3.100 1.200 1.200 peak 18 spectrum 1 weight .10000E+01 volume .10770E-02 ppm1 1.933 ppm2 10.478 CV 1
ASSI { 19}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 9 and name HN ))
3.500 1.500 1.500 peak 19 spectrum 1 weight .10000E+01 volume .47047E-03 ppm1 1.925 ppm2 7.467 CV 1
ASSI { 20}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 9 and name HE1 ))
3.500 1.500 1.500 peak 20 spectrum 1 weight .10000E+01 volume .49944E-03 ppm1 2.789 ppm2 10.473 CV 1
ASSI { 21}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 9 and name HE1 ))
3.400 1.500 1.500 peak 21 spectrum 1 weight .10000E+01 volume .55734E-03 ppm1 1.626 ppm2 10.477 CV 1
ASSI { 22}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 9 and name HE1 ))
3.300 1.400 1.400 peak 22 spectrum 1 weight .10000E+01 volume .66645E-03 ppm1 1.457 ppm2 10.476 CV 1
ASSI { 23}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
2.400 .700 .700 peak 23 spectrum 1 weight .10000E+01 volume .44051E-02 ppm1 4.387 ppm2 8.772 CV 1
ASSI { 24}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 9 and name HD1 ))
3.400 1.400 1.400 peak 24 spectrum 1 weight .10000E+01 volume .58068E-03 ppm1 4.387 ppm2 6.959 CV 1
ASSI { 25}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 9 and name HN ))
2.900 1.100 1.100 peak 25 spectrum 1 weight .10000E+01 volume .13622E-02 ppm1 4.387 ppm2 7.467 CV 1
ASSI { 26}
(( segid " " and resid 8 and name HA1 ))
(( segid " " and resid 8 and name HN ))
2.900 1.000 1.000 peak 26 spectrum 1 weight .10000E+01 volume .15301E-02 ppm1 4.159 ppm2 8.770 CV 1
ASSI { 27}
(( segid " " and resid 8 and name HA1 ))
(( segid " " and resid 9 and name HN ))
2.900 1.100 1.100 peak 27 spectrum 1 weight .10000E+01 volume .13700E-02 ppm1 4.154 ppm2 7.466 CV 1
ASSI { 28}
(( segid " " and resid 8 and name HA1 ))
(( segid " " and resid 25 and name HD21))
3.300 1.400 1.400 peak 28 spectrum 1 weight .10000E+01 volume .63907E-03 ppm1 4.156 ppm2 7.532 CV 1
ASSI { 29}
(( segid " " and resid 8 and name HA1 ))
(( segid " " and resid 25 and name HD22))
3.100 1.200 1.200 peak 29 spectrum 1 weight .10000E+01 volume .91056E-03 ppm1 4.155 ppm2 7.116 CV 1
ASSI { 30}
(( segid " " and resid 8 and name HA2 ))
(( segid " " and resid 8 and name HN ))
2.500 .800 .800 peak 30 spectrum 1 weight .10000E+01 volume .33409E-02 ppm1 3.606 ppm2 8.772 CV 1
ASSI { 31}
(( segid " " and resid 8 and name HA2 ))
(( segid " " and resid 9 and name HN ))
3.100 1.200 1.200 peak 31 spectrum 1 weight .10000E+01 volume .10301E-02 ppm1 3.605 ppm2 7.468 CV 1
ASSI { 32}
(( segid " " and resid 8 and name HA2 ))
(( segid " " and resid 25 and name HD22))
3.300 1.400 1.400 peak 32 spectrum 1 weight .10000E+01 volume .68565E-03 ppm1 3.606 ppm2 7.120 CV 1
ASSI { 33}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
2.800 1.000 1.000 peak 33 spectrum 1 weight .10000E+01 volume .17667E-02 ppm1 5.481 ppm2 7.467 CV 1
ASSI { 34}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
2.400 .700 .700 peak 34 spectrum 1 weight .10000E+01 volume .45551E-02 ppm1 5.480 ppm2 9.284 CV 1
ASSI { 35}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 24 and name HN ))
3.200 1.200 1.200 peak 35 spectrum 1 weight .10000E+01 volume .88528E-03 ppm1 5.481 ppm2 8.665 CV 1
ASSI { 36}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HN ))
2.400 .700 .700 peak 36 spectrum 1 weight .10000E+01 volume .50012E-02 ppm1 3.162 ppm2 7.467 CV 1
ASSI { 37}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 10 and name HN ))
3.400 1.500 1.500 peak 37 spectrum 1 weight .10000E+01 volume .55566E-03 ppm1 3.150 ppm2 9.283 CV 1
ASSI { 38}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HN ))
2.700 .900 .900 peak 38 spectrum 1 weight .10000E+01 volume .24117E-02 ppm1 2.928 ppm2 7.466 CV 1
ASSI { 39}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 10 and name HN ))
3.000 1.100 1.100 peak 39 spectrum 1 weight .10000E+01 volume .12729E-02 ppm1 2.920 ppm2 9.282 CV 1
ASSI { 40}
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 9 and name HE1 ))
2.500 .800 .800 peak 40 spectrum 1 weight .10000E+01 volume .40429E-02 ppm1 6.953 ppm2 10.477 CV 1
ASSI { 41}
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 9 and name HN ))
2.700 .900 .900 peak 41 spectrum 1 weight .10000E+01 volume .24601E-02 ppm1 6.957 ppm2 7.467 CV 1
ASSI { 42}
(( segid " " and resid 9 and name HE3 ))
(( segid " " and resid 10 and name HN ))
3.300 1.400 1.400 peak 42 spectrum 1 weight .10000E+01 volume .66141E-03 ppm1 7.232 ppm2 9.284 CV 1
ASSI { 43}
(( segid " " and resid 9 and name HE3 ))
(( segid " " and resid 22 and name HN ))
3.000 1.200 1.200 peak 43 spectrum 1 weight .10000E+01 volume .11102E-02 ppm1 7.230 ppm2 8.999 CV 1
ASSI { 44}
(( segid " " and resid 9 and name HH2 ))
(( segid " " and resid 9 and name HE3 ))
3.100 1.200 1.200 peak 44 spectrum 1 weight .10000E+01 volume .10838E-02 ppm1 6.990 ppm2 7.239 CV 1
ASSI { 45}
(( segid " " and resid 9 and name HH2 ))
(( segid " " and resid 9 and name HZ2 ))
2.100 .500 .500 peak 45 spectrum 1 weight .10000E+01 volume .11412E-01 ppm1 6.991 ppm2 7.436 CV 1
ASSI { 46}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HN ))
3.000 1.100 1.100 peak 46 spectrum 1 weight .10000E+01 volume .12006E-02 ppm1 7.469 ppm2 8.772 CV 1
ASSI { 47}
(( segid " " and resid 9 and name HZ2 ))
(( segid " " and resid 9 and name HE1 ))
2.700 .900 .900 peak 47 spectrum 1 weight .10000E+01 volume .21607E-02 ppm1 7.425 ppm2 10.477 CV 1
ASSI { 48}
(( segid " " and resid 9 and name HZ3 ))
(( segid " " and resid 9 and name HH2 ))
2.200 .600 .600 peak 48 spectrum 1 weight .10000E+01 volume .70537E-02 ppm1 6.685 ppm2 6.983 CV 1
ASSI { 49}
(( segid " " and resid 9 and name HZ3 ))
(( segid " " and resid 9 and name HZ2 ))
3.000 1.100 1.100 peak 49 spectrum 1 weight .10000E+01 volume .12913E-02 ppm1 6.683 ppm2 7.436 CV 1
ASSI { 50}
(( segid " " and resid 9 and name HZ3 ))
(( segid " " and resid 23 and name HN ))
3.500 1.500 1.500 peak 50 spectrum 1 weight .10000E+01 volume .51944E-03 ppm1 6.691 ppm2 8.294 CV 1
ASSI { 51}
(( segid " " and resid 9 and name HZ3 ))
(( segid " " and resid 30 and name HN ))
3.000 1.100 1.100 peak 51 spectrum 1 weight .10000E+01 volume .13254E-02 ppm1 6.689 ppm2 9.079 CV 1
ASSI { 52}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
2.800 1.000 1.000 peak 52 spectrum 1 weight .10000E+01 volume .18667E-02 ppm1 4.650 ppm2 9.283 CV 1
ASSI { 53}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
2.300 .600 .600 peak 53 spectrum 1 weight .10000E+01 volume .67007E-02 ppm1 4.648 ppm2 8.731 CV 1
ASSI { 54}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HN ))
2.500 .800 .800 peak 54 spectrum 1 weight .10000E+01 volume .38273E-02 ppm1 1.914 ppm2 9.283 CV 1
OR { 54}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HN ))
ASSI { 55}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 22 and name HN ))
3.300 1.300 1.300 peak 55 spectrum 1 weight .10000E+01 volume .71083E-03 ppm1 1.913 ppm2 8.998 CV 1
OR { 55}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 22 and name HN ))
ASSI { 56}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 11 and name HN ))
3.000 1.100 1.100 peak 56 spectrum 1 weight .10000E+01 volume .12583E-02 ppm1 2.279 ppm2 8.732 CV 1
ASSI { 57}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 11 and name HN ))
3.000 1.100 1.100 peak 57 spectrum 1 weight .10000E+01 volume .12143E-02 ppm1 2.170 ppm2 8.733 CV 1
ASSI { 58}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
2.700 .900 .900 peak 58 spectrum 1 weight .10000E+01 volume .23568E-02 ppm1 4.361 ppm2 8.731 CV 1
ASSI { 59}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
2.300 .700 .700 peak 59 spectrum 1 weight .10000E+01 volume .61617E-02 ppm1 4.364 ppm2 8.542 CV 1
ASSI { 60}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 22 and name HN ))
3.400 1.500 1.500 peak 60 spectrum 1 weight .10000E+01 volume .53420E-03 ppm1 4.365 ppm2 8.999 CV 1
ASSI { 61}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HN ))
2.100 .600 .600 peak 61 spectrum 1 weight .10000E+01 volume .95228E-02 ppm1 1.937 ppm2 8.732 CV 1
OR { 61}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HN ))
ASSI { 62}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 12 and name HN ))
2.700 .900 .900 peak 62 spectrum 1 weight .10000E+01 volume .21755E-02 ppm1 1.935 ppm2 8.542 CV 1
OR { 62}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HN ))
ASSI { 63}
(( segid " " and resid 11 and name HG2 ))
(( segid " " and resid 11 and name HN ))
3.200 1.300 1.300 peak 63 spectrum 1 weight .10000E+01 volume .79286E-03 ppm1 1.850 ppm2 8.732 CV 1
ASSI { 64}
(( segid " " and resid 11 and name HG2 ))
(( segid " " and resid 12 and name HN ))
2.900 1.100 1.100 peak 64 spectrum 1 weight .10000E+01 volume .13666E-02 ppm1 1.849 ppm2 8.541 CV 1
ASSI { 65}
(( segid " " and resid 11 and name HG3 ))
(( segid " " and resid 11 and name HN ))
3.300 1.300 1.300 peak 65 spectrum 1 weight .10000E+01 volume .72405E-03 ppm1 1.756 ppm2 8.732 CV 1
ASSI { 66}
(( segid " " and resid 11 and name HG3 ))
(( segid " " and resid 12 and name HN ))
2.900 1.000 1.000 peak 66 spectrum 1 weight .10000E+01 volume .16151E-02 ppm1 1.758 ppm2 8.543 CV 1
ASSI { 67}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.600 .800 .800 peak 67 spectrum 1 weight .10000E+01 volume .30564E-02 ppm1 4.439 ppm2 8.543 CV 1
ASSI { 68}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HN ))
2.100 .600 .600 peak 68 spectrum 1 weight .10000E+01 volume .98756E-02 ppm1 4.438 ppm2 7.728 CV 1
ASSI { 69}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HN ))
2.900 1.000 1.000 peak 69 spectrum 1 weight .10000E+01 volume .15578E-02 ppm1 1.231 ppm2 8.543 CV 1
ASSI { 70}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 13 and name HN ))
2.300 .700 .700 peak 70 spectrum 1 weight .10000E+01 volume .57280E-02 ppm1 1.235 ppm2 7.729 CV 1
ASSI { 71}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HN ))
2.600 .800 .800 peak 71 spectrum 1 weight .10000E+01 volume .30431E-02 ppm1 -.017 ppm2 8.543 CV 1
ASSI { 72}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 13 and name HN ))
2.900 1.100 1.100 peak 72 spectrum 1 weight .10000E+01 volume .13823E-02 ppm1 -.024 ppm2 7.728 CV 1
ASSI { 73}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 20 and name HN ))
3.400 1.400 1.400 peak 73 spectrum 1 weight .10000E+01 volume .59882E-03 ppm1 -.015 ppm2 8.855 CV 1
ASSI { 74}
(( segid " " and resid 12 and name HG3 ))
(( segid " " and resid 12 and name HN ))
3.100 1.200 1.200 peak 74 spectrum 1 weight .10000E+01 volume .96376E-03 ppm1 .910 ppm2 8.544 CV 1
ASSI { 75}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 20 and name HN ))
2.700 .900 .900 peak 75 spectrum 1 weight .10000E+01 volume .24244E-02 ppm1 8.545 ppm2 8.856 CV 1
ASSI { 76}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
3.200 1.300 1.300 peak 76 spectrum 1 weight .10000E+01 volume .78671E-03 ppm1 4.972 ppm2 7.728 CV 1
ASSI { 77}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
2.300 .600 .600 peak 77 spectrum 1 weight .10000E+01 volume .63543E-02 ppm1 4.963 ppm2 9.121 CV 1
ASSI { 78}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 13 and name HN ))
2.700 .900 .900 peak 78 spectrum 1 weight .10000E+01 volume .20515E-02 ppm1 1.783 ppm2 7.728 CV 1
ASSI { 79}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 14 and name HN ))
3.300 1.300 1.300 peak 79 spectrum 1 weight .10000E+01 volume .73524E-03 ppm1 1.782 ppm2 9.122 CV 1
ASSI { 80}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 18 and name HN ))
3.000 1.100 1.100 peak 80 spectrum 1 weight .10000E+01 volume .12574E-02 ppm1 1.782 ppm2 8.834 CV 1
ASSI { 81}
( segid " " and resid 13 and name HG1%)
(( segid " " and resid 13 and name HN ))
2.900 1.100 1.100 peak 81 spectrum 1 weight .10000E+01 volume .13597E-02 ppm1 .906 ppm2 7.729 CV 1
ASSI { 82}
( segid " " and resid 13 and name HG1%)
(( segid " " and resid 14 and name HN ))
2.800 .900 .900 peak 82 spectrum 1 weight .10000E+01 volume .20174E-02 ppm1 .899 ppm2 9.122 CV 1
ASSI { 83}
( segid " " and resid 13 and name HG1%)
(( segid " " and resid 17 and name HN ))
2.700 .900 .900 peak 83 spectrum 1 weight .10000E+01 volume .22298E-02 ppm1 .906 ppm2 8.101 CV 1
ASSI { 84}
( segid " " and resid 13 and name HG1%)
(( segid " " and resid 18 and name HN ))
3.000 1.100 1.100 peak 84 spectrum 1 weight .10000E+01 volume .12206E-02 ppm1 .902 ppm2 8.832 CV 1
ASSI { 85}
( segid " " and resid 13 and name HG1%)
(( segid " " and resid 19 and name HN ))
3.300 1.400 1.400 peak 85 spectrum 1 weight .10000E+01 volume .63581E-03 ppm1 .906 ppm2 8.613 CV 1
ASSI { 86}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 13 and name HN ))
2.900 1.100 1.100 peak 86 spectrum 1 weight .10000E+01 volume .13501E-02 ppm1 .825 ppm2 7.728 CV 1
ASSI { 87}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 14 and name HN ))
3.100 1.200 1.200 peak 87 spectrum 1 weight .10000E+01 volume .10013E-02 ppm1 .819 ppm2 9.122 CV 1
ASSI { 88}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 17 and name HN ))
2.900 1.100 1.100 peak 88 spectrum 1 weight .10000E+01 volume .13679E-02 ppm1 .818 ppm2 8.101 CV 1
ASSI { 89}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 18 and name HN ))
3.000 1.100 1.100 peak 89 spectrum 1 weight .10000E+01 volume .11441E-02 ppm1 .820 ppm2 8.835 CV 1
ASSI { 90}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 19 and name HN ))
3.400 1.500 1.500 peak 90 spectrum 1 weight .10000E+01 volume .55720E-03 ppm1 .819 ppm2 8.615 CV 1
ASSI { 91}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
2.900 1.000 1.000 peak 91 spectrum 1 weight .10000E+01 volume .15478E-02 ppm1 3.424 ppm2 9.121 CV 1
ASSI { 92}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HN ))
2.900 1.100 1.100 peak 92 spectrum 1 weight .10000E+01 volume .14165E-02 ppm1 2.797 ppm2 9.121 CV 1
ASSI { 93}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HD21))
3.000 1.100 1.100 peak 93 spectrum 1 weight .10000E+01 volume .11813E-02 ppm1 2.928 ppm2 7.596 CV 1
ASSI { 94}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HD22))
3.100 1.200 1.200 peak 94 spectrum 1 weight .10000E+01 volume .10814E-02 ppm1 2.928 ppm2 6.892 CV 1
ASSI { 95}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
3.400 1.400 1.400 peak 95 spectrum 1 weight .10000E+01 volume .58626E-03 ppm1 2.929 ppm2 8.229 CV 1
ASSI { 96}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HD21))
3.400 1.400 1.400 peak 96 spectrum 1 weight .10000E+01 volume .57007E-03 ppm1 2.854 ppm2 7.597 CV 1
ASSI { 97}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 16 and name HN ))
3.500 1.500 1.500 peak 97 spectrum 1 weight .10000E+01 volume .50030E-03 ppm1 2.850 ppm2 8.228 CV 1
ASSI { 98}
(( segid " " and resid 15 and name HD22))
(( segid " " and resid 15 and name HD21))
1.900 .400 .400 peak 98 spectrum 1 weight .10000E+01 volume .21088E-01 ppm1 6.888 ppm2 7.598 CV 1
ASSI { 99}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
3.100 1.200 1.200 peak 99 spectrum 1 weight .10000E+01 volume .95630E-03 ppm1 4.521 ppm2 8.230 CV 1
ASSI { 100}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
2.800 1.000 1.000 peak 100 spectrum 1 weight .10000E+01 volume .17029E-02 ppm1 4.518 ppm2 8.100 CV 1
ASSI { 101}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
2.700 .900 .900 peak 101 spectrum 1 weight .10000E+01 volume .22869E-02 ppm1 1.780 ppm2 8.230 CV 1
ASSI { 102}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
2.900 1.100 1.100 peak 102 spectrum 1 weight .10000E+01 volume .14131E-02 ppm1 1.781 ppm2 8.100 CV 1
ASSI { 103}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HN ))
3.100 1.200 1.200 peak 103 spectrum 1 weight .10000E+01 volume .91805E-03 ppm1 1.725 ppm2 8.231 CV 1
ASSI { 104}
( segid " " and resid 16 and name HD2%)
(( segid " " and resid 15 and name HD21))
3.200 1.300 1.300 peak 104 spectrum 1 weight .10000E+01 volume .76456E-03 ppm1 .818 ppm2 7.598 CV 1
OR { 104}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 15 and name HD21))
ASSI { 105}
( segid " " and resid 16 and name HD2%)
(( segid " " and resid 15 and name HD22))
3.400 1.400 1.400 peak 105 spectrum 1 weight .10000E+01 volume .61902E-03 ppm1 .819 ppm2 6.890 CV 1
OR { 105}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 15 and name HD22))
ASSI { 106}
( segid " " and resid 16 and name HD1%)
(( segid " " and resid 16 and name HN ))
3.100 1.200 1.200 peak 106 spectrum 1 weight .10000E+01 volume .91332E-03 ppm1 .818 ppm2 8.228 CV 1
OR { 106}
( segid " " and resid 16 and name HD2%)
(( segid " " and resid 16 and name HN ))
ASSI { 107}
(( segid " " and resid 16 and name HG ))
(( segid " " and resid 16 and name HN ))
3.100 1.200 1.200 peak 107 spectrum 1 weight .10000E+01 volume .92743E-03 ppm1 1.563 ppm2 8.230 CV 1
ASSI { 108}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 18 and name HN ))
3.000 1.100 1.100 peak 108 spectrum 1 weight .10000E+01 volume .11711E-02 ppm1 8.230 ppm2 8.834 CV 1
ASSI { 109}
(( segid " " and resid 17 and name HA1 ))
(( segid " " and resid 17 and name HN ))
2.500 .800 .800 peak 109 spectrum 1 weight .10000E+01 volume .40340E-02 ppm1 4.204 ppm2 8.099 CV 1
ASSI { 110}
(( segid " " and resid 17 and name HA1 ))
(( segid " " and resid 18 and name HN ))
3.200 1.200 1.200 peak 110 spectrum 1 weight .10000E+01 volume .89500E-03 ppm1 4.204 ppm2 8.833 CV 1
ASSI { 111}
(( segid " " and resid 17 and name HA2 ))
(( segid " " and resid 17 and name HN ))
2.200 .600 .600 peak 111 spectrum 1 weight .10000E+01 volume .76819E-02 ppm1 3.555 ppm2 8.099 CV 1
ASSI { 112}
(( segid " " and resid 17 and name HA2 ))
(( segid " " and resid 18 and name HN ))
2.900 1.100 1.100 peak 112 spectrum 1 weight .10000E+01 volume .14625E-02 ppm1 3.558 ppm2 8.833 CV 1
ASSI { 113}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 14 and name HN ))
3.300 1.300 1.300 peak 113 spectrum 1 weight .10000E+01 volume .73755E-03 ppm1 8.102 ppm2 9.115 CV 1
ASSI { 114}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
2.300 .600 .600 peak 114 spectrum 1 weight .10000E+01 volume .64955E-02 ppm1 8.100 ppm2 8.230 CV 1
ASSI { 115}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
2.400 .700 .700 peak 115 spectrum 1 weight .10000E+01 volume .50414E-02 ppm1 8.100 ppm2 8.833 CV 1
ASSI { 116}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
2.900 1.100 1.100 peak 116 spectrum 1 weight .10000E+01 volume .13447E-02 ppm1 4.542 ppm2 8.835 CV 1
ASSI { 117}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
2.200 .600 .600 peak 117 spectrum 1 weight .10000E+01 volume .71829E-02 ppm1 4.545 ppm2 8.613 CV 1
ASSI { 118}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HE ))
3.100 1.200 1.200 peak 118 spectrum 1 weight .10000E+01 volume .98006E-03 ppm1 1.929 ppm2 8.397 CV 1
ASSI { 119}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HN ))
2.800 1.000 1.000 peak 119 spectrum 1 weight .10000E+01 volume .20113E-02 ppm1 1.928 ppm2 8.834 CV 1
ASSI { 120}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 19 and name HN ))
2.700 .900 .900 peak 120 spectrum 1 weight .10000E+01 volume .23173E-02 ppm1 1.927 ppm2 8.614 CV 1
ASSI { 121}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HE ))
3.000 1.100 1.100 peak 121 spectrum 1 weight .10000E+01 volume .12526E-02 ppm1 1.627 ppm2 8.397 CV 1
ASSI { 122}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HN ))
2.400 .700 .700 peak 122 spectrum 1 weight .10000E+01 volume .49309E-02 ppm1 1.627 ppm2 8.833 CV 1
ASSI { 123}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 19 and name HN ))
2.900 1.000 1.000 peak 123 spectrum 1 weight .10000E+01 volume .15830E-02 ppm1 1.626 ppm2 8.613 CV 1
ASSI { 124}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 18 and name HE ))
3.300 1.300 1.300 peak 124 spectrum 1 weight .10000E+01 volume .73938E-03 ppm1 3.121 ppm2 8.397 CV 1
ASSI { 125}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 18 and name HN ))
3.300 1.300 1.300 peak 125 spectrum 1 weight .10000E+01 volume .74452E-03 ppm1 3.114 ppm2 8.831 CV 1
ASSI { 126}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 18 and name HE ))
3.300 1.400 1.400 peak 126 spectrum 1 weight .10000E+01 volume .67493E-03 ppm1 2.843 ppm2 8.396 CV 1
ASSI { 127}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 18 and name HN ))
3.400 1.400 1.400 peak 127 spectrum 1 weight .10000E+01 volume .60187E-03 ppm1 2.842 ppm2 8.829 CV 1
ASSI { 128}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HE ))
2.800 1.000 1.000 peak 128 spectrum 1 weight .10000E+01 volume .17381E-02 ppm1 2.278 ppm2 8.394 CV 1
OR { 128}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HE ))
ASSI { 129}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HN ))
2.600 .800 .800 peak 129 spectrum 1 weight .10000E+01 volume .31694E-02 ppm1 2.280 ppm2 8.834 CV 1
OR { 129}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HN ))
ASSI { 130}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 19 and name HN ))
3.100 1.200 1.200 peak 130 spectrum 1 weight .10000E+01 volume .10543E-02 ppm1 2.278 ppm2 8.613 CV 1
OR { 130}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 19 and name HN ))
ASSI { 131}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 14 and name HN ))
3.000 1.100 1.100 peak 131 spectrum 1 weight .10000E+01 volume .13253E-02 ppm1 8.832 ppm2 9.121 CV 1
ASSI { 132}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
2.600 .800 .800 peak 132 spectrum 1 weight .10000E+01 volume .29950E-02 ppm1 4.935 ppm2 8.614 CV 1
ASSI { 133}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
2.000 .500 .500 peak 133 spectrum 1 weight .10000E+01 volume .13623E-01 ppm1 4.934 ppm2 8.855 CV 1
ASSI { 134}
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 19 and name HN ))
2.300 .700 .700 peak 134 spectrum 1 weight .10000E+01 volume .53424E-02 ppm1 3.956 ppm2 8.612 CV 1
ASSI { 135}
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 20 and name HN ))
3.400 1.400 1.400 peak 135 spectrum 1 weight .10000E+01 volume .58395E-03 ppm1 3.957 ppm2 8.856 CV 1
ASSI { 136}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 12 and name HN ))
2.700 .900 .900 peak 136 spectrum 1 weight .10000E+01 volume .24751E-02 ppm1 .992 ppm2 8.543 CV 1
ASSI { 137}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 13 and name HN ))
3.100 1.200 1.200 peak 137 spectrum 1 weight .10000E+01 volume .10924E-02 ppm1 .991 ppm2 7.729 CV 1
ASSI { 138}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 19 and name HN ))
2.700 .900 .900 peak 138 spectrum 1 weight .10000E+01 volume .22065E-02 ppm1 .993 ppm2 8.613 CV 1
ASSI { 139}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 20 and name HN ))
2.500 .800 .800 peak 139 spectrum 1 weight .10000E+01 volume .33123E-02 ppm1 .990 ppm2 8.855 CV 1
ASSI { 140}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
2.800 1.000 1.000 peak 140 spectrum 1 weight .10000E+01 volume .18326E-02 ppm1 4.594 ppm2 8.855 CV 1
ASSI { 141}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
2.600 .900 .900 peak 141 spectrum 1 weight .10000E+01 volume .26993E-02 ppm1 4.597 ppm2 8.587 CV 1
ASSI { 142}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
3.100 1.200 1.200 peak 142 spectrum 1 weight .10000E+01 volume .10437E-02 ppm1 2.486 ppm2 8.856 CV 1
ASSI { 143}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 21 and name HN ))
2.800 1.000 1.000 peak 143 spectrum 1 weight .10000E+01 volume .19655E-02 ppm1 2.488 ppm2 8.588 CV 1
ASSI { 144}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
3.200 1.300 1.300 peak 144 spectrum 1 weight .10000E+01 volume .81400E-03 ppm1 2.170 ppm2 8.854 CV 1
ASSI { 145}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 21 and name HN ))
2.400 .700 .700 peak 145 spectrum 1 weight .10000E+01 volume .44130E-02 ppm1 2.173 ppm2 8.586 CV 1
ASSI { 146}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 12 and name HN ))
3.000 1.100 1.100 peak 146 spectrum 1 weight .10000E+01 volume .13388E-02 ppm1 6.707 ppm2 8.539 CV 1
ASSI { 147}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 13 and name HN ))
3.000 1.100 1.100 peak 147 spectrum 1 weight .10000E+01 volume .12440E-02 ppm1 6.705 ppm2 7.728 CV 1
ASSI { 148}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 14 and name HN ))
2.700 .900 .900 peak 148 spectrum 1 weight .10000E+01 volume .22909E-02 ppm1 6.704 ppm2 9.119 CV 1
ASSI { 149}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 20 and name HN ))
2.400 .700 .700 peak 149 spectrum 1 weight .10000E+01 volume .46031E-02 ppm1 6.705 ppm2 8.855 CV 1
ASSI { 150}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 30 and name HN ))
2.800 1.000 1.000 peak 150 spectrum 1 weight .10000E+01 volume .19500E-02 ppm1 6.705 ppm2 9.078 CV 1
ASSI { 151}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 31 and name HE3 ))
3.200 1.300 1.300 peak 151 spectrum 1 weight .10000E+01 volume .79168E-03 ppm1 6.703 ppm2 8.021 CV 1
ASSI { 152}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 13 and name HN ))
3.600 1.600 1.600 peak 152 spectrum 1 weight .10000E+01 volume .38741E-03 ppm1 6.265 ppm2 7.728 CV 1
ASSI { 153}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 14 and name HN ))
3.100 1.200 1.200 peak 153 spectrum 1 weight .10000E+01 volume .93432E-03 ppm1 6.263 ppm2 9.119 CV 1
ASSI { 154}
( segid " " and resid 20 and name HE% )
( segid " " and resid 20 and name HD% )
2.000 .500 .500 peak 154 spectrum 1 weight .10000E+01 volume .12252E-01 ppm1 6.263 ppm2 6.699 CV 1
ASSI { 155}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 20 and name HN ))
3.500 1.500 1.500 peak 155 spectrum 1 weight .10000E+01 volume .50598E-03 ppm1 6.266 ppm2 8.853 CV 1
ASSI { 156}
( segid " " and resid 20 and name HE% )
(( segid " " and resid 21 and name HN ))
3.400 1.500 1.500 peak 156 spectrum 1 weight .10000E+01 volume .56267E-03 ppm1 6.270 ppm2 8.580 CV 1
ASSI { 157}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 12 and name HN ))
3.500 1.500 1.500 peak 157 spectrum 1 weight .10000E+01 volume .52092E-03 ppm1 5.246 ppm2 8.542 CV 1
ASSI { 158}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
3.200 1.300 1.300 peak 158 spectrum 1 weight .10000E+01 volume .83065E-03 ppm1 5.247 ppm2 8.587 CV 1
ASSI { 159}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
2.400 .700 .700 peak 159 spectrum 1 weight .10000E+01 volume .43001E-02 ppm1 5.247 ppm2 8.998 CV 1
ASSI { 160}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HN ))
3.000 1.100 1.100 peak 160 spectrum 1 weight .10000E+01 volume .11354E-02 ppm1 2.928 ppm2 8.588 CV 1
ASSI { 161}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.900 1.100 1.100 peak 161 spectrum 1 weight .10000E+01 volume .14893E-02 ppm1 2.916 ppm2 8.999 CV 1
ASSI { 162}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 30 and name HN ))
3.600 1.600 1.600 peak 162 spectrum 1 weight .10000E+01 volume .43306E-03 ppm1 2.922 ppm2 9.078 CV 1
ASSI { 163}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HN ))
2.700 .900 .900 peak 163 spectrum 1 weight .10000E+01 volume .22486E-02 ppm1 2.599 ppm2 8.588 CV 1
ASSI { 164}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 22 and name HN ))
3.500 1.600 1.600 peak 164 spectrum 1 weight .10000E+01 volume .44464E-03 ppm1 2.600 ppm2 8.999 CV 1
ASSI { 165}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 30 and name HN ))
3.200 1.300 1.300 peak 165 spectrum 1 weight .10000E+01 volume .85500E-03 ppm1 2.600 ppm2 9.078 CV 1
ASSI { 166}
( segid " " and resid 21 and name HD% )
( segid " " and resid 21 and name HE% )
1.700 .400 .500 peak 166 spectrum 1 weight .10000E+01 volume .31186E-01 ppm1 6.695 ppm2 7.346 CV 1
ASSI { 167}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 22 and name HN ))
3.300 1.400 1.400 peak 167 spectrum 1 weight .10000E+01 volume .68734E-03 ppm1 6.706 ppm2 8.997 CV 1
ASSI { 168}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 33 and name HN ))
3.000 1.100 1.100 peak 168 spectrum 1 weight .10000E+01 volume .11876E-02 ppm1 6.707 ppm2 8.507 CV 1
ASSI { 169}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 30 and name HN ))
2.800 1.000 1.000 peak 169 spectrum 1 weight .10000E+01 volume .17290E-02 ppm1 8.591 ppm2 9.078 CV 1
ASSI { 170}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
3.200 1.200 1.200 peak 170 spectrum 1 weight .10000E+01 volume .89876E-03 ppm1 4.826 ppm2 8.993 CV 1
ASSI { 171}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
2.600 .800 .800 peak 171 spectrum 1 weight .10000E+01 volume .31802E-02 ppm1 4.829 ppm2 8.294 CV 1
ASSI { 172}
(( segid " " and resid 22 and name HB ))
(( segid " " and resid 10 and name HN ))
3.300 1.400 1.400 peak 172 spectrum 1 weight .10000E+01 volume .64608E-03 ppm1 1.709 ppm2 9.279 CV 1
ASSI { 173}
(( segid " " and resid 22 and name HB ))
(( segid " " and resid 22 and name HN ))
2.900 1.000 1.000 peak 173 spectrum 1 weight .10000E+01 volume .15161E-02 ppm1 1.707 ppm2 8.997 CV 1
ASSI { 174}
(( segid " " and resid 22 and name HB ))
(( segid " " and resid 23 and name HN ))
3.100 1.200 1.200 peak 174 spectrum 1 weight .10000E+01 volume .95492E-03 ppm1 1.706 ppm2 8.292 CV 1
ASSI { 175}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 10 and name HN ))
3.400 1.400 1.400 peak 175 spectrum 1 weight .10000E+01 volume .58499E-03 ppm1 .688 ppm2 9.281 CV 1
ASSI { 176}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 22 and name HN ))
3.000 1.100 1.100 peak 176 spectrum 1 weight .10000E+01 volume .12947E-02 ppm1 .687 ppm2 8.997 CV 1
ASSI { 177}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 23 and name HN ))
2.600 .900 .900 peak 177 spectrum 1 weight .10000E+01 volume .26868E-02 ppm1 .688 ppm2 8.294 CV 1
ASSI { 178}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 24 and name HD2 ))
3.400 1.500 1.500 peak 178 spectrum 1 weight .10000E+01 volume .55181E-03 ppm1 .688 ppm2 6.944 CV 1
ASSI { 179}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 10 and name HN ))
3.200 1.300 1.300 peak 179 spectrum 1 weight .10000E+01 volume .81494E-03 ppm1 .538 ppm2 9.280 CV 1
ASSI { 180}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 22 and name HN ))
2.900 1.100 1.100 peak 180 spectrum 1 weight .10000E+01 volume .13871E-02 ppm1 .538 ppm2 8.997 CV 1
ASSI { 181}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 23 and name HN ))
2.700 .900 .900 peak 181 spectrum 1 weight .10000E+01 volume .20724E-02 ppm1 .538 ppm2 8.292 CV 1
ASSI { 182}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 24 and name HD2 ))
3.000 1.100 1.100 peak 182 spectrum 1 weight .10000E+01 volume .12911E-02 ppm1 .545 ppm2 6.945 CV 1
ASSI { 183}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 10 and name HN ))
2.800 1.000 1.000 peak 183 spectrum 1 weight .10000E+01 volume .17515E-02 ppm1 8.999 ppm2 9.283 CV 1
ASSI { 184}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 10 and name HN ))
3.300 1.300 1.300 peak 184 spectrum 1 weight .10000E+01 volume .71946E-03 ppm1 3.975 ppm2 9.283 CV 1
ASSI { 185}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
2.900 1.000 1.000 peak 185 spectrum 1 weight .10000E+01 volume .16191E-02 ppm1 3.973 ppm2 8.296 CV 1
ASSI { 186}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
2.400 .700 .700 peak 186 spectrum 1 weight .10000E+01 volume .48822E-02 ppm1 3.977 ppm2 8.665 CV 1
ASSI { 187}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HD21))
2.900 1.100 1.100 peak 187 spectrum 1 weight .10000E+01 volume .13590E-02 ppm1 2.340 ppm2 6.797 CV 1
ASSI { 188}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HD22))
3.500 1.500 1.500 peak 188 spectrum 1 weight .10000E+01 volume .47882E-03 ppm1 2.355 ppm2 5.409 CV 1
ASSI { 189}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
2.600 .800 .800 peak 189 spectrum 1 weight .10000E+01 volume .30875E-02 ppm1 2.333 ppm2 8.294 CV 1
ASSI { 190}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 28 and name HN ))
2.700 .900 .900 peak 190 spectrum 1 weight .10000E+01 volume .21204E-02 ppm1 2.341 ppm2 7.914 CV 1
ASSI { 191}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HD21))
2.700 .900 .900 peak 191 spectrum 1 weight .10000E+01 volume .20938E-02 ppm1 -.196 ppm2 6.797 CV 1
ASSI { 192}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HD22))
3.500 1.600 1.600 peak 192 spectrum 1 weight .10000E+01 volume .45107E-03 ppm1 -.197 ppm2 5.419 CV 1
ASSI { 193}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
2.800 1.000 1.000 peak 193 spectrum 1 weight .10000E+01 volume .19963E-02 ppm1 -.199 ppm2 8.293 CV 1
ASSI { 194}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 28 and name HN ))
3.100 1.200 1.200 peak 194 spectrum 1 weight .10000E+01 volume .10165E-02 ppm1 -.197 ppm2 7.910 CV 1
ASSI { 195}
(( segid " " and resid 23 and name HD21))
(( segid " " and resid 9 and name HE1 ))
3.200 1.300 1.300 peak 195 spectrum 1 weight .10000E+01 volume .84562E-03 ppm1 6.785 ppm2 10.478 CV 1
ASSI { 196}
(( segid " " and resid 23 and name HD21))
(( segid " " and resid 9 and name HZ2 ))
3.100 1.200 1.200 peak 196 spectrum 1 weight .10000E+01 volume .10575E-02 ppm1 6.787 ppm2 7.432 CV 1
ASSI { 197}
(( segid " " and resid 23 and name HD22))
(( segid " " and resid 9 and name HE1 ))
3.000 1.100 1.100 peak 197 spectrum 1 weight .10000E+01 volume .11381E-02 ppm1 5.417 ppm2 10.476 CV 1
ASSI { 198}
(( segid " " and resid 23 and name HD22))
(( segid " " and resid 9 and name HZ2 ))
3.000 1.100 1.100 peak 198 spectrum 1 weight .10000E+01 volume .11405E-02 ppm1 5.414 ppm2 7.431 CV 1
ASSI { 199}
(( segid " " and resid 23 and name HD22))
(( segid " " and resid 23 and name HD21))
1.800 .400 .400 peak 199 spectrum 1 weight .10000E+01 volume .25482E-01 ppm1 5.417 ppm2 6.797 CV 1
ASSI { 200}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
3.000 1.100 1.100 peak 200 spectrum 1 weight .10000E+01 volume .12016E-02 ppm1 4.283 ppm2 8.667 CV 1
ASSI { 201}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HN ))
3.100 1.200 1.200 peak 201 spectrum 1 weight .10000E+01 volume .10475E-02 ppm1 4.280 ppm2 7.877 CV 1
ASSI { 202}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HD2 ))
2.400 .700 .700 peak 202 spectrum 1 weight .10000E+01 volume .44906E-02 ppm1 3.085 ppm2 6.944 CV 1
OR { 202}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HD2 ))
ASSI { 203}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HN ))
2.500 .800 .800 peak 203 spectrum 1 weight .10000E+01 volume .33083E-02 ppm1 3.084 ppm2 8.666 CV 1
OR { 203}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HN ))
ASSI { 204}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 25 and name HN ))
3.000 1.100 1.100 peak 204 spectrum 1 weight .10000E+01 volume .11570E-02 ppm1 3.085 ppm2 8.326 CV 1
OR { 204}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 25 and name HN ))
ASSI { 205}
(( segid " " and resid 24 and name HD2 ))
(( segid " " and resid 24 and name HN ))
3.300 1.300 1.300 peak 205 spectrum 1 weight .10000E+01 volume .73981E-03 ppm1 6.943 ppm2 8.664 CV 1
ASSI { 206}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
2.700 .900 .900 peak 206 spectrum 1 weight .10000E+01 volume .22197E-02 ppm1 4.440 ppm2 8.327 CV 1
ASSI { 207}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
3.200 1.300 1.300 peak 207 spectrum 1 weight .10000E+01 volume .77544E-03 ppm1 4.441 ppm2 7.089 CV 1
ASSI { 208}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HD21))
2.600 .900 .900 peak 208 spectrum 1 weight .10000E+01 volume .26959E-02 ppm1 2.775 ppm2 7.537 CV 1
ASSI { 209}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HD22))
2.700 .900 .900 peak 209 spectrum 1 weight .10000E+01 volume .21165E-02 ppm1 2.772 ppm2 7.117 CV 1
ASSI { 210}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HN ))
2.500 .800 .800 peak 210 spectrum 1 weight .10000E+01 volume .37007E-02 ppm1 2.776 ppm2 8.327 CV 1
ASSI { 211}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HD21))
2.800 1.000 1.000 peak 211 spectrum 1 weight .10000E+01 volume .18396E-02 ppm1 2.642 ppm2 7.536 CV 1
ASSI { 212}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HD22))
3.100 1.200 1.200 peak 212 spectrum 1 weight .10000E+01 volume .97784E-03 ppm1 2.642 ppm2 7.118 CV 1
ASSI { 213}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HN ))
2.700 .900 .900 peak 213 spectrum 1 weight .10000E+01 volume .21965E-02 ppm1 2.642 ppm2 8.328 CV 1
ASSI { 214}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 26 and name HN ))
3.100 1.200 1.200 peak 214 spectrum 1 weight .10000E+01 volume .94068E-03 ppm1 2.643 ppm2 7.090 CV 1
ASSI { 215}
(( segid " " and resid 25 and name HD21))
(( segid " " and resid 25 and name HN ))
3.200 1.300 1.300 peak 215 spectrum 1 weight .10000E+01 volume .78441E-03 ppm1 7.539 ppm2 8.325 CV 1
ASSI { 216}
(( segid " " and resid 25 and name HD22))
(( segid " " and resid 25 and name HD21))
1.700 .300 .500 peak 216 spectrum 1 weight .10000E+01 volume .41391E-01 ppm1 7.120 ppm2 7.534 CV 1
ASSI { 217}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HN ))
2.900 1.100 1.100 peak 217 spectrum 1 weight .10000E+01 volume .13522E-02 ppm1 8.323 ppm2 8.665 CV 1
ASSI { 218}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HN ))
2.900 1.100 1.100 peak 218 spectrum 1 weight .10000E+01 volume .14727E-02 ppm1 2.799 ppm2 7.090 CV 1
ASSI { 219}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HN ))
3.200 1.300 1.300 peak 219 spectrum 1 weight .10000E+01 volume .83413E-03 ppm1 2.592 ppm2 7.088 CV 1
ASSI { 220}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HN ))
2.600 .900 .900 peak 220 spectrum 1 weight .10000E+01 volume .27356E-02 ppm1 7.095 ppm2 8.327 CV 1
ASSI { 221}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
2.600 .800 .800 peak 221 spectrum 1 weight .10000E+01 volume .30515E-02 ppm1 7.097 ppm2 7.875 CV 1
ASSI { 222}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 26 and name HN ))
3.200 1.300 1.300 peak 222 spectrum 1 weight .10000E+01 volume .82641E-03 ppm1 3.802 ppm2 7.092 CV 1
ASSI { 223}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
2.100 .600 .600 peak 223 spectrum 1 weight .10000E+01 volume .97471E-02 ppm1 3.800 ppm2 7.874 CV 1
ASSI { 224}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
2.300 .700 .700 peak 224 spectrum 1 weight .10000E+01 volume .53245E-02 ppm1 3.798 ppm2 7.913 CV 1
ASSI { 225}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
3.400 1.400 1.400 peak 225 spectrum 1 weight .10000E+01 volume .57260E-03 ppm1 1.964 ppm2 7.876 CV 1
ASSI { 226}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 28 and name HN ))
3.500 1.500 1.500 peak 226 spectrum 1 weight .10000E+01 volume .49026E-03 ppm1 1.965 ppm2 7.916 CV 1
ASSI { 227}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 24 and name HD2 ))
2.400 .700 .700 peak 227 spectrum 1 weight .10000E+01 volume .43210E-02 ppm1 1.914 ppm2 6.946 CV 1
ASSI { 228}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HN ))
3.400 1.500 1.500 peak 228 spectrum 1 weight .10000E+01 volume .56508E-03 ppm1 1.912 ppm2 7.876 CV 1
ASSI { 229}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 28 and name HN ))
3.300 1.300 1.300 peak 229 spectrum 1 weight .10000E+01 volume .71516E-03 ppm1 1.912 ppm2 7.915 CV 1
ASSI { 230}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HN ))
2.600 .800 .800 peak 230 spectrum 1 weight .10000E+01 volume .30656E-02 ppm1 1.496 ppm2 7.874 CV 1
OR { 230}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HN ))
ASSI { 231}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 25 and name HN ))
3.400 1.500 1.500 peak 231 spectrum 1 weight .10000E+01 volume .53799E-03 ppm1 7.877 ppm2 8.321 CV 1
ASSI { 232}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HN ))
2.300 .600 .600 peak 232 spectrum 1 weight .10000E+01 volume .64010E-02 ppm1 4.650 ppm2 8.197 CV 1
ASSI { 233}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 29 and name HN ))
2.900 1.000 1.000 peak 233 spectrum 1 weight .10000E+01 volume .16334E-02 ppm1 3.789 ppm2 8.196 CV 1
OR { 233}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 29 and name HN ))
ASSI { 234}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 23 and name HN ))
3.400 1.400 1.400 peak 234 spectrum 1 weight .10000E+01 volume .57030E-03 ppm1 7.914 ppm2 8.295 CV 1
ASSI { 235}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 23 and name HN ))
3.100 1.200 1.200 peak 235 spectrum 1 weight .10000E+01 volume .95765E-03 ppm1 5.494 ppm2 8.293 CV 1
ASSI { 236}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.900 1.000 1.000 peak 236 spectrum 1 weight .10000E+01 volume .15602E-02 ppm1 5.496 ppm2 8.195 CV 1
ASSI { 237}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
2.300 .600 .600 peak 237 spectrum 1 weight .10000E+01 volume .66977E-02 ppm1 5.498 ppm2 9.078 CV 1
ASSI { 238}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 29 and name HN ))
2.800 1.000 1.000 peak 238 spectrum 1 weight .10000E+01 volume .17962E-02 ppm1 3.925 ppm2 8.196 CV 1
ASSI { 239}
(( segid " " and resid 29 and name HB ))
(( segid " " and resid 30 and name HN ))
2.800 .900 .900 peak 239 spectrum 1 weight .10000E+01 volume .20192E-02 ppm1 3.925 ppm2 9.080 CV 1
ASSI { 240}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 23 and name HN ))
3.300 1.300 1.300 peak 240 spectrum 1 weight .10000E+01 volume .70840E-03 ppm1 1.028 ppm2 8.291 CV 1
ASSI { 241}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 29 and name HN ))
3.100 1.200 1.200 peak 241 spectrum 1 weight .10000E+01 volume .10516E-02 ppm1 1.027 ppm2 8.196 CV 1
ASSI { 242}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 30 and name HN ))
2.600 .900 .900 peak 242 spectrum 1 weight .10000E+01 volume .27701E-02 ppm1 1.027 ppm2 9.078 CV 1
ASSI { 243}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HE21))
2.800 1.000 1.000 peak 243 spectrum 1 weight .10000E+01 volume .17995E-02 ppm1 2.458 ppm2 6.920 CV 1
ASSI { 244}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HE22))
3.200 1.300 1.300 peak 244 spectrum 1 weight .10000E+01 volume .85724E-03 ppm1 2.459 ppm2 6.444 CV 1
ASSI { 245}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HN ))
3.100 1.200 1.200 peak 245 spectrum 1 weight .10000E+01 volume .10014E-02 ppm1 2.460 ppm2 9.077 CV 1
ASSI { 246}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 31 and name HN ))
2.900 1.100 1.100 peak 246 spectrum 1 weight .10000E+01 volume .14754E-02 ppm1 2.460 ppm2 8.770 CV 1
ASSI { 247}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 32 and name HE1 ))
2.900 1.100 1.100 peak 247 spectrum 1 weight .10000E+01 volume .14095E-02 ppm1 2.461 ppm2 7.892 CV 1
ASSI { 248}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 32 and name HN ))
3.000 1.100 1.100 peak 248 spectrum 1 weight .10000E+01 volume .12494E-02 ppm1 2.460 ppm2 7.728 CV 1
ASSI { 249}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HE21))
3.100 1.200 1.200 peak 249 spectrum 1 weight .10000E+01 volume .10047E-02 ppm1 2.097 ppm2 6.918 CV 1
ASSI { 250}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HN ))
3.300 1.300 1.300 peak 250 spectrum 1 weight .10000E+01 volume .70565E-03 ppm1 2.095 ppm2 9.079 CV 1
ASSI { 251}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 31 and name HN ))
2.600 .900 .900 peak 251 spectrum 1 weight .10000E+01 volume .26722E-02 ppm1 2.095 ppm2 8.771 CV 1
ASSI { 252}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 32 and name HE1 ))
2.700 .900 .900 peak 252 spectrum 1 weight .10000E+01 volume .22844E-02 ppm1 2.097 ppm2 7.891 CV 1
ASSI { 253}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 253 spectrum 1 weight .10000E+01 volume .10594E-02 ppm1 2.098 ppm2 7.728 CV 1
ASSI { 254}
(( segid " " and resid 30 and name HE21))
(( segid " " and resid 32 and name HE1 ))
3.000 1.100 1.100 peak 254 spectrum 1 weight .10000E+01 volume .11817E-02 ppm1 6.915 ppm2 7.892 CV 1
ASSI { 255}
(( segid " " and resid 30 and name HE21))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 255 spectrum 1 weight .10000E+01 volume .98150E-03 ppm1 6.915 ppm2 7.727 CV 1
ASSI { 256}
(( segid " " and resid 30 and name HE22))
(( segid " " and resid 9 and name HH2 ))
3.100 1.200 1.200 peak 256 spectrum 1 weight .10000E+01 volume .10462E-02 ppm1 6.445 ppm2 6.983 CV 1
ASSI { 257}
(( segid " " and resid 30 and name HE22))
(( segid " " and resid 30 and name HE21))
1.700 .400 .500 peak 257 spectrum 1 weight .10000E+01 volume .37807E-01 ppm1 6.446 ppm2 6.921 CV 1
ASSI { 258}
(( segid " " and resid 30 and name HE22))
(( segid " " and resid 32 and name HE1 ))
3.100 1.200 1.200 peak 258 spectrum 1 weight .10000E+01 volume .97506E-03 ppm1 6.447 ppm2 7.891 CV 1
ASSI { 259}
(( segid " " and resid 30 and name HE22))
(( segid " " and resid 32 and name HN ))
3.500 1.500 1.500 peak 259 spectrum 1 weight .10000E+01 volume .51571E-03 ppm1 6.446 ppm2 7.726 CV 1
ASSI { 260}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HE21))
2.300 .700 .700 peak 260 spectrum 1 weight .10000E+01 volume .62740E-02 ppm1 2.382 ppm2 6.920 CV 1
ASSI { 261}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HE22))
2.600 .900 .900 peak 261 spectrum 1 weight .10000E+01 volume .27887E-02 ppm1 2.383 ppm2 6.444 CV 1
ASSI { 262}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HN ))
3.000 1.100 1.100 peak 262 spectrum 1 weight .10000E+01 volume .12756E-02 ppm1 2.381 ppm2 9.078 CV 1
ASSI { 263}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 32 and name HE1 ))
3.300 1.400 1.400 peak 263 spectrum 1 weight .10000E+01 volume .67892E-03 ppm1 2.385 ppm2 7.891 CV 1
ASSI { 264}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 32 and name HN ))
2.800 1.000 1.000 peak 264 spectrum 1 weight .10000E+01 volume .18670E-02 ppm1 2.381 ppm2 7.729 CV 1
ASSI { 265}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 30 and name HE21))
2.700 .900 .900 peak 265 spectrum 1 weight .10000E+01 volume .22639E-02 ppm1 2.195 ppm2 6.920 CV 1
ASSI { 266}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 30 and name HE22))
3.100 1.200 1.200 peak 266 spectrum 1 weight .10000E+01 volume .91368E-03 ppm1 2.196 ppm2 6.444 CV 1
ASSI { 267}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 30 and name HN ))
2.600 .900 .900 peak 267 spectrum 1 weight .10000E+01 volume .26847E-02 ppm1 2.187 ppm2 9.078 CV 1
ASSI { 268}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 31 and name HN ))
3.200 1.300 1.300 peak 268 spectrum 1 weight .10000E+01 volume .75995E-03 ppm1 2.172 ppm2 8.771 CV 1
ASSI { 269}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 32 and name HE1 ))
3.400 1.400 1.400 peak 269 spectrum 1 weight .10000E+01 volume .58158E-03 ppm1 2.188 ppm2 7.892 CV 1
ASSI { 270}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 32 and name HN ))
3.000 1.200 1.200 peak 270 spectrum 1 weight .10000E+01 volume .11313E-02 ppm1 2.188 ppm2 7.728 CV 1
ASSI { 271}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
2.900 1.100 1.100 peak 271 spectrum 1 weight .10000E+01 volume .14770E-02 ppm1 4.898 ppm2 8.771 CV 1
ASSI { 272}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HN ))
2.500 .800 .800 peak 272 spectrum 1 weight .10000E+01 volume .33409E-02 ppm1 3.612 ppm2 8.772 CV 1
ASSI { 273}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 32 and name HN ))
3.300 1.300 1.300 peak 273 spectrum 1 weight .10000E+01 volume .74512E-03 ppm1 3.618 ppm2 7.729 CV 1
ASSI { 274}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HN ))
2.600 .800 .800 peak 274 spectrum 1 weight .10000E+01 volume .32100E-02 ppm1 3.164 ppm2 8.771 CV 1
ASSI { 275}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 275 spectrum 1 weight .10000E+01 volume .10643E-02 ppm1 3.166 ppm2 7.730 CV 1
ASSI { 276}
(( segid " " and resid 31 and name HD1 ))
(( segid " " and resid 31 and name HE1 ))
2.300 .700 .700 peak 276 spectrum 1 weight .10000E+01 volume .57088E-02 ppm1 7.365 ppm2 10.061 CV 1
ASSI { 277}
(( segid " " and resid 31 and name HD1 ))
(( segid " " and resid 31 and name HN ))
3.000 1.100 1.100 peak 277 spectrum 1 weight .10000E+01 volume .13308E-02 ppm1 7.376 ppm2 8.770 CV 1
ASSI { 278}
(( segid " " and resid 31 and name HH2 ))
(( segid " " and resid 31 and name HZ2 ))
2.100 .600 .600 peak 278 spectrum 1 weight .10000E+01 volume .91445E-02 ppm1 7.073 ppm2 7.261 CV 1
ASSI { 279}
(( segid " " and resid 31 and name HZ2 ))
(( segid " " and resid 31 and name HE1 ))
2.700 .900 .900 peak 279 spectrum 1 weight .10000E+01 volume .22458E-02 ppm1 7.258 ppm2 10.061 CV 1
ASSI { 280}
(( segid " " and resid 31 and name HZ3 ))
(( segid " " and resid 31 and name HE3 ))
2.400 .700 .700 peak 280 spectrum 1 weight .10000E+01 volume .49012E-02 ppm1 6.880 ppm2 8.023 CV 1
ASSI { 281}
(( segid " " and resid 31 and name HZ3 ))
(( segid " " and resid 31 and name HH2 ))
2.400 .700 .700 peak 281 spectrum 1 weight .10000E+01 volume .52382E-02 ppm1 6.887 ppm2 7.077 CV 1
ASSI { 282}
(( segid " " and resid 31 and name HZ3 ))
(( segid " " and resid 31 and name HZ2 ))
3.000 1.100 1.100 peak 282 spectrum 1 weight .10000E+01 volume .11427E-02 ppm1 6.887 ppm2 7.261 CV 1
ASSI { 283}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
2.400 .700 .700 peak 283 spectrum 1 weight .10000E+01 volume .49316E-02 ppm1 4.882 ppm2 8.507 CV 1
ASSI { 284}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 30 and name HE22))
3.400 1.500 1.500 peak 284 spectrum 1 weight .10000E+01 volume .53224E-03 ppm1 3.024 ppm2 6.445 CV 1
OR { 284}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 30 and name HE22))
ASSI { 285}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HD2 ))
2.200 .600 .600 peak 285 spectrum 1 weight .10000E+01 volume .88023E-02 ppm1 3.025 ppm2 6.908 CV 1
OR { 285}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HD2 ))
ASSI { 286}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HN ))
2.400 .700 .700 peak 286 spectrum 1 weight .10000E+01 volume .46919E-02 ppm1 3.024 ppm2 7.729 CV 1
OR { 286}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HN ))
ASSI { 287}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 33 and name HN ))
2.500 .800 .800 peak 287 spectrum 1 weight .10000E+01 volume .35170E-02 ppm1 3.022 ppm2 8.506 CV 1
OR { 287}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 33 and name HN ))
ASSI { 288}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
2.600 .800 .800 peak 288 spectrum 1 weight .10000E+01 volume .28195E-02 ppm1 7.733 ppm2 8.772 CV 1
ASSI { 289}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 30 and name HE21))
3.100 1.200 1.200 peak 289 spectrum 1 weight .10000E+01 volume .91066E-03 ppm1 2.615 ppm2 6.920 CV 1
ASSI { 290}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
2.900 1.100 1.100 peak 290 spectrum 1 weight .10000E+01 volume .14735E-02 ppm1 2.617 ppm2 8.506 CV 1
ASSI { 291}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HN ))
2.600 .800 .800 peak 291 spectrum 1 weight .10000E+01 volume .31187E-02 ppm1 1.367 ppm2 8.506 CV 1
OR { 291}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HN ))
ASSI { 292}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 30 and name HE21))
2.800 1.000 1.000 peak 292 spectrum 1 weight .10000E+01 volume .19943E-02 ppm1 3.954 ppm2 6.920 CV 1
ASSI { 293}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 30 and name HE22))
2.600 .900 .900 peak 293 spectrum 1 weight .10000E+01 volume .25586E-02 ppm1 3.953 ppm2 6.445 CV 1
ASSI { 294}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
2.300 .700 .700 peak 294 spectrum 1 weight .10000E+01 volume .62563E-02 ppm1 3.957 ppm2 7.920 CV 1
ASSI { 295}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 9 and name HE1 ))
3.300 1.300 1.300 peak 295 spectrum 1 weight .10000E+01 volume .73041E-03 ppm1 .760 ppm2 10.475 CV 1
ASSI { 296}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 30 and name HE21))
3.100 1.200 1.200 peak 296 spectrum 1 weight .10000E+01 volume .10360E-02 ppm1 .739 ppm2 6.918 CV 1
ASSI { 297}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 30 and name HE22))
3.200 1.300 1.300 peak 297 spectrum 1 weight .10000E+01 volume .88382E-03 ppm1 .742 ppm2 6.442 CV 1
ASSI { 298}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HN ))
2.300 .600 .600 peak 298 spectrum 1 weight .10000E+01 volume .65825E-02 ppm1 4.324 ppm2 7.909 CV 1
ASSI { 299}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
2.800 1.000 1.000 peak 299 spectrum 1 weight .10000E+01 volume .17880E-02 ppm1 4.078 ppm2 7.911 CV 1
ASSI { 300}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HN ))
2.300 .700 .700 peak 300 spectrum 1 weight .10000E+01 volume .56704E-02 ppm1 1.508 ppm2 7.907 CV 1
OR { 300}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HN ))
ASSI { 3}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 9 and name HB2 ))
3.100 1.200 1.200 peak 3 spectrum 2 weight .10000E+01 volume .34268E-03 ppm1 1.687 ppm2 3.160 CV 1
ASSI { 4}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 9 and name HB3 ))
3.500 1.600 1.600 peak 4 spectrum 2 weight .10000E+01 volume .14326E-03 ppm1 1.688 ppm2 2.920 CV 1
ASSI { 5}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 6 and name HD2 ))
3.600 1.600 1.600 peak 5 spectrum 2 weight .10000E+01 volume .12893E-03 ppm1 1.006 ppm2 3.430 CV 1
ASSI { 6}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 9 and name HB2 ))
3.000 1.100 1.100 peak 6 spectrum 2 weight .10000E+01 volume .40691E-03 ppm1 1.004 ppm2 3.161 CV 1
ASSI { 7}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 9 and name HD1 ))
3.700 1.700 1.700 peak 7 spectrum 2 weight .10000E+01 volume .10690E-03 ppm1 1.001 ppm2 6.970 CV 1
ASSI { 8}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 9 and name HE3 ))
3.300 1.400 1.400 peak 8 spectrum 2 weight .10000E+01 volume .20004E-03 ppm1 1.007 ppm2 7.242 CV 1
ASSI { 9}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 11 and name HB2 ))
2.600 .800 .800 peak 9 spectrum 2 weight .10000E+01 volume .95768E-03 ppm1 1.004 ppm2 1.929 CV 1
OR { 9}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 11 and name HB3 ))
ASSI { 10}
( segid " " and resid 5 and name HD1%)
( segid " " and resid 21 and name HD% )
2.200 .600 .600 peak 10 spectrum 2 weight .10000E+01 volume .25447E-02 ppm1 .998 ppm2 6.721 CV 1
ASSI { 11}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 33 and name HA ))
3.900 1.900 1.900 peak 11 spectrum 2 weight .10000E+01 volume .85104E-04 ppm1 1.004 ppm2 2.626 CV 1
ASSI { 12}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 6 and name HD2 ))
2.800 1.000 1.000 peak 12 spectrum 2 weight .10000E+01 volume .59734E-03 ppm1 .692 ppm2 3.430 CV 1
ASSI { 13}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 9 and name HB2 ))
3.200 1.300 1.300 peak 13 spectrum 2 weight .10000E+01 volume .26175E-03 ppm1 .693 ppm2 3.158 CV 1
ASSI { 14}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 9 and name HD1 ))
3.500 1.600 1.600 peak 14 spectrum 2 weight .10000E+01 volume .14734E-03 ppm1 .692 ppm2 6.971 CV 1
ASSI { 15}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 9 and name HE3 ))
3.400 1.400 1.400 peak 15 spectrum 2 weight .10000E+01 volume .19228E-03 ppm1 .695 ppm2 7.243 CV 1
ASSI { 16}
( segid " " and resid 5 and name HD2%)
( segid " " and resid 21 and name HD% )
2.300 .600 .600 peak 16 spectrum 2 weight .10000E+01 volume .20204E-02 ppm1 .695 ppm2 6.721 CV 1
ASSI { 17}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 33 and name HA ))
3.300 1.300 1.300 peak 17 spectrum 2 weight .10000E+01 volume .22418E-03 ppm1 .693 ppm2 2.626 CV 1
ASSI { 18}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 6 and name HD2 ))
3.000 1.100 1.100 peak 18 spectrum 2 weight .10000E+01 volume .37742E-03 ppm1 1.345 ppm2 3.430 CV 1
ASSI { 19}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 6 and name HD3 ))
2.900 1.000 1.000 peak 19 spectrum 2 weight .10000E+01 volume .49471E-03 ppm1 1.345 ppm2 2.782 CV 1
ASSI { 20}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 9 and name HB2 ))
2.700 .900 .900 peak 20 spectrum 2 weight .10000E+01 volume .66995E-03 ppm1 1.343 ppm2 3.161 CV 1
ASSI { 21}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 9 and name HB3 ))
3.100 1.200 1.200 peak 21 spectrum 2 weight .10000E+01 volume .29359E-03 ppm1 1.343 ppm2 2.920 CV 1
ASSI { 22}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 9 and name HD1 ))
3.300 1.300 1.300 peak 22 spectrum 2 weight .10000E+01 volume .22467E-03 ppm1 1.344 ppm2 6.970 CV 1
ASSI { 23}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 9 and name HE3 ))
4.000 2.000 2.000 peak 23 spectrum 2 weight .10000E+01 volume .69224E-04 ppm1 1.345 ppm2 7.240 CV 1
ASSI { 24}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 9 and name HD1 ))
2.700 .900 .900 peak 24 spectrum 2 weight .10000E+01 volume .79970E-03 ppm1 2.491 ppm2 6.970 CV 1
ASSI { 25}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 9 and name HD1 ))
2.200 .600 .600 peak 25 spectrum 2 weight .10000E+01 volume .22949E-02 ppm1 1.921 ppm2 6.970 CV 1
ASSI { 26}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 5 and name HA ))
2.500 .800 .800 peak 26 spectrum 2 weight .10000E+01 volume .12450E-02 ppm1 3.430 ppm2 4.386 CV 1
ASSI { 27}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 9 and name HD1 ))
3.100 1.200 1.200 peak 27 spectrum 2 weight .10000E+01 volume .33052E-03 ppm1 3.432 ppm2 6.970 CV 1
ASSI { 28}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 5 and name HA ))
2.700 .900 .900 peak 28 spectrum 2 weight .10000E+01 volume .67087E-03 ppm1 2.781 ppm2 4.387 CV 1
ASSI { 29}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 9 and name HD1 ))
2.700 .900 .900 peak 29 spectrum 2 weight .10000E+01 volume .78204E-03 ppm1 2.780 ppm2 6.970 CV 1
ASSI { 30}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 9 and name HD1 ))
3.100 1.200 1.200 peak 30 spectrum 2 weight .10000E+01 volume .32929E-03 ppm1 1.634 ppm2 6.970 CV 1
ASSI { 31}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 9 and name HD1 ))
2.700 .900 .900 peak 31 spectrum 2 weight .10000E+01 volume .80753E-03 ppm1 1.450 ppm2 6.970 CV 1
ASSI { 33}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 9 and name HD1 ))
3.500 1.500 1.500 peak 33 spectrum 2 weight .10000E+01 volume .15863E-03 ppm1 3.611 ppm2 6.969 CV 1
ASSI { 34}
(( segid " " and resid 8 and name HA1 ))
(( segid " " and resid 9 and name HD1 ))
3.600 1.600 1.600 peak 34 spectrum 2 weight .10000E+01 volume .13042E-03 ppm1 4.150 ppm2 6.969 CV 1
ASSI { 35}
(( segid " " and resid 8 and name HA2 ))
(( segid " " and resid 24 and name HD2 ))
3.600 1.600 1.600 peak 35 spectrum 2 weight .10000E+01 volume .12873E-03 ppm1 3.590 ppm2 7.030 CV 1
ASSI { 36}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HD1 ))
3.300 1.300 1.300 peak 36 spectrum 2 weight .10000E+01 volume .22744E-03 ppm1 5.478 ppm2 6.969 CV 1
ASSI { 37}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HE3 ))
2.900 1.100 1.100 peak 37 spectrum 2 weight .10000E+01 volume .45254E-03 ppm1 5.485 ppm2 7.240 CV 1
ASSI { 38}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 24 and name HD2 ))
3.500 1.500 1.500 peak 38 spectrum 2 weight .10000E+01 volume .16304E-03 ppm1 5.477 ppm2 7.031 CV 1
ASSI { 39}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HD1 ))
2.600 .800 .800 peak 39 spectrum 2 weight .10000E+01 volume .10234E-02 ppm1 3.166 ppm2 6.970 CV 1
ASSI { 40}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HE3 ))
2.900 1.100 1.100 peak 40 spectrum 2 weight .10000E+01 volume .45669E-03 ppm1 3.165 ppm2 7.240 CV 1
ASSI { 41}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HD1 ))
2.800 1.000 1.000 peak 41 spectrum 2 weight .10000E+01 volume .58127E-03 ppm1 2.920 ppm2 6.970 CV 1
ASSI { 42}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HE3 ))
2.200 .600 .600 peak 42 spectrum 2 weight .10000E+01 volume .22125E-02 ppm1 2.922 ppm2 7.240 CV 1
ASSI { 43}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 9 and name HA ))
4.000 2.000 2.000 peak 43 spectrum 2 weight .10000E+01 volume .69068E-04 ppm1 1.919 ppm2 5.479 CV 1
OR { 43}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 9 and name HA ))
ASSI { 44}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 24 and name HD2 ))
3.700 1.700 1.700 peak 44 spectrum 2 weight .10000E+01 volume .11906E-03 ppm1 2.281 ppm2 7.031 CV 1
ASSI { 45}
(( segid " " and resid 10 and name HG3 ))
(( segid " " and resid 24 and name HD2 ))
3.800 1.800 1.800 peak 45 spectrum 2 weight .10000E+01 volume .94289E-04 ppm1 2.165 ppm2 7.030 CV 1
ASSI { 46}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 21 and name HA ))
2.700 .900 .900 peak 46 spectrum 2 weight .10000E+01 volume .79001E-03 ppm1 4.367 ppm2 5.268 CV 1
ASSI { 47}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 21 and name HD% )
2.500 .800 .800 peak 47 spectrum 2 weight .10000E+01 volume .12580E-02 ppm1 4.367 ppm2 6.720 CV 1
ASSI { 48}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 21 and name HA ))
3.500 1.600 1.600 peak 48 spectrum 2 weight .10000E+01 volume .14375E-03 ppm1 1.931 ppm2 5.266 CV 1
OR { 48}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 21 and name HA ))
ASSI { 49}
(( segid " " and resid 11 and name HB3 ))
( segid " " and resid 21 and name HD% )
2.300 .700 .700 peak 49 spectrum 2 weight .10000E+01 volume .17570E-02 ppm1 1.932 ppm2 6.717 CV 1
OR { 49}
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 21 and name HD% )
ASSI { 50}
(( segid " " and resid 11 and name HG2 ))
( segid " " and resid 21 and name HD% )
2.800 1.000 1.000 peak 50 spectrum 2 weight .10000E+01 volume .57953E-03 ppm1 1.841 ppm2 6.717 CV 1
ASSI { 51}
(( segid " " and resid 11 and name HG3 ))
( segid " " and resid 21 and name HD% )
2.600 .900 .900 peak 51 spectrum 2 weight .10000E+01 volume .85005E-03 ppm1 1.764 ppm2 6.719 CV 1
ASSI { 52}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 20 and name HD% )
3.400 1.500 1.500 peak 52 spectrum 2 weight .10000E+01 volume .16764E-03 ppm1 1.227 ppm2 6.691 CV 1
ASSI { 53}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 20 and name HE% )
2.900 1.000 1.000 peak 53 spectrum 2 weight .10000E+01 volume .49036E-03 ppm1 1.227 ppm2 6.278 CV 1
ASSI { 54}
(( segid " " and resid 12 and name HB3 ))
( segid " " and resid 20 and name HD% )
3.400 1.500 1.500 peak 54 spectrum 2 weight .10000E+01 volume .17094E-03 ppm1 -.023 ppm2 6.691 CV 1
ASSI { 55}
(( segid " " and resid 12 and name HB3 ))
( segid " " and resid 20 and name HE% )
2.900 1.100 1.100 peak 55 spectrum 2 weight .10000E+01 volume .46511E-03 ppm1 -.023 ppm2 6.278 CV 1
ASSI { 56}
(( segid " " and resid 12 and name HB3 ))
( segid " " and resid 22 and name HG1%)
3.000 1.100 1.100 peak 56 spectrum 2 weight .10000E+01 volume .41091E-03 ppm1 -.034 ppm2 .696 CV 1
ASSI { 57}
(( segid " " and resid 12 and name HD3 ))
( segid " " and resid 20 and name HE% )
3.000 1.100 1.100 peak 57 spectrum 2 weight .10000E+01 volume .36841E-03 ppm1 1.476 ppm2 6.278 CV 1
OR { 57}
(( segid " " and resid 12 and name HD2 ))
( segid " " and resid 20 and name HE% )
ASSI { 58}
(( segid " " and resid 12 and name HG3 ))
( segid " " and resid 20 and name HD% )
3.700 1.700 1.700 peak 58 spectrum 2 weight .10000E+01 volume .11172E-03 ppm1 .917 ppm2 6.693 CV 1
ASSI { 59}
(( segid " " and resid 12 and name HG3 ))
( segid " " and resid 20 and name HE% )
3.500 1.500 1.500 peak 59 spectrum 2 weight .10000E+01 volume .15146E-03 ppm1 .918 ppm2 6.278 CV 1
ASSI { 60}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 20 and name HD% )
3.000 1.100 1.100 peak 60 spectrum 2 weight .10000E+01 volume .41294E-03 ppm1 4.967 ppm2 6.693 CV 1
ASSI { 61}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 20 and name HE% )
3.400 1.400 1.400 peak 61 spectrum 2 weight .10000E+01 volume .18585E-03 ppm1 4.967 ppm2 6.278 CV 1
ASSI { 62}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 19 and name HA ))
3.400 1.400 1.400 peak 62 spectrum 2 weight .10000E+01 volume .19476E-03 ppm1 1.776 ppm2 4.935 CV 1
ASSI { 63}
( segid " " and resid 13 and name HG1%)
(( segid " " and resid 12 and name HA ))
3.200 1.300 1.300 peak 63 spectrum 2 weight .10000E+01 volume .27290E-03 ppm1 .905 ppm2 4.430 CV 1
ASSI { 64}
( segid " " and resid 13 and name HG1%)
(( segid " " and resid 17 and name HA1 ))
2.800 1.000 1.000 peak 64 spectrum 2 weight .10000E+01 volume .62864E-03 ppm1 .903 ppm2 4.155 CV 1
ASSI { 65}
( segid " " and resid 13 and name HG1%)
(( segid " " and resid 17 and name HA2 ))
2.500 .800 .800 peak 65 spectrum 2 weight .10000E+01 volume .12671E-02 ppm1 .904 ppm2 3.560 CV 1
ASSI { 66}
( segid " " and resid 13 and name HG1%)
(( segid " " and resid 19 and name HA ))
3.000 1.100 1.100 peak 66 spectrum 2 weight .10000E+01 volume .41233E-03 ppm1 .905 ppm2 4.937 CV 1
ASSI { 67}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 12 and name HA ))
3.500 1.500 1.500 peak 67 spectrum 2 weight .10000E+01 volume .16619E-03 ppm1 .824 ppm2 4.430 CV 1
ASSI { 68}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 17 and name HA1 ))
3.400 1.500 1.500 peak 68 spectrum 2 weight .10000E+01 volume .18026E-03 ppm1 .825 ppm2 4.159 CV 1
ASSI { 69}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 17 and name HA2 ))
3.200 1.200 1.200 peak 69 spectrum 2 weight .10000E+01 volume .28280E-03 ppm1 .819 ppm2 3.559 CV 1
ASSI { 70}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 19 and name HA ))
2.900 1.000 1.000 peak 70 spectrum 2 weight .10000E+01 volume .47992E-03 ppm1 .824 ppm2 4.937 CV 1
ASSI { 71}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 20 and name HD% )
3.000 1.100 1.100 peak 71 spectrum 2 weight .10000E+01 volume .39285E-03 ppm1 4.928 ppm2 6.693 CV 1
ASSI { 72}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 20 and name HE% )
2.700 .900 .900 peak 72 spectrum 2 weight .10000E+01 volume .78645E-03 ppm1 4.928 ppm2 6.276 CV 1
ASSI { 73}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 20 and name HD% )
3.200 1.300 1.300 peak 73 spectrum 2 weight .10000E+01 volume .26644E-03 ppm1 3.406 ppm2 6.690 CV 1
ASSI { 74}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 20 and name HE% )
2.800 1.000 1.000 peak 74 spectrum 2 weight .10000E+01 volume .55874E-03 ppm1 3.407 ppm2 6.278 CV 1
ASSI { 75}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 20 and name HD% )
2.800 1.000 1.000 peak 75 spectrum 2 weight .10000E+01 volume .56052E-03 ppm1 2.780 ppm2 6.690 CV 1
ASSI { 76}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 20 and name HE% )
2.600 .800 .800 peak 76 spectrum 2 weight .10000E+01 volume .10245E-02 ppm1 2.780 ppm2 6.278 CV 1
ASSI { 77}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 31 and name HD1 ))
4.000 2.000 2.000 peak 77 spectrum 2 weight .10000E+01 volume .68095E-04 ppm1 1.933 ppm2 7.367 CV 1
ASSI { 78}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 31 and name HE3 ))
3.600 1.600 1.600 peak 78 spectrum 2 weight .10000E+01 volume .12767E-03 ppm1 1.931 ppm2 8.007 CV 1
ASSI { 79}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 31 and name HH2 ))
3.500 1.500 1.500 peak 79 spectrum 2 weight .10000E+01 volume .15596E-03 ppm1 1.934 ppm2 7.071 CV 1
ASSI { 80}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 31 and name HZ3 ))
2.800 1.000 1.000 peak 80 spectrum 2 weight .10000E+01 volume .60325E-03 ppm1 1.932 ppm2 6.880 CV 1
ASSI { 81}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 31 and name HD1 ))
3.900 1.900 1.900 peak 81 spectrum 2 weight .10000E+01 volume .82327E-04 ppm1 1.631 ppm2 7.365 CV 1
ASSI { 82}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 31 and name HE3 ))
4.100 2.100 1.900 peak 82 spectrum 2 weight .10000E+01 volume .62044E-04 ppm1 1.631 ppm2 8.009 CV 1
ASSI { 83}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 31 and name HH2 ))
3.800 1.800 1.800 peak 83 spectrum 2 weight .10000E+01 volume .93712E-04 ppm1 1.633 ppm2 7.071 CV 1
ASSI { 84}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 31 and name HZ3 ))
3.400 1.400 1.400 peak 84 spectrum 2 weight .10000E+01 volume .18717E-03 ppm1 1.633 ppm2 6.880 CV 1
ASSI { 85}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 31 and name HZ3 ))
3.700 1.700 1.700 peak 85 spectrum 2 weight .10000E+01 volume .11019E-03 ppm1 3.121 ppm2 6.883 CV 1
ASSI { 86}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 31 and name HH2 ))
3.700 1.700 1.700 peak 86 spectrum 2 weight .10000E+01 volume .11646E-03 ppm1 2.833 ppm2 7.072 CV 1
ASSI { 87}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 31 and name HZ3 ))
3.600 1.600 1.600 peak 87 spectrum 2 weight .10000E+01 volume .13667E-03 ppm1 2.833 ppm2 6.883 CV 1
ASSI { 88}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 31 and name HH2 ))
3.400 1.500 1.500 peak 88 spectrum 2 weight .10000E+01 volume .17955E-03 ppm1 2.298 ppm2 7.071 CV 1
OR { 88}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 31 and name HH2 ))
ASSI { 89}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 31 and name HZ3 ))
2.900 1.100 1.100 peak 89 spectrum 2 weight .10000E+01 volume .43596E-03 ppm1 2.298 ppm2 6.885 CV 1
OR { 89}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 31 and name HZ3 ))
ASSI { 90}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 13 and name HA ))
2.300 .600 .600 peak 90 spectrum 2 weight .10000E+01 volume .20584E-02 ppm1 4.938 ppm2 4.980 CV 1
ASSI { 91}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 13 and name HA ))
3.300 1.400 1.400 peak 91 spectrum 2 weight .10000E+01 volume .21367E-03 ppm1 .991 ppm2 4.980 CV 1
ASSI { 92}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 20 and name HA ))
3.400 1.500 1.500 peak 92 spectrum 2 weight .10000E+01 volume .17592E-03 ppm1 .990 ppm2 4.609 CV 1
ASSI { 93}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 21 and name HA ))
3.800 1.800 1.800 peak 93 spectrum 2 weight .10000E+01 volume .89270E-04 ppm1 .993 ppm2 5.267 CV 1
ASSI { 94}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 20 and name HD% )
3.900 1.900 1.900 peak 94 spectrum 2 weight .10000E+01 volume .85891E-04 ppm1 4.606 ppm2 6.691 CV 1
ASSI { 95}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 31 and name HA ))
4.000 2.000 2.000 peak 95 spectrum 2 weight .10000E+01 volume .69640E-04 ppm1 4.604 ppm2 4.900 CV 1
ASSI { 96}
(( segid " " and resid 20 and name HB2 ))
( segid " " and resid 20 and name HD% )
2.500 .800 .800 peak 96 spectrum 2 weight .10000E+01 volume .11514E-02 ppm1 2.430 ppm2 6.690 CV 1
ASSI { 97}
(( segid " " and resid 20 and name HB2 ))
( segid " " and resid 20 and name HE% )
3.500 1.600 1.600 peak 97 spectrum 2 weight .10000E+01 volume .14385E-03 ppm1 2.430 ppm2 6.278 CV 1
ASSI { 98}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 31 and name HA ))
3.500 1.600 1.600 peak 98 spectrum 2 weight .10000E+01 volume .14271E-03 ppm1 2.426 ppm2 4.900 CV 1
ASSI { 99}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 31 and name HD1 ))
3.500 1.500 1.500 peak 99 spectrum 2 weight .10000E+01 volume .15670E-03 ppm1 2.436 ppm2 7.365 CV 1
ASSI { 100}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 31 and name HE3 ))
3.100 1.200 1.200 peak 100 spectrum 2 weight .10000E+01 volume .33049E-03 ppm1 2.436 ppm2 8.005 CV 1
ASSI { 101}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 31 and name HZ3 ))
3.100 1.200 1.200 peak 101 spectrum 2 weight .10000E+01 volume .32564E-03 ppm1 2.435 ppm2 6.883 CV 1
ASSI { 102}
(( segid " " and resid 20 and name HB3 ))
( segid " " and resid 20 and name HD% )
2.400 .700 .700 peak 102 spectrum 2 weight .10000E+01 volume .13110E-02 ppm1 2.128 ppm2 6.690 CV 1
ASSI { 103}
(( segid " " and resid 20 and name HB3 ))
( segid " " and resid 20 and name HE% )
3.500 1.500 1.500 peak 103 spectrum 2 weight .10000E+01 volume .16270E-03 ppm1 2.128 ppm2 6.279 CV 1
ASSI { 104}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 31 and name HA ))
3.400 1.500 1.500 peak 104 spectrum 2 weight .10000E+01 volume .17308E-03 ppm1 2.128 ppm2 4.900 CV 1
ASSI { 105}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 31 and name HD1 ))
3.600 1.600 1.600 peak 105 spectrum 2 weight .10000E+01 volume .12741E-03 ppm1 2.126 ppm2 7.365 CV 1
ASSI { 106}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 31 and name HE3 ))
3.300 1.400 1.400 peak 106 spectrum 2 weight .10000E+01 volume .21157E-03 ppm1 2.128 ppm2 8.005 CV 1
ASSI { 107}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 31 and name HZ3 ))
3.600 1.600 1.600 peak 107 spectrum 2 weight .10000E+01 volume .13865E-03 ppm1 2.129 ppm2 6.885 CV 1
ASSI { 108}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 31 and name HZ3 ))
3.100 1.200 1.200 peak 108 spectrum 2 weight .10000E+01 volume .29885E-03 ppm1 6.686 ppm2 6.882 CV 1
ASSI { 109}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 9 and name HE3 ))
3.300 1.400 1.400 peak 109 spectrum 2 weight .10000E+01 volume .20144E-03 ppm1 5.267 ppm2 7.240 CV 1
ASSI { 110}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 21 and name HD% )
2.500 .800 .800 peak 110 spectrum 2 weight .10000E+01 volume .11253E-02 ppm1 5.267 ppm2 6.721 CV 1
ASSI { 111}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 9 and name HE3 ))
2.200 .600 .600 peak 111 spectrum 2 weight .10000E+01 volume .22125E-02 ppm1 2.933 ppm2 7.240 CV 1
ASSI { 112}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 21 and name HD% )
2.200 .600 .600 peak 112 spectrum 2 weight .10000E+01 volume .24477E-02 ppm1 2.933 ppm2 6.721 CV 1
ASSI { 113}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 9 and name HE3 ))
2.700 .900 .900 peak 113 spectrum 2 weight .10000E+01 volume .71235E-03 ppm1 2.621 ppm2 7.240 CV 1
ASSI { 114}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 21 and name HD% )
2.100 .600 .600 peak 114 spectrum 2 weight .10000E+01 volume .29486E-02 ppm1 2.622 ppm2 6.721 CV 1
ASSI { 115}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 9 and name HE3 ))
3.800 1.800 1.800 peak 115 spectrum 2 weight .10000E+01 volume .93487E-04 ppm1 4.875 ppm2 7.241 CV 1
ASSI { 116}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 29 and name HA ))
2.600 .900 .900 peak 116 spectrum 2 weight .10000E+01 volume .81981E-03 ppm1 4.875 ppm2 5.510 CV 1
ASSI { 117}
(( segid " " and resid 22 and name HB ))
( segid " " and resid 20 and name HD% )
3.400 1.400 1.400 peak 117 spectrum 2 weight .10000E+01 volume .18613E-03 ppm1 1.712 ppm2 6.691 CV 1
ASSI { 118}
(( segid " " and resid 22 and name HB ))
( segid " " and resid 20 and name HE% )
2.800 1.000 1.000 peak 118 spectrum 2 weight .10000E+01 volume .55252E-03 ppm1 1.711 ppm2 6.278 CV 1
ASSI { 119}
(( segid " " and resid 22 and name HB ))
(( segid " " and resid 24 and name HD2 ))
3.600 1.700 1.700 peak 119 spectrum 2 weight .10000E+01 volume .11979E-03 ppm1 1.710 ppm2 7.031 CV 1
ASSI { 120}
(( segid " " and resid 22 and name HB ))
(( segid " " and resid 29 and name HA ))
3.600 1.600 1.600 peak 120 spectrum 2 weight .10000E+01 volume .12968E-03 ppm1 1.713 ppm2 5.510 CV 1
ASSI { 121}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 12 and name HB2 ))
3.000 1.100 1.100 peak 121 spectrum 2 weight .10000E+01 volume .38173E-03 ppm1 .694 ppm2 1.208 CV 1
ASSI { 122}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 12 and name HD3 ))
2.900 1.000 1.000 peak 122 spectrum 2 weight .10000E+01 volume .47657E-03 ppm1 .694 ppm2 1.477 CV 1
OR { 122}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 12 and name HD2 ))
ASSI { 123}
( segid " " and resid 22 and name HG1%)
( segid " " and resid 20 and name HD% )
2.700 .900 .900 peak 123 spectrum 2 weight .10000E+01 volume .77456E-03 ppm1 .695 ppm2 6.691 CV 1
ASSI { 124}
( segid " " and resid 22 and name HG1%)
( segid " " and resid 20 and name HE% )
2.400 .700 .700 peak 124 spectrum 2 weight .10000E+01 volume .14213E-02 ppm1 .695 ppm2 6.278 CV 1
ASSI { 125}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 21 and name HA ))
3.800 1.800 1.800 peak 125 spectrum 2 weight .10000E+01 volume .98739E-04 ppm1 .695 ppm2 5.267 CV 1
ASSI { 126}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 24 and name HA ))
3.600 1.600 1.600 peak 126 spectrum 2 weight .10000E+01 volume .13147E-03 ppm1 .697 ppm2 4.277 CV 1
ASSI { 128}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 24 and name HE1 ))
3.200 1.300 1.300 peak 128 spectrum 2 weight .10000E+01 volume .25652E-03 ppm1 .695 ppm2 8.275 CV 1
ASSI { 129}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 29 and name HA ))
3.200 1.300 1.300 peak 129 spectrum 2 weight .10000E+01 volume .25698E-03 ppm1 .695 ppm2 5.507 CV 1
ASSI { 130}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 29 and name HB ))
3.500 1.500 1.500 peak 130 spectrum 2 weight .10000E+01 volume .15065E-03 ppm1 .697 ppm2 3.915 CV 1
ASSI { 131}
( segid " " and resid 22 and name HG1%)
( segid " " and resid 29 and name HG2%)
2.500 .800 .800 peak 131 spectrum 2 weight .10000E+01 volume .12901E-02 ppm1 .695 ppm2 1.029 CV 1
ASSI { 132}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 10 and name HB3 ))
2.900 1.100 1.100 peak 132 spectrum 2 weight .10000E+01 volume .43682E-03 ppm1 .556 ppm2 1.918 CV 1
OR { 132}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 10 and name HB2 ))
ASSI { 133}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 12 and name HB2 ))
3.900 1.900 1.900 peak 133 spectrum 2 weight .10000E+01 volume .78860E-04 ppm1 .563 ppm2 1.208 CV 1
ASSI { 134}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 12 and name HD3 ))
3.100 1.200 1.200 peak 134 spectrum 2 weight .10000E+01 volume .29151E-03 ppm1 .562 ppm2 1.477 CV 1
OR { 134}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 12 and name HD2 ))
ASSI { 135}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 12 and name HE2 ))
3.500 1.500 1.500 peak 135 spectrum 2 weight .10000E+01 volume .16334E-03 ppm1 .565 ppm2 2.917 CV 1
ASSI { 136}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 12 and name HE3 ))
3.200 1.300 1.300 peak 136 spectrum 2 weight .10000E+01 volume .26461E-03 ppm1 .565 ppm2 2.779 CV 1
ASSI { 137}
( segid " " and resid 22 and name HG2%)
( segid " " and resid 20 and name HD% )
3.300 1.300 1.300 peak 137 spectrum 2 weight .10000E+01 volume .22453E-03 ppm1 .556 ppm2 6.691 CV 1
ASSI { 138}
( segid " " and resid 22 and name HG2%)
( segid " " and resid 20 and name HE% )
2.900 1.000 1.000 peak 138 spectrum 2 weight .10000E+01 volume .48036E-03 ppm1 .556 ppm2 6.279 CV 1
ASSI { 139}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 24 and name HA ))
3.400 1.400 1.400 peak 139 spectrum 2 weight .10000E+01 volume .19219E-03 ppm1 .553 ppm2 4.277 CV 1
ASSI { 141}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 24 and name HE1 ))
2.700 .900 .900 peak 141 spectrum 2 weight .10000E+01 volume .68641E-03 ppm1 .552 ppm2 8.275 CV 1
ASSI { 142}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 29 and name HA ))
3.500 1.600 1.600 peak 142 spectrum 2 weight .10000E+01 volume .14451E-03 ppm1 .553 ppm2 5.507 CV 1
ASSI { 143}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 29 and name HB ))
3.700 1.700 1.700 peak 143 spectrum 2 weight .10000E+01 volume .10719E-03 ppm1 .555 ppm2 3.915 CV 1
ASSI { 144}
( segid " " and resid 22 and name HG2%)
( segid " " and resid 29 and name HG2%)
3.000 1.100 1.100 peak 144 spectrum 2 weight .10000E+01 volume .39351E-03 ppm1 .562 ppm2 1.029 CV 1
ASSI { 145}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 9 and name HA ))
2.600 .900 .900 peak 145 spectrum 2 weight .10000E+01 volume .86669E-03 ppm1 3.940 ppm2 5.481 CV 1
ASSI { 146}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 9 and name HE3 ))
3.400 1.400 1.400 peak 146 spectrum 2 weight .10000E+01 volume .19902E-03 ppm1 3.945 ppm2 7.240 CV 1
ASSI { 147}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 9 and name HZ3 ))
3.300 1.300 1.300 peak 147 spectrum 2 weight .10000E+01 volume .22523E-03 ppm1 3.946 ppm2 6.708 CV 1
ASSI { 148}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 9 and name HA ))
4.200 2.200 1.800 peak 148 spectrum 2 weight .10000E+01 volume .50969E-04 ppm1 2.360 ppm2 5.479 CV 1
ASSI { 149}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 9 and name HA ))
3.900 1.900 1.900 peak 149 spectrum 2 weight .10000E+01 volume .85142E-04 ppm1 -.190 ppm2 5.478 CV 1
ASSI { 150}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 9 and name HE3 ))
3.600 1.600 1.600 peak 150 spectrum 2 weight .10000E+01 volume .13286E-03 ppm1 -.181 ppm2 7.240 CV 1
ASSI { 151}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 9 and name HH2 ))
3.600 1.600 1.600 peak 151 spectrum 2 weight .10000E+01 volume .12594E-03 ppm1 -.178 ppm2 6.999 CV 1
ASSI { 152}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 9 and name HZ2 ))
3.600 1.600 1.600 peak 152 spectrum 2 weight .10000E+01 volume .13068E-03 ppm1 -.179 ppm2 7.441 CV 1
ASSI { 153}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 9 and name HZ3 ))
3.600 1.600 1.600 peak 153 spectrum 2 weight .10000E+01 volume .13905E-03 ppm1 -.180 ppm2 6.711 CV 1
ASSI { 154}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HD2 ))
3.500 1.500 1.500 peak 154 spectrum 2 weight .10000E+01 volume .16708E-03 ppm1 4.277 ppm2 7.031 CV 1
ASSI { 226}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 24 and name HA ))
3.200 1.200 1.200 peak 226 spectrum 2 weight .10000E+01 volume .28738E-03 ppm1 3.794 ppm2 4.276 CV 1
ASSI { 156}
(( segid " " and resid 27 and name HD3 ))
(( segid " " and resid 24 and name HD2 ))
2.600 .900 .900 peak 156 spectrum 2 weight .10000E+01 volume .87997E-03 ppm1 3.168 ppm2 7.031 CV 1
OR { 156}
(( segid " " and resid 27 and name HD2 ))
(( segid " " and resid 24 and name HD2 ))
ASSI { 157}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 9 and name HZ3 ))
3.200 1.300 1.300 peak 157 spectrum 2 weight .10000E+01 volume .27656E-03 ppm1 5.506 ppm2 6.709 CV 1
ASSI { 158}
(( segid " " and resid 29 and name HB ))
( segid " " and resid 20 and name HD% )
2.800 1.000 1.000 peak 158 spectrum 2 weight .10000E+01 volume .59064E-03 ppm1 3.910 ppm2 6.691 CV 1
ASSI { 159}
(( segid " " and resid 29 and name HB ))
( segid " " and resid 20 and name HE% )
3.500 1.500 1.500 peak 159 spectrum 2 weight .10000E+01 volume .16157E-03 ppm1 3.912 ppm2 6.278 CV 1
ASSI { 160}
( segid " " and resid 29 and name HG2%)
( segid " " and resid 20 and name HD% )
2.500 .800 .800 peak 160 spectrum 2 weight .10000E+01 volume .13029E-02 ppm1 1.033 ppm2 6.691 CV 1
ASSI { 161}
( segid " " and resid 29 and name HG2%)
( segid " " and resid 20 and name HE% )
2.600 .800 .800 peak 161 spectrum 2 weight .10000E+01 volume .10159E-02 ppm1 1.032 ppm2 6.278 CV 1
ASSI { 162}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 22 and name HA ))
2.700 .900 .900 peak 162 spectrum 2 weight .10000E+01 volume .76872E-03 ppm1 1.032 ppm2 4.877 CV 1
ASSI { 163}
( segid " " and resid 29 and name HG2%)
(( segid " " and resid 30 and name HA ))
3.600 1.600 1.600 peak 163 spectrum 2 weight .10000E+01 volume .12762E-03 ppm1 1.032 ppm2 4.843 CV 1
ASSI { 164}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 9 and name HH2 ))
3.200 1.300 1.300 peak 164 spectrum 2 weight .10000E+01 volume .24950E-03 ppm1 2.393 ppm2 7.001 CV 1
ASSI { 165}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 9 and name HZ2 ))
3.700 1.700 1.700 peak 165 spectrum 2 weight .10000E+01 volume .11908E-03 ppm1 2.390 ppm2 7.437 CV 1
ASSI { 166}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 9 and name HH2 ))
3.100 1.200 1.200 peak 166 spectrum 2 weight .10000E+01 volume .31761E-03 ppm1 2.219 ppm2 6.999 CV 1
ASSI { 167}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 9 and name HZ2 ))
3.900 1.900 1.900 peak 167 spectrum 2 weight .10000E+01 volume .75547E-04 ppm1 2.221 ppm2 7.436 CV 1
ASSI { 168}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 9 and name HZ3 ))
2.800 .900 .900 peak 168 spectrum 2 weight .10000E+01 volume .65082E-03 ppm1 2.220 ppm2 6.712 CV 1
ASSI { 169}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 21 and name HD% )
2.800 1.000 1.000 peak 169 spectrum 2 weight .10000E+01 volume .60254E-03 ppm1 4.889 ppm2 6.719 CV 1
ASSI { 170}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HD1 ))
3.400 1.500 1.500 peak 170 spectrum 2 weight .10000E+01 volume .17993E-03 ppm1 4.888 ppm2 7.365 CV 1
ASSI { 171}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HE3 ))
2.800 1.000 1.000 peak 171 spectrum 2 weight .10000E+01 volume .56625E-03 ppm1 4.898 ppm2 8.005 CV 1
ASSI { 172}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HD1 ))
2.600 .900 .900 peak 172 spectrum 2 weight .10000E+01 volume .83487E-03 ppm1 3.612 ppm2 7.365 CV 1
ASSI { 173}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HE3 ))
2.900 1.000 1.000 peak 173 spectrum 2 weight .10000E+01 volume .51065E-03 ppm1 3.612 ppm2 8.005 CV 1
ASSI { 174}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HD1 ))
2.500 .800 .800 peak 174 spectrum 2 weight .10000E+01 volume .11881E-02 ppm1 3.128 ppm2 7.365 CV 1
ASSI { 175}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HE3 ))
3.200 1.200 1.200 peak 175 spectrum 2 weight .10000E+01 volume .28245E-03 ppm1 3.129 ppm2 8.005 CV 1
ASSI { 176}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 9 and name HE3 ))
2.800 1.000 1.000 peak 176 spectrum 2 weight .10000E+01 volume .56376E-03 ppm1 2.592 ppm2 7.240 CV 1
ASSI { 177}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 21 and name HD% )
2.200 .600 .600 peak 177 spectrum 2 weight .10000E+01 volume .21785E-02 ppm1 2.593 ppm2 6.719 CV 1
ASSI { 178}
(( segid " " and resid 33 and name HB2 ))
( segid " " and resid 21 and name HD% )
2.700 .900 .900 peak 178 spectrum 2 weight .10000E+01 volume .75248E-03 ppm1 1.348 ppm2 6.721 CV 1
OR { 178}
(( segid " " and resid 33 and name HB3 ))
( segid " " and resid 21 and name HD% )
ASSI { 179}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 34 and name HD2 ))
3.400 1.400 1.400 peak 179 spectrum 2 weight .10000E+01 volume .18602E-03 ppm1 1.347 ppm2 2.422 CV 1
OR { 179}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 34 and name HD2 ))
ASSI { 180}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 34 and name HD3 ))
3.100 1.200 1.200 peak 180 spectrum 2 weight .10000E+01 volume .29415E-03 ppm1 1.347 ppm2 2.301 CV 1
OR { 180}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 34 and name HD3 ))
ASSI { 181}
(( segid " " and resid 33 and name HD2 ))
( segid " " and resid 21 and name HD% )
3.200 1.300 1.300 peak 181 spectrum 2 weight .10000E+01 volume .26779E-03 ppm1 3.017 ppm2 6.716 CV 1
OR { 181}
(( segid " " and resid 33 and name HD3 ))
( segid " " and resid 21 and name HD% )
ASSI { 182}
(( segid " " and resid 33 and name HG2 ))
( segid " " and resid 21 and name HD% )
3.200 1.300 1.300 peak 182 spectrum 2 weight .10000E+01 volume .28043E-03 ppm1 1.208 ppm2 6.721 CV 1
ASSI { 183}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 34 and name HD2 ))
3.600 1.600 1.600 peak 183 spectrum 2 weight .10000E+01 volume .13270E-03 ppm1 1.207 ppm2 2.422 CV 1
ASSI { 184}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 34 and name HD3 ))
3.200 1.300 1.300 peak 184 spectrum 2 weight .10000E+01 volume .25900E-03 ppm1 1.207 ppm2 2.299 CV 1
ASSI { 185}
(( segid " " and resid 33 and name HG3 ))
( segid " " and resid 21 and name HD% )
3.000 1.100 1.100 peak 185 spectrum 2 weight .10000E+01 volume .39255E-03 ppm1 .929 ppm2 6.721 CV 1
ASSI { 186}
(( segid " " and resid 33 and name HG3 ))
(( segid " " and resid 34 and name HD2 ))
3.400 1.400 1.400 peak 186 spectrum 2 weight .10000E+01 volume .18659E-03 ppm1 .930 ppm2 2.422 CV 1
ASSI { 187}
(( segid " " and resid 33 and name HG3 ))
(( segid " " and resid 34 and name HD3 ))
3.100 1.200 1.200 peak 187 spectrum 2 weight .10000E+01 volume .33572E-03 ppm1 .930 ppm2 2.299 CV 1
ASSI { 188}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 6 and name HD2 ))
3.400 1.400 1.400 peak 188 spectrum 2 weight .10000E+01 volume .18225E-03 ppm1 .799 ppm2 3.430 CV 1
ASSI { 189}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 6 and name HD3 ))
3.300 1.400 1.400 peak 189 spectrum 2 weight .10000E+01 volume .20080E-03 ppm1 .799 ppm2 2.782 CV 1
ASSI { 190}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 9 and name HH2 ))
3.700 1.700 1.700 peak 190 spectrum 2 weight .10000E+01 volume .10953E-03 ppm1 .783 ppm2 7.003 CV 1
ASSI { 191}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 9 and name HZ2 ))
3.500 1.500 1.500 peak 191 spectrum 2 weight .10000E+01 volume .15738E-03 ppm1 .787 ppm2 7.441 CV 1
ASSI { 192}
(( segid " " and resid 34 and name HD2 ))
(( segid " " and resid 9 and name HE3 ))
3.400 1.400 1.400 peak 192 spectrum 2 weight .10000E+01 volume .19415E-03 ppm1 2.411 ppm2 7.240 CV 1
ASSI { 193}
(( segid " " and resid 34 and name HD2 ))
(( segid " " and resid 21 and name HB2 ))
3.200 1.200 1.200 peak 193 spectrum 2 weight .10000E+01 volume .28314E-03 ppm1 2.415 ppm2 2.928 CV 1
ASSI { 194}
(( segid " " and resid 34 and name HD2 ))
( segid " " and resid 21 and name HD% )
2.600 .800 .800 peak 194 spectrum 2 weight .10000E+01 volume .99292E-03 ppm1 2.414 ppm2 6.719 CV 1
ASSI { 195}
(( segid " " and resid 34 and name HD3 ))
(( segid " " and resid 9 and name HE3 ))
3.600 1.700 1.700 peak 195 spectrum 2 weight .10000E+01 volume .12169E-03 ppm1 2.299 ppm2 7.240 CV 1
ASSI { 196}
(( segid " " and resid 34 and name HD3 ))
(( segid " " and resid 21 and name HB2 ))
3.700 1.700 1.700 peak 196 spectrum 2 weight .10000E+01 volume .10511E-03 ppm1 2.299 ppm2 2.927 CV 1
ASSI { 197}
(( segid " " and resid 34 and name HD3 ))
( segid " " and resid 21 and name HD% )
2.900 1.100 1.100 peak 197 spectrum 2 weight .10000E+01 volume .43386E-03 ppm1 2.298 ppm2 6.719 CV 1
ASSI { 198}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 31 and name HE3 ))
3.800 1.800 1.800 peak 198 spectrum 2 weight .10000E+01 volume .88432E-04 ppm1 2.301 ppm2 8.007 CV 1
OR { 198}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 31 and name HE3 ))
ASSI { 199}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 6 and name HD2 ))
3.300 1.400 1.400 peak 199 spectrum 2 weight .10000E+01 volume .20110E-03 ppm1 .588 ppm2 3.430 CV 1
ASSI { 200}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 6 and name HD3 ))
3.300 1.300 1.300 peak 200 spectrum 2 weight .10000E+01 volume .23275E-03 ppm1 .588 ppm2 2.782 CV 1
ASSI { 201}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 9 and name HD1 ))
3.900 1.900 1.900 peak 201 spectrum 2 weight .10000E+01 volume .78504E-04 ppm1 .581 ppm2 6.971 CV 1
ASSI { 202}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 9 and name HE3 ))
3.700 1.800 1.800 peak 202 spectrum 2 weight .10000E+01 volume .10158E-03 ppm1 .579 ppm2 7.242 CV 1
ASSI { 203}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 9 and name HZ3 ))
3.700 1.700 1.700 peak 203 spectrum 2 weight .10000E+01 volume .11795E-03 ppm1 .573 ppm2 6.711 CV 1
ASSI { 204}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 33 and name HA ))
3.700 1.700 1.700 peak 204 spectrum 2 weight .10000E+01 volume .10431E-03 ppm1 .586 ppm2 2.624 CV 1
ASSI { 205}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 9 and name HD1 ))
3.900 1.900 1.900 peak 205 spectrum 2 weight .10000E+01 volume .78335E-04 ppm1 -.038 ppm2 6.968 CV 1
ASSI { 206}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 9 and name HE3 ))
3.400 1.500 1.500 peak 206 spectrum 2 weight .10000E+01 volume .17944E-03 ppm1 -.048 ppm2 7.240 CV 1
ASSI { 207}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 9 and name HZ2 ))
4.100 2.100 1.900 peak 207 spectrum 2 weight .10000E+01 volume .61846E-04 ppm1 -.050 ppm2 7.439 CV 1
ASSI { 208}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 9 and name HZ3 ))
3.500 1.500 1.500 peak 208 spectrum 2 weight .10000E+01 volume .16352E-03 ppm1 -.048 ppm2 6.711 CV 1
ASSI { 209}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 33 and name HA ))
3.700 1.700 1.700 peak 209 spectrum 2 weight .10000E+01 volume .10838E-03 ppm1 -.049 ppm2 2.624 CV 1
ASSI { 304}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.700 .900 .900 peak 304 spectrum 1 weight .10000E+01 volume .22322E-02 ppm1 4.918 ppm2 9.121 CV 1
OR { 304}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 14 and name HN ))
ASSI { 306}
( segid " " and resid 20 and name HD% )
(( segid " " and resid 21 and name HN ))
2.300 .700 .700 peak 306 spectrum 1 weight .10000E+01 volume .58090E-02 ppm1 6.697 ppm2 8.588 CV 1
OR { 306}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 21 and name HN ))
ASSI { 308}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
2.700 .900 .900 peak 308 spectrum 1 weight .10000E+01 volume .24409E-02 ppm1 4.885 ppm2 7.729 CV 1
OR { 308}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
ASSI { 310}
(( segid " " and resid 9 and name HZ3 ))
(( segid " " and resid 9 and name HE3 ))
2.200 .600 .600 peak 310 spectrum 1 weight .10000E+01 volume .69720E-02 ppm1 6.683 ppm2 7.233 CV 1
OR { 310}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 9 and name HE3 ))
ASSI { 213}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 24 and name HE1 ))
3.400 1.500 1.500 peak 213 spectrum 2 weight .10000E+01 volume .17077E-03 ppm1 1.918 ppm2 8.275 CV 1
OR { 213}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 24 and name HE1 ))
OR { 213}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 24 and name HE1 ))
ASSI { 215}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 24 and name HD2 ))
2.500 .800 .800 peak 215 spectrum 2 weight .10000E+01 volume .10638E-02 ppm1 1.919 ppm2 7.030 CV 1
OR { 215}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 24 and name HD2 ))
OR { 215}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 24 and name HD2 ))
ASSI { 217}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 6 and name HD3 ))
2.900 1.000 1.000 peak 217 spectrum 2 weight .10000E+01 volume .50484E-03 ppm1 .692 ppm2 2.779 CV 1
OR { 217}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 12 and name HE3 ))
ASSI { 219}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 9 and name HB3 ))
3.100 1.200 1.200 peak 219 spectrum 2 weight .10000E+01 volume .32976E-03 ppm1 .695 ppm2 2.920 CV 1
OR { 219}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 12 and name HE2 ))
ASSI { 221}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 11 and name HB3 ))
3.000 1.100 1.100 peak 221 spectrum 2 weight .10000E+01 volume .39558E-03 ppm1 .693 ppm2 1.918 CV 1
OR { 221}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 11 and name HB2 ))
OR { 221}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 10 and name HB3 ))
OR { 221}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 10 and name HB2 ))
ASSI { 223}
(( segid " " and resid 34 and name HD3 ))
(( segid " " and resid 33 and name HA ))
2.600 .900 .900 peak 223 spectrum 2 weight .10000E+01 volume .84147E-03 ppm1 2.299 ppm2 2.614 CV 1
OR { 223}
(( segid " " and resid 34 and name HD3 ))
(( segid " " and resid 21 and name HB3 ))
ASSI { 225}
(( segid " " and resid 34 and name HD2 ))
(( segid " " and resid 33 and name HA ))
2.500 .800 .800 peak 225 spectrum 2 weight .10000E+01 volume .12485E-02 ppm1 2.414 ppm2 2.614 CV 1
OR { 225}
(( segid " " and resid 34 and name HD2 ))
(( segid " " and resid 21 and name HB3 ))
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