NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
14379 |
1wlx   |
6013 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
! unambiguous
ASSI { 3}
(( segid " " and resid 3 and name HA ))
( segid " " and resid 3 and name HG2%)
2.100 .500 .500 peak 3 spectrum 1 weight .10000E+01 volume .11789E-01 ppm1 4.284 ppm2 1.233 CV 1
ASSI { 4}
(( segid " " and resid 6 and name HA ))
( segid " " and resid 9 and name HB% )
2.300 .700 .700 peak 4 spectrum 1 weight .10000E+01 volume .62957E-02 ppm1 4.209 ppm2 1.528 CV 1
ASSI { 5}
(( segid " " and resid 6 and name HE22))
(( segid " " and resid 6 and name HE21))
2.000 .500 .500 peak 5 spectrum 1 weight .10000E+01 volume .16294E-01 ppm1 6.581 ppm2 7.169 CV 1
ASSI { 7}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 10 and name HD1%)
2.400 .700 .700 peak 7 spectrum 1 weight .10000E+01 volume .47938E-02 ppm1 3.348 ppm2 .478 CV 1
ASSI { 8}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 10 and name HG2%)
2.500 .800 .800 peak 8 spectrum 1 weight .10000E+01 volume .43394E-02 ppm1 3.350 ppm2 .789 CV 1
ASSI { 9}
(( segid " " and resid 10 and name HB ))
( segid " " and resid 10 and name HD1%)
2.200 .600 .600 peak 9 spectrum 1 weight .10000E+01 volume .83065E-02 ppm1 1.785 ppm2 .476 CV 1
ASSI { 10}
(( segid " " and resid 10 and name HB ))
( segid " " and resid 10 and name HG2%)
2.100 .500 .500 peak 10 spectrum 1 weight .10000E+01 volume .12041E-01 ppm1 1.785 ppm2 .785 CV 1
ASSI { 11}
( segid " " and resid 10 and name HD1%)
(( segid " " and resid 14 and name HD2 ))
3.100 1.200 1.200 peak 11 spectrum 1 weight .10000E+01 volume .11129E-02 ppm1 .484 ppm2 6.788 CV 1
ASSI { 13}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 10 and name HD1%)
3.000 1.100 1.100 peak 13 spectrum 1 weight .10000E+01 volume .12908E-02 ppm1 4.573 ppm2 .475 CV 1
ASSI { 424}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 15 and name HD1%)
2.800 1.000 1.000 peak 424 spectrum 1 weight .10000E+01 volume .21043E-02 ppm1 4.050 ppm2 .459 CV 1
OR { 424}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 15 and name HD2%)
ASSI { 15}
(( segid " " and resid 12 and name HE22))
(( segid " " and resid 12 and name HE21))
1.700 .400 .500 peak 15 spectrum 1 weight .10000E+01 volume .43037E-01 ppm1 6.762 ppm2 7.661 CV 1
ASSI { 16}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HD2 ))
2.400 .700 .700 peak 16 spectrum 1 weight .10000E+01 volume .47132E-02 ppm1 4.561 ppm2 6.790 CV 1
ASSI { 17}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HD2 ))
3.300 1.300 1.300 peak 17 spectrum 1 weight .10000E+01 volume .79306E-03 ppm1 3.876 ppm2 6.790 CV 1
ASSI { 18}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 95 and name HD% )
2.600 .900 .900 peak 18 spectrum 1 weight .10000E+01 volume .30166E-02 ppm1 3.872 ppm2 7.043 CV 1
ASSI { 19}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 95 and name HE% )
2.700 .900 .900 peak 19 spectrum 1 weight .10000E+01 volume .25213E-02 ppm1 3.871 ppm2 6.954 CV 1
ASSI { 20}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HD2 ))
2.900 1.000 1.000 peak 20 spectrum 1 weight .10000E+01 volume .17522E-02 ppm1 3.350 ppm2 6.791 CV 1
ASSI { 21}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 95 and name HD% )
2.700 .900 .900 peak 21 spectrum 1 weight .10000E+01 volume .23601E-02 ppm1 3.348 ppm2 7.041 CV 1
ASSI { 22}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 95 and name HE% )
2.900 1.000 1.000 peak 22 spectrum 1 weight .10000E+01 volume .16683E-02 ppm1 3.348 ppm2 6.956 CV 1
ASSI { 23}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 15 and name HD2%)
2.400 .700 .700 peak 23 spectrum 1 weight .10000E+01 volume .45350E-02 ppm1 3.897 ppm2 .461 CV 1
OR { 23}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 15 and name HD1%)
ASSI { 24}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 95 and name HD% )
2.600 .900 .900 peak 24 spectrum 1 weight .10000E+01 volume .30166E-02 ppm1 3.883 ppm2 7.043 CV 1
ASSI { 25}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 95 and name HE% )
2.700 .900 .900 peak 25 spectrum 1 weight .10000E+01 volume .25213E-02 ppm1 3.883 ppm2 6.955 CV 1
ASSI { 27}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 95 and name HE% )
3.100 1.200 1.200 peak 27 spectrum 1 weight .10000E+01 volume .10640E-02 ppm1 1.486 ppm2 6.955 CV 1
ASSI { 28}
( segid " " and resid 15 and name HD2%)
( segid " " and resid 95 and name HD% )
2.400 .700 .700 peak 28 spectrum 1 weight .10000E+01 volume .50767E-02 ppm1 .459 ppm2 7.044 CV 1
OR { 28}
( segid " " and resid 15 and name HD1%)
( segid " " and resid 95 and name HD% )
ASSI { 31}
(( segid " " and resid 15 and name HG ))
( segid " " and resid 95 and name HE% )
3.000 1.100 1.100 peak 31 spectrum 1 weight .10000E+01 volume .14525E-02 ppm1 1.370 ppm2 6.955 CV 1
ASSI { 32}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 74 and name HG2%)
2.600 .800 .800 peak 32 spectrum 1 weight .10000E+01 volume .32956E-02 ppm1 2.151 ppm2 1.193 CV 1
ASSI { 33}
(( segid " " and resid 16 and name HG2 ))
( segid " " and resid 74 and name HG2%)
2.700 .900 .900 peak 33 spectrum 1 weight .10000E+01 volume .22391E-02 ppm1 2.384 ppm2 1.192 CV 1
OR { 33}
(( segid " " and resid 16 and name HG3 ))
( segid " " and resid 74 and name HG2%)
ASSI { 34}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 71 and name HG2%)
2.900 1.000 1.000 peak 34 spectrum 1 weight .10000E+01 volume .16313E-02 ppm1 3.923 ppm2 .559 CV 1
ASSI { 35}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 14 and name HD2 ))
2.900 1.000 1.000 peak 35 spectrum 1 weight .10000E+01 volume .17522E-02 ppm1 3.337 ppm2 6.790 CV 1
ASSI { 36}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 17 and name HD% )
2.600 .800 .800 peak 36 spectrum 1 weight .10000E+01 volume .31576E-02 ppm1 3.339 ppm2 7.153 CV 1
ASSI { 37}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 71 and name HG2%)
3.400 1.400 1.400 peak 37 spectrum 1 weight .10000E+01 volume .62526E-03 ppm1 3.350 ppm2 .558 CV 1
ASSI { 38}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 74 and name HG2%)
2.700 .900 .900 peak 38 spectrum 1 weight .10000E+01 volume .24966E-02 ppm1 3.348 ppm2 1.193 CV 1
ASSI { 39}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 14 and name HD2 ))
3.600 1.600 1.600 peak 39 spectrum 1 weight .10000E+01 volume .45774E-03 ppm1 3.195 ppm2 6.791 CV 1
ASSI { 40}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 17 and name HD% )
2.700 .900 .900 peak 40 spectrum 1 weight .10000E+01 volume .25356E-02 ppm1 3.193 ppm2 7.152 CV 1
ASSI { 41}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 74 and name HG2%)
2.700 .900 .900 peak 41 spectrum 1 weight .10000E+01 volume .25336E-02 ppm1 3.194 ppm2 1.193 CV 1
ASSI { 42}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 78 and name HB% )
3.100 1.200 1.200 peak 42 spectrum 1 weight .10000E+01 volume .10032E-02 ppm1 3.197 ppm2 1.306 CV 1
ASSI { 43}
( segid " " and resid 17 and name HE% )
( segid " " and resid 17 and name HD% )
2.300 .700 .700 peak 43 spectrum 1 weight .10000E+01 volume .59774E-02 ppm1 6.709 ppm2 7.152 CV 1
ASSI { 44}
( segid " " and resid 17 and name HE% )
(( segid " " and resid 75 and name HD2 ))
3.200 1.200 1.200 peak 44 spectrum 1 weight .10000E+01 volume .97068E-03 ppm1 6.711 ppm2 6.551 CV 1
ASSI { 45}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 96 and name HG2%)
2.400 .700 .700 peak 45 spectrum 1 weight .10000E+01 volume .51308E-02 ppm1 3.934 ppm2 1.254 CV 1
ASSI { 46}
( segid " " and resid 18 and name HB% )
( segid " " and resid 17 and name HE% )
3.100 1.200 1.200 peak 46 spectrum 1 weight .10000E+01 volume .11907E-02 ppm1 1.710 ppm2 6.710 CV 1
ASSI { 47}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 22 and name HB% )
2.300 .700 .700 peak 47 spectrum 1 weight .10000E+01 volume .65935E-02 ppm1 4.029 ppm2 1.647 CV 1
ASSI { 48}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 17 and name HD% )
2.500 .800 .800 peak 48 spectrum 1 weight .10000E+01 volume .40227E-02 ppm1 3.936 ppm2 7.155 CV 1
ASSI { 50}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 21 and name HB% )
2.100 .500 .500 peak 50 spectrum 1 weight .10000E+01 volume .12079E-01 ppm1 3.950 ppm2 .924 CV 1
ASSI { 51}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 24 and name HD% )
2.500 .800 .800 peak 51 spectrum 1 weight .10000E+01 volume .40227E-02 ppm1 3.936 ppm2 7.155 CV 1
ASSI { 52}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 71 and name HD1%)
2.800 1.000 1.000 peak 52 spectrum 1 weight .10000E+01 volume .18278E-02 ppm1 3.949 ppm2 .395 CV 1
ASSI { 53}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 71 and name HG2%)
2.700 .900 .900 peak 53 spectrum 1 weight .10000E+01 volume .23538E-02 ppm1 3.949 ppm2 .559 CV 1
ASSI { 54}
( segid " " and resid 21 and name HB% )
( segid " " and resid 17 and name HE% )
2.500 .800 .800 peak 54 spectrum 1 weight .10000E+01 volume .37898E-02 ppm1 .927 ppm2 6.710 CV 1
ASSI { 55}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 22 and name HB% )
2.100 .600 .600 peak 55 spectrum 1 weight .10000E+01 volume .10861E-01 ppm1 4.393 ppm2 1.650 CV 1
ASSI { 56}
(( segid " " and resid 23 and name HD2 ))
( segid " " and resid 22 and name HB% )
2.300 .700 .700 peak 56 spectrum 1 weight .10000E+01 volume .60031E-02 ppm1 3.766 ppm2 1.651 CV 1
ASSI { 57}
(( segid " " and resid 23 and name HD3 ))
( segid " " and resid 22 and name HB% )
2.200 .600 .600 peak 57 spectrum 1 weight .10000E+01 volume .74657E-02 ppm1 3.638 ppm2 1.651 CV 1
ASSI { 58}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HD% )
2.500 .800 .800 peak 58 spectrum 1 weight .10000E+01 volume .37585E-02 ppm1 4.600 ppm2 7.153 CV 1
ASSI { 59}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HE% )
3.000 1.100 1.100 peak 59 spectrum 1 weight .10000E+01 volume .13541E-02 ppm1 4.601 ppm2 7.192 CV 1
ASSI { 60}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HD1 ))
3.000 1.100 1.100 peak 60 spectrum 1 weight .10000E+01 volume .12755E-02 ppm1 4.605 ppm2 7.406 CV 1
ASSI { 61}
(( segid " " and resid 24 and name HB2 ))
( segid " " and resid 24 and name HD% )
2.400 .700 .700 peak 61 spectrum 1 weight .10000E+01 volume .49020E-02 ppm1 3.427 ppm2 7.152 CV 1
ASSI { 62}
(( segid " " and resid 24 and name HB2 ))
( segid " " and resid 24 and name HE% )
3.000 1.100 1.100 peak 62 spectrum 1 weight .10000E+01 volume .14324E-02 ppm1 3.428 ppm2 7.192 CV 1
ASSI { 63}
(( segid " " and resid 24 and name HB2 ))
( segid " " and resid 71 and name HD1%)
2.600 .900 .900 peak 63 spectrum 1 weight .10000E+01 volume .28561E-02 ppm1 3.426 ppm2 .396 CV 1
ASSI { 64}
(( segid " " and resid 24 and name HB3 ))
( segid " " and resid 24 and name HD% )
2.600 .900 .900 peak 64 spectrum 1 weight .10000E+01 volume .29932E-02 ppm1 2.881 ppm2 7.152 CV 1
ASSI { 65}
(( segid " " and resid 24 and name HB3 ))
( segid " " and resid 24 and name HE% )
3.200 1.200 1.200 peak 65 spectrum 1 weight .10000E+01 volume .98207E-03 ppm1 2.880 ppm2 7.192 CV 1
ASSI { 66}
(( segid " " and resid 24 and name HB3 ))
( segid " " and resid 71 and name HD1%)
3.200 1.300 1.300 peak 66 spectrum 1 weight .10000E+01 volume .86586E-03 ppm1 2.878 ppm2 .395 CV 1
ASSI { 67}
(( segid " " and resid 25 and name HD22))
(( segid " " and resid 25 and name HD21))
2.500 .800 .800 peak 67 spectrum 1 weight .10000E+01 volume .41672E-02 ppm1 6.886 ppm2 7.703 CV 1
ASSI { 69}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HD1 ))
2.400 .700 .700 peak 69 spectrum 1 weight .10000E+01 volume .46554E-02 ppm1 4.176 ppm2 7.407 CV 1
ASSI { 70}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HE3 ))
3.400 1.500 1.500 peak 70 spectrum 1 weight .10000E+01 volume .61381E-03 ppm1 4.184 ppm2 7.096 CV 1
ASSI { 71}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HD1 ))
2.400 .700 .700 peak 71 spectrum 1 weight .10000E+01 volume .45564E-02 ppm1 3.636 ppm2 7.406 CV 1
ASSI { 73}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HD1 ))
2.400 .700 .700 peak 73 spectrum 1 weight .10000E+01 volume .53670E-02 ppm1 3.401 ppm2 7.407 CV 1
ASSI { 78}
(( segid " " and resid 27 and name HZ2 ))
(( segid " " and resid 27 and name HH2 ))
2.300 .700 .700 peak 78 spectrum 1 weight .10000E+01 volume .61246E-02 ppm1 7.361 ppm2 7.015 CV 1
ASSI { 80}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 27 and name HE3 ))
2.800 1.000 1.000 peak 80 spectrum 1 weight .10000E+01 volume .19127E-02 ppm1 3.298 ppm2 7.095 CV 1
ASSI { 81}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 31 and name HB% )
2.500 .800 .800 peak 81 spectrum 1 weight .10000E+01 volume .36980E-02 ppm1 3.302 ppm2 .754 CV 1
ASSI { 83}
(( segid " " and resid 28 and name HG3 ))
( segid " " and resid 24 and name HD% )
2.600 .800 .800 peak 83 spectrum 1 weight .10000E+01 volume .31627E-02 ppm1 2.229 ppm2 7.153 CV 1
ASSI { 84}
(( segid " " and resid 28 and name HG3 ))
( segid " " and resid 24 and name HE% )
3.300 1.400 1.400 peak 84 spectrum 1 weight .10000E+01 volume .71965E-03 ppm1 2.229 ppm2 7.191 CV 1
ASSI { 85}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 27 and name HE3 ))
3.000 1.100 1.100 peak 85 spectrum 1 weight .10000E+01 volume .14362E-02 ppm1 2.229 ppm2 7.098 CV 1
ASSI { 86}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 27 and name HD1 ))
3.000 1.200 1.200 peak 86 spectrum 1 weight .10000E+01 volume .12313E-02 ppm1 3.870 ppm2 7.407 CV 1
OR { 86}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 27 and name HD1 ))
ASSI { 87}
( segid " " and resid 31 and name HB% )
(( segid " " and resid 27 and name HE3 ))
3.400 1.400 1.400 peak 87 spectrum 1 weight .10000E+01 volume .62732E-03 ppm1 .745 ppm2 7.100 CV 1
ASSI { 88}
( segid " " and resid 31 and name HB% )
(( segid " " and resid 27 and name HZ2 ))
3.000 1.100 1.100 peak 88 spectrum 1 weight .10000E+01 volume .14369E-02 ppm1 .745 ppm2 7.361 CV 1
ASSI { 89}
( segid " " and resid 31 and name HB% )
( segid " " and resid 57 and name HE% )
2.500 .800 .800 peak 89 spectrum 1 weight .10000E+01 volume .39058E-02 ppm1 .744 ppm2 7.178 CV 1
ASSI { 90}
( segid " " and resid 31 and name HB% )
(( segid " " and resid 57 and name HZ ))
2.500 .800 .800 peak 90 spectrum 1 weight .10000E+01 volume .37248E-02 ppm1 .744 ppm2 6.815 CV 1
ASSI { 91}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 35 and name HD2%)
2.900 1.100 1.100 peak 91 spectrum 1 weight .10000E+01 volume .15435E-02 ppm1 3.601 ppm2 .654 CV 1
ASSI { 92}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 35 and name HD1%)
2.300 .700 .700 peak 92 spectrum 1 weight .10000E+01 volume .60475E-02 ppm1 3.845 ppm2 .720 CV 1
ASSI { 93}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 35 and name HD2%)
2.800 1.000 1.000 peak 93 spectrum 1 weight .10000E+01 volume .18704E-02 ppm1 3.844 ppm2 .654 CV 1
ASSI { 94}
( segid " " and resid 35 and name HD1%)
(( segid " " and resid 54 and name HE1 ))
2.400 .700 .700 peak 94 spectrum 1 weight .10000E+01 volume .46292E-02 ppm1 .718 ppm2 7.436 CV 1
ASSI { 95}
( segid " " and resid 35 and name HD1%)
( segid " " and resid 57 and name HD% )
2.800 1.000 1.000 peak 95 spectrum 1 weight .10000E+01 volume .21435E-02 ppm1 .719 ppm2 7.283 CV 1
ASSI { 96}
( segid " " and resid 35 and name HD1%)
( segid " " and resid 57 and name HE% )
2.800 1.000 1.000 peak 96 spectrum 1 weight .10000E+01 volume .20998E-02 ppm1 .719 ppm2 7.177 CV 1
ASSI { 98}
( segid " " and resid 35 and name HD2%)
( segid " " and resid 57 and name HD% )
2.800 1.000 1.000 peak 98 spectrum 1 weight .10000E+01 volume .18904E-02 ppm1 .641 ppm2 7.283 CV 1
ASSI { 99}
(( segid " " and resid 35 and name HG ))
( segid " " and resid 35 and name HD1%)
2.600 .800 .800 peak 99 spectrum 1 weight .10000E+01 volume .33350E-02 ppm1 1.291 ppm2 .719 CV 1
ASSI { 100}
(( segid " " and resid 35 and name HG ))
( segid " " and resid 35 and name HD2%)
2.400 .700 .700 peak 100 spectrum 1 weight .10000E+01 volume .55382E-02 ppm1 1.290 ppm2 .654 CV 1
ASSI { 101}
(( segid " " and resid 35 and name HG ))
( segid " " and resid 110 and name HG2%)
2.500 .800 .800 peak 101 spectrum 1 weight .10000E+01 volume .43440E-02 ppm1 1.290 ppm2 .634 CV 1
ASSI { 102}
(( segid " " and resid 36 and name HE22))
(( segid " " and resid 36 and name HE21))
1.900 .400 .400 peak 102 spectrum 1 weight .10000E+01 volume .20828E-01 ppm1 6.814 ppm2 7.170 CV 1
ASSI { 103}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 39 and name HD% )
2.900 1.000 1.000 peak 103 spectrum 1 weight .10000E+01 volume .17450E-02 ppm1 4.289 ppm2 7.029 CV 1
ASSI { 104}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 39 and name HD% )
2.600 .800 .800 peak 104 spectrum 1 weight .10000E+01 volume .32808E-02 ppm1 4.679 ppm2 7.029 CV 1
ASSI { 105}
(( segid " " and resid 39 and name HB2 ))
( segid " " and resid 39 and name HD% )
2.400 .700 .700 peak 105 spectrum 1 weight .10000E+01 volume .51894E-02 ppm1 3.062 ppm2 7.029 CV 1
ASSI { 106}
(( segid " " and resid 39 and name HB2 ))
( segid " " and resid 39 and name HE% )
2.600 .900 .900 peak 106 spectrum 1 weight .10000E+01 volume .28155E-02 ppm1 3.062 ppm2 7.133 CV 1
ASSI { 107}
(( segid " " and resid 39 and name HB2 ))
( segid " " and resid 121 and name HD2%)
3.100 1.200 1.200 peak 107 spectrum 1 weight .10000E+01 volume .11842E-02 ppm1 3.061 ppm2 .452 CV 1
ASSI { 108}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 39 and name HD% )
2.500 .800 .800 peak 108 spectrum 1 weight .10000E+01 volume .44019E-02 ppm1 2.880 ppm2 7.029 CV 1
ASSI { 109}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 50 and name HD2%)
2.500 .800 .800 peak 109 spectrum 1 weight .10000E+01 volume .41390E-02 ppm1 2.884 ppm2 .474 CV 1
ASSI { 110}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 121 and name HD2%)
2.700 .900 .900 peak 110 spectrum 1 weight .10000E+01 volume .22785E-02 ppm1 2.884 ppm2 .452 CV 1
ASSI { 111}
( segid " " and resid 39 and name HD% )
( segid " " and resid 39 and name HE% )
1.800 .400 .400 peak 111 spectrum 1 weight .10000E+01 volume .28223E-01 ppm1 7.028 ppm2 7.129 CV 1
ASSI { 112}
(( segid " " and resid 40 and name HA ))
( segid " " and resid 39 and name HD% )
3.300 1.300 1.300 peak 112 spectrum 1 weight .10000E+01 volume .79754E-03 ppm1 4.134 ppm2 7.031 CV 1
ASSI { 113}
(( segid " " and resid 40 and name HA ))
( segid " " and resid 40 and name HG2%)
2.400 .700 .700 peak 113 spectrum 1 weight .10000E+01 volume .52935E-02 ppm1 4.131 ppm2 .662 CV 1
ASSI { 114}
(( segid " " and resid 40 and name HB ))
( segid " " and resid 40 and name HD1%)
2.300 .700 .700 peak 114 spectrum 1 weight .10000E+01 volume .58710E-02 ppm1 1.695 ppm2 .829 CV 1
ASSI { 115}
(( segid " " and resid 40 and name HB ))
( segid " " and resid 40 and name HG2%)
2.300 .600 .600 peak 115 spectrum 1 weight .10000E+01 volume .72979E-02 ppm1 1.695 ppm2 .663 CV 1
ASSI { 116}
(( segid " " and resid 40 and name HG12))
( segid " " and resid 40 and name HG2%)
2.400 .700 .700 peak 116 spectrum 1 weight .10000E+01 volume .53840E-02 ppm1 1.337 ppm2 .660 CV 1
ASSI { 117}
(( segid " " and resid 40 and name HG13))
( segid " " and resid 40 and name HG2%)
2.600 .800 .800 peak 117 spectrum 1 weight .10000E+01 volume .31859E-02 ppm1 1.021 ppm2 .662 CV 1
ASSI { 118}
( segid " " and resid 40 and name HG2%)
(( segid " " and resid 42 and name HE1 ))
2.700 .900 .900 peak 118 spectrum 1 weight .10000E+01 volume .25679E-02 ppm1 .666 ppm2 8.325 CV 1
ASSI { 119}
(( segid " " and resid 41 and name HB ))
( segid " " and resid 50 and name HD2%)
2.800 1.000 1.000 peak 119 spectrum 1 weight .10000E+01 volume .20520E-02 ppm1 2.050 ppm2 .474 CV 1
ASSI { 120}
( segid " " and resid 41 and name HG1%)
( segid " " and resid 39 and name HD% )
2.200 .600 .600 peak 120 spectrum 1 weight .10000E+01 volume .77667E-02 ppm1 .849 ppm2 7.028 CV 1
OR { 120}
( segid " " and resid 41 and name HG2%)
( segid " " and resid 39 and name HD% )
ASSI { 121}
( segid " " and resid 41 and name HG1%)
( segid " " and resid 39 and name HE% )
2.600 .800 .800 peak 121 spectrum 1 weight .10000E+01 volume .31442E-02 ppm1 .849 ppm2 7.130 CV 1
OR { 121}
( segid " " and resid 41 and name HG2%)
( segid " " and resid 39 and name HE% )
ASSI { 122}
( segid " " and resid 41 and name HG1%)
( segid " " and resid 50 and name HD2%)
2.400 .700 .700 peak 122 spectrum 1 weight .10000E+01 volume .54723E-02 ppm1 .850 ppm2 .475 CV 1
OR { 122}
( segid " " and resid 41 and name HG2%)
( segid " " and resid 50 and name HD2%)
ASSI { 123}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HD2 ))
2.600 .900 .900 peak 123 spectrum 1 weight .10000E+01 volume .28568E-02 ppm1 4.893 ppm2 7.290 CV 1
ASSI { 125}
(( segid " " and resid 42 and name HB2 ))
( segid " " and resid 43 and name HG2%)
2.800 1.000 1.000 peak 125 spectrum 1 weight .10000E+01 volume .20599E-02 ppm1 3.423 ppm2 1.233 CV 1
ASSI { 126}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 42 and name HD2 ))
2.800 1.000 1.000 peak 126 spectrum 1 weight .10000E+01 volume .18280E-02 ppm1 3.128 ppm2 7.291 CV 1
ASSI { 127}
(( segid " " and resid 42 and name HB3 ))
( segid " " and resid 43 and name HG2%)
2.700 .900 .900 peak 127 spectrum 1 weight .10000E+01 volume .22456E-02 ppm1 3.140 ppm2 1.233 CV 1
ASSI { 128}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 43 and name HG2%)
2.200 .600 .600 peak 128 spectrum 1 weight .10000E+01 volume .79463E-02 ppm1 4.834 ppm2 1.235 CV 1
ASSI { 129}
(( segid " " and resid 43 and name HB ))
( segid " " and resid 43 and name HG2%)
2.500 .800 .800 peak 129 spectrum 1 weight .10000E+01 volume .41120E-02 ppm1 4.681 ppm2 1.233 CV 1
ASSI { 130}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 50 and name HD1%)
3.200 1.300 1.300 peak 130 spectrum 1 weight .10000E+01 volume .87090E-03 ppm1 3.947 ppm2 .688 CV 1
ASSI { 131}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 50 and name HD1%)
2.200 .600 .600 peak 131 spectrum 1 weight .10000E+01 volume .82179E-02 ppm1 4.157 ppm2 .689 CV 1
ASSI { 132}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 50 and name HD2%)
2.600 .900 .900 peak 132 spectrum 1 weight .10000E+01 volume .28786E-02 ppm1 4.155 ppm2 .478 CV 1
ASSI { 133}
(( segid " " and resid 50 and name HB2 ))
( segid " " and resid 50 and name HD1%)
3.100 1.200 1.200 peak 133 spectrum 1 weight .10000E+01 volume .10708E-02 ppm1 1.868 ppm2 .689 CV 1
ASSI { 134}
(( segid " " and resid 50 and name HB2 ))
( segid " " and resid 50 and name HD2%)
2.500 .800 .800 peak 134 spectrum 1 weight .10000E+01 volume .43082E-02 ppm1 1.868 ppm2 .474 CV 1
ASSI { 135}
(( segid " " and resid 50 and name HB3 ))
( segid " " and resid 50 and name HD1%)
2.300 .700 .700 peak 135 spectrum 1 weight .10000E+01 volume .68212E-02 ppm1 1.712 ppm2 .689 CV 1
ASSI { 136}
(( segid " " and resid 50 and name HB3 ))
( segid " " and resid 50 and name HD2%)
2.200 .600 .600 peak 136 spectrum 1 weight .10000E+01 volume .86196E-02 ppm1 1.712 ppm2 .474 CV 1
ASSI { 137}
( segid " " and resid 50 and name HD1%)
( segid " " and resid 39 and name HD% )
3.100 1.200 1.200 peak 137 spectrum 1 weight .10000E+01 volume .10688E-02 ppm1 .685 ppm2 7.029 CV 1
ASSI { 138}
( segid " " and resid 50 and name HD2%)
( segid " " and resid 39 and name HD% )
2.400 .700 .700 peak 138 spectrum 1 weight .10000E+01 volume .49476E-02 ppm1 .469 ppm2 7.029 CV 1
ASSI { 139}
(( segid " " and resid 50 and name HG ))
( segid " " and resid 50 and name HD1%)
2.800 1.000 1.000 peak 139 spectrum 1 weight .10000E+01 volume .19443E-02 ppm1 1.266 ppm2 .689 CV 1
ASSI { 140}
(( segid " " and resid 50 and name HG ))
( segid " " and resid 50 and name HD2%)
2.500 .800 .800 peak 140 spectrum 1 weight .10000E+01 volume .44027E-02 ppm1 1.266 ppm2 .474 CV 1
ASSI { 141}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 51 and name HG2%)
2.200 .600 .600 peak 141 spectrum 1 weight .10000E+01 volume .79900E-02 ppm1 3.740 ppm2 .971 CV 1
ASSI { 142}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 54 and name HD2 ))
3.000 1.100 1.100 peak 142 spectrum 1 weight .10000E+01 volume .12859E-02 ppm1 3.741 ppm2 7.364 CV 1
ASSI { 143}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 121 and name HD1%)
2.700 .900 .900 peak 143 spectrum 1 weight .10000E+01 volume .26909E-02 ppm1 3.734 ppm2 .625 CV 1
ASSI { 144}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 121 and name HD2%)
3.400 1.400 1.400 peak 144 spectrum 1 weight .10000E+01 volume .62942E-03 ppm1 3.734 ppm2 .450 CV 1
ASSI { 145}
(( segid " " and resid 51 and name HB ))
( segid " " and resid 121 and name HD1%)
2.800 1.000 1.000 peak 145 spectrum 1 weight .10000E+01 volume .18977E-02 ppm1 1.941 ppm2 .626 CV 1
ASSI { 146}
(( segid " " and resid 51 and name HB ))
( segid " " and resid 121 and name HD2%)
2.700 .900 .900 peak 146 spectrum 1 weight .10000E+01 volume .23878E-02 ppm1 1.941 ppm2 .451 CV 1
ASSI { 147}
(( segid " " and resid 51 and name HG12))
( segid " " and resid 51 and name HD1%)
2.000 .500 .500 peak 147 spectrum 1 weight .10000E+01 volume .15988E-01 ppm1 1.785 ppm2 .753 CV 1
OR { 147}
(( segid " " and resid 51 and name HG13))
( segid " " and resid 51 and name HD1%)
ASSI { 148}
(( segid " " and resid 51 and name HG12))
( segid " " and resid 121 and name HD1%)
3.100 1.200 1.200 peak 148 spectrum 1 weight .10000E+01 volume .10478E-02 ppm1 1.788 ppm2 .626 CV 1
OR { 148}
(( segid " " and resid 51 and name HG13))
( segid " " and resid 121 and name HD1%)
ASSI { 149}
(( segid " " and resid 51 and name HG13))
( segid " " and resid 121 and name HD2%)
2.900 1.000 1.000 peak 149 spectrum 1 weight .10000E+01 volume .17407E-02 ppm1 1.788 ppm2 .451 CV 1
OR { 149}
(( segid " " and resid 51 and name HG12))
( segid " " and resid 121 and name HD2%)
ASSI { 150}
( segid " " and resid 51 and name HG2%)
( segid " " and resid 51 and name HD1%)
2.000 .500 .500 peak 150 spectrum 1 weight .10000E+01 volume .14996E-01 ppm1 .977 ppm2 .751 CV 1
ASSI { 151}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 53 and name HB% )
2.100 .500 .500 peak 151 spectrum 1 weight .10000E+01 volume .12345E-01 ppm1 4.287 ppm2 1.577 CV 1
ASSI { 152}
( segid " " and resid 53 and name HB% )
( segid " " and resid 50 and name HD1%)
3.100 1.200 1.200 peak 152 spectrum 1 weight .10000E+01 volume .10151E-02 ppm1 1.578 ppm2 .689 CV 1
ASSI { 153}
( segid " " and resid 53 and name HB% )
( segid " " and resid 50 and name HD2%)
2.900 1.000 1.000 peak 153 spectrum 1 weight .10000E+01 volume .17859E-02 ppm1 1.580 ppm2 .474 CV 1
ASSI { 156}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 57 and name HB3 ))
3.300 1.300 1.300 peak 156 spectrum 1 weight .10000E+01 volume .78560E-03 ppm1 4.923 ppm2 3.439 CV 1
ASSI { 159}
(( segid " " and resid 54 and name HB2 ))
( segid " " and resid 121 and name HD1%)
3.000 1.100 1.100 peak 159 spectrum 1 weight .10000E+01 volume .14086E-02 ppm1 3.325 ppm2 .625 CV 1
ASSI { 161}
(( segid " " and resid 54 and name HB3 ))
( segid " " and resid 121 and name HD1%)
2.900 1.000 1.000 peak 161 spectrum 1 weight .10000E+01 volume .17159E-02 ppm1 3.082 ppm2 .625 CV 1
ASSI { 165}
(( segid " " and resid 57 and name HA ))
( segid " " and resid 60 and name HG2%)
3.000 1.200 1.200 peak 165 spectrum 1 weight .10000E+01 volume .12227E-02 ppm1 4.379 ppm2 1.402 CV 1
ASSI { 166}
(( segid " " and resid 57 and name HB2 ))
( segid " " and resid 57 and name HD% )
2.300 .700 .700 peak 166 spectrum 1 weight .10000E+01 volume .61301E-02 ppm1 3.480 ppm2 7.282 CV 1
ASSI { 167}
(( segid " " and resid 57 and name HB3 ))
( segid " " and resid 57 and name HD% )
2.300 .700 .700 peak 167 spectrum 1 weight .10000E+01 volume .64052E-02 ppm1 3.443 ppm2 7.282 CV 1
ASSI { 168}
( segid " " and resid 57 and name HE% )
(( segid " " and resid 27 and name HE1 ))
3.000 1.100 1.100 peak 168 spectrum 1 weight .10000E+01 volume .14108E-02 ppm1 7.177 ppm2 10.443 CV 1
ASSI { 169}
( segid " " and resid 57 and name HE% )
( segid " " and resid 57 and name HD% )
1.900 .400 .400 peak 169 spectrum 1 weight .10000E+01 volume .22601E-01 ppm1 7.170 ppm2 7.279 CV 1
ASSI { 171}
(( segid " " and resid 57 and name HZ ))
( segid " " and resid 57 and name HD% )
2.500 .800 .800 peak 171 spectrum 1 weight .10000E+01 volume .35940E-02 ppm1 6.814 ppm2 7.279 CV 1
ASSI { 172}
(( segid " " and resid 58 and name HE2 ))
( segid " " and resid 61 and name HD1%)
2.500 .800 .800 peak 172 spectrum 1 weight .10000E+01 volume .41729E-02 ppm1 3.587 ppm2 .953 CV 1
OR { 172}
(( segid " " and resid 58 and name HE3 ))
( segid " " and resid 61 and name HD1%)
ASSI { 173}
(( segid " " and resid 58 and name HE2 ))
( segid " " and resid 61 and name HD2%)
2.900 1.100 1.100 peak 173 spectrum 1 weight .10000E+01 volume .15801E-02 ppm1 3.587 ppm2 .833 CV 1
OR { 173}
(( segid " " and resid 58 and name HE3 ))
( segid " " and resid 61 and name HD2%)
ASSI { 174}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 60 and name HG2%)
2.300 .600 .600 peak 174 spectrum 1 weight .10000E+01 volume .70824E-02 ppm1 4.657 ppm2 1.404 CV 1
ASSI { 175}
(( segid " " and resid 60 and name HB ))
( segid " " and resid 60 and name HG2%)
2.100 .500 .500 peak 175 spectrum 1 weight .10000E+01 volume .12017E-01 ppm1 4.496 ppm2 1.402 CV 1
ASSI { 177}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 27 and name HZ2 ))
2.800 1.000 1.000 peak 177 spectrum 1 weight .10000E+01 volume .18754E-02 ppm1 4.457 ppm2 7.364 CV 1
ASSI { 178}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 61 and name HD1%)
2.800 1.000 1.000 peak 178 spectrum 1 weight .10000E+01 volume .18701E-02 ppm1 4.446 ppm2 .953 CV 1
ASSI { 179}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 61 and name HD2%)
2.400 .700 .700 peak 179 spectrum 1 weight .10000E+01 volume .54973E-02 ppm1 4.445 ppm2 .833 CV 1
ASSI { 180}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 64 and name HB% )
2.400 .700 .700 peak 180 spectrum 1 weight .10000E+01 volume .49568E-02 ppm1 4.445 ppm2 1.367 CV 1
ASSI { 181}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 107 and name HH2 ))
2.800 1.000 1.000 peak 181 spectrum 1 weight .10000E+01 volume .20752E-02 ppm1 4.457 ppm2 7.406 CV 1
ASSI { 182}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 107 and name HZ2 ))
2.700 .900 .900 peak 182 spectrum 1 weight .10000E+01 volume .24327E-02 ppm1 4.457 ppm2 7.432 CV 1
ASSI { 183}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 107 and name HZ3 ))
2.700 .900 .900 peak 183 spectrum 1 weight .10000E+01 volume .27048E-02 ppm1 4.457 ppm2 7.349 CV 1
ASSI { 184}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 27 and name HZ2 ))
2.700 .900 .900 peak 184 spectrum 1 weight .10000E+01 volume .24111E-02 ppm1 .954 ppm2 7.361 CV 1
ASSI { 185}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 57 and name HD% )
2.900 1.000 1.000 peak 185 spectrum 1 weight .10000E+01 volume .17818E-02 ppm1 .954 ppm2 7.282 CV 1
ASSI { 186}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 57 and name HE% )
2.600 .800 .800 peak 186 spectrum 1 weight .10000E+01 volume .33782E-02 ppm1 .954 ppm2 7.178 CV 1
ASSI { 187}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 107 and name HZ2 ))
2.500 .800 .800 peak 187 spectrum 1 weight .10000E+01 volume .36172E-02 ppm1 .953 ppm2 7.433 CV 1
ASSI { 188}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 27 and name HH2 ))
2.400 .700 .700 peak 188 spectrum 1 weight .10000E+01 volume .46157E-02 ppm1 .823 ppm2 7.014 CV 1
ASSI { 189}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 27 and name HZ2 ))
2.500 .800 .800 peak 189 spectrum 1 weight .10000E+01 volume .37541E-02 ppm1 .826 ppm2 7.362 CV 1
ASSI { 190}
( segid " " and resid 61 and name HD2%)
( segid " " and resid 57 and name HD% )
2.800 1.000 1.000 peak 190 spectrum 1 weight .10000E+01 volume .20763E-02 ppm1 .820 ppm2 7.283 CV 1
ASSI { 191}
( segid " " and resid 61 and name HD2%)
( segid " " and resid 57 and name HE% )
2.700 .900 .900 peak 191 spectrum 1 weight .10000E+01 volume .23643E-02 ppm1 .820 ppm2 7.178 CV 1
ASSI { 192}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 57 and name HZ ))
2.800 1.000 1.000 peak 192 spectrum 1 weight .10000E+01 volume .20507E-02 ppm1 .822 ppm2 6.814 CV 1
ASSI { 193}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 107 and name HZ2 ))
2.600 .800 .800 peak 193 spectrum 1 weight .10000E+01 volume .31191E-02 ppm1 .827 ppm2 7.433 CV 1
ASSI { 194}
( segid " " and resid 64 and name HB% )
( segid " " and resid 24 and name HD% )
2.500 .800 .800 peak 194 spectrum 1 weight .10000E+01 volume .35318E-02 ppm1 1.369 ppm2 7.153 CV 1
ASSI { 195}
( segid " " and resid 64 and name HB% )
( segid " " and resid 24 and name HE% )
2.500 .800 .800 peak 195 spectrum 1 weight .10000E+01 volume .41202E-02 ppm1 1.369 ppm2 7.192 CV 1
ASSI { 196}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 27 and name HH2 ))
2.800 1.000 1.000 peak 196 spectrum 1 weight .10000E+01 volume .21276E-02 ppm1 1.369 ppm2 7.014 CV 1
ASSI { 197}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 27 and name HZ3 ))
3.000 1.100 1.100 peak 197 spectrum 1 weight .10000E+01 volume .13295E-02 ppm1 1.369 ppm2 6.976 CV 1
ASSI { 198}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 107 and name HH2 ))
2.600 .800 .800 peak 198 spectrum 1 weight .10000E+01 volume .30875E-02 ppm1 1.370 ppm2 7.405 CV 1
ASSI { 199}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 107 and name HZ2 ))
2.600 .800 .800 peak 199 spectrum 1 weight .10000E+01 volume .32690E-02 ppm1 1.370 ppm2 7.433 CV 1
ASSI { 200}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 107 and name HZ3 ))
2.500 .800 .800 peak 200 spectrum 1 weight .10000E+01 volume .40759E-02 ppm1 1.370 ppm2 7.354 CV 1
ASSI { 201}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 68 and name HE ))
3.500 1.500 1.500 peak 201 spectrum 1 weight .10000E+01 volume .53682E-03 ppm1 3.612 ppm2 5.830 CV 1
ASSI { 202}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 107 and name HH2 ))
2.600 .900 .900 peak 202 spectrum 1 weight .10000E+01 volume .30300E-02 ppm1 3.610 ppm2 7.407 CV 1
ASSI { 203}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 107 and name HZ2 ))
2.600 .800 .800 peak 203 spectrum 1 weight .10000E+01 volume .32343E-02 ppm1 3.610 ppm2 7.432 CV 1
ASSI { 204}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 107 and name HH2 ))
3.200 1.300 1.300 peak 204 spectrum 1 weight .10000E+01 volume .93244E-03 ppm1 2.984 ppm2 7.407 CV 1
ASSI { 205}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 107 and name HZ2 ))
2.600 .900 .900 peak 205 spectrum 1 weight .10000E+01 volume .30747E-02 ppm1 2.985 ppm2 7.432 CV 1
ASSI { 207}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 107 and name HZ2 ))
2.700 .900 .900 peak 207 spectrum 1 weight .10000E+01 volume .24873E-02 ppm1 2.777 ppm2 7.432 CV 1
ASSI { 208}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 70 and name HB% )
2.300 .700 .700 peak 208 spectrum 1 weight .10000E+01 volume .64118E-02 ppm1 4.235 ppm2 1.396 CV 1
ASSI { 209}
(( segid " " and resid 68 and name HB2 ))
( segid " " and resid 24 and name HE% )
3.200 1.300 1.300 peak 209 spectrum 1 weight .10000E+01 volume .86178E-03 ppm1 1.832 ppm2 7.191 CV 1
ASSI { 210}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 24 and name HZ ))
3.000 1.100 1.100 peak 210 spectrum 1 weight .10000E+01 volume .14361E-02 ppm1 1.832 ppm2 7.149 CV 1
ASSI { 211}
(( segid " " and resid 68 and name HD3 ))
( segid " " and resid 24 and name HE% )
3.300 1.400 1.400 peak 211 spectrum 1 weight .10000E+01 volume .75536E-03 ppm1 2.791 ppm2 7.192 CV 1
OR { 211}
(( segid " " and resid 68 and name HD2 ))
( segid " " and resid 24 and name HE% )
ASSI { 213}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 70 and name HB% )
2.100 .600 .600 peak 213 spectrum 1 weight .10000E+01 volume .11190E-01 ppm1 4.077 ppm2 1.396 CV 1
ASSI { 214}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 73 and name HB% )
2.200 .600 .600 peak 214 spectrum 1 weight .10000E+01 volume .87061E-02 ppm1 4.075 ppm2 1.570 CV 1
ASSI { 215}
(( segid " " and resid 71 and name HA ))
( segid " " and resid 71 and name HD1%)
2.500 .800 .800 peak 215 spectrum 1 weight .10000E+01 volume .35974E-02 ppm1 3.452 ppm2 .396 CV 1
ASSI { 216}
(( segid " " and resid 71 and name HA ))
( segid " " and resid 71 and name HG2%)
2.600 .800 .800 peak 216 spectrum 1 weight .10000E+01 volume .33341E-02 ppm1 3.452 ppm2 .559 CV 1
ASSI { 217}
(( segid " " and resid 71 and name HA ))
( segid " " and resid 74 and name HG2%)
2.800 1.000 1.000 peak 217 spectrum 1 weight .10000E+01 volume .18309E-02 ppm1 3.452 ppm2 1.193 CV 1
ASSI { 218}
(( segid " " and resid 71 and name HB ))
( segid " " and resid 71 and name HD1%)
2.600 .900 .900 peak 218 spectrum 1 weight .10000E+01 volume .29030E-02 ppm1 1.735 ppm2 .396 CV 1
ASSI { 219}
(( segid " " and resid 71 and name HB ))
( segid " " and resid 71 and name HG2%)
2.600 .800 .800 peak 219 spectrum 1 weight .10000E+01 volume .32723E-02 ppm1 1.733 ppm2 .559 CV 1
ASSI { 222}
(( segid " " and resid 71 and name HG12))
( segid " " and resid 17 and name HE% )
3.100 1.200 1.200 peak 222 spectrum 1 weight .10000E+01 volume .11907E-02 ppm1 1.709 ppm2 6.710 CV 1
OR { 222}
(( segid " " and resid 71 and name HG13))
( segid " " and resid 17 and name HE% )
ASSI { 223}
(( segid " " and resid 71 and name HG13))
( segid " " and resid 71 and name HD1%)
2.500 .800 .800 peak 223 spectrum 1 weight .10000E+01 volume .36818E-02 ppm1 1.710 ppm2 .396 CV 1
OR { 223}
(( segid " " and resid 71 and name HG12))
( segid " " and resid 71 and name HD1%)
ASSI { 224}
( segid " " and resid 71 and name HG2%)
( segid " " and resid 17 and name HD% )
2.600 .800 .800 peak 224 spectrum 1 weight .10000E+01 volume .34829E-02 ppm1 .562 ppm2 7.153 CV 1
ASSI { 225}
( segid " " and resid 71 and name HG2%)
( segid " " and resid 17 and name HE% )
2.600 .800 .800 peak 225 spectrum 1 weight .10000E+01 volume .33960E-02 ppm1 .562 ppm2 6.710 CV 1
ASSI { 226}
(( segid " " and resid 72 and name HA ))
( segid " " and resid 17 and name HE% )
3.400 1.400 1.400 peak 226 spectrum 1 weight .10000E+01 volume .62120E-03 ppm1 4.121 ppm2 6.710 CV 1
ASSI { 227}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 75 and name HD2 ))
3.500 1.500 1.500 peak 227 spectrum 1 weight .10000E+01 volume .55458E-03 ppm1 4.120 ppm2 6.554 CV 1
ASSI { 228}
( segid " " and resid 72 and name HD1%)
(( segid " " and resid 75 and name HD2 ))
3.300 1.400 1.400 peak 228 spectrum 1 weight .10000E+01 volume .72968E-03 ppm1 .948 ppm2 6.554 CV 1
OR { 228}
( segid " " and resid 72 and name HD2%)
(( segid " " and resid 75 and name HD2 ))
ASSI { 229}
( segid " " and resid 72 and name HD1%)
(( segid " " and resid 75 and name HE1 ))
3.000 1.200 1.200 peak 229 spectrum 1 weight .10000E+01 volume .12055E-02 ppm1 .950 ppm2 7.612 CV 1
OR { 229}
( segid " " and resid 72 and name HD2%)
(( segid " " and resid 75 and name HE1 ))
ASSI { 230}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 17 and name HE% )
2.700 .900 .900 peak 230 spectrum 1 weight .10000E+01 volume .23860E-02 ppm1 8.134 ppm2 6.710 CV 1
ASSI { 231}
(( segid " " and resid 73 and name HA ))
( segid " " and resid 73 and name HB% )
2.000 .500 .500 peak 231 spectrum 1 weight .10000E+01 volume .14675E-01 ppm1 4.183 ppm2 1.570 CV 1
ASSI { 232}
(( segid " " and resid 74 and name HA ))
( segid " " and resid 74 and name HG2%)
2.500 .800 .800 peak 232 spectrum 1 weight .10000E+01 volume .41434E-02 ppm1 3.874 ppm2 1.192 CV 1
ASSI { 233}
(( segid " " and resid 74 and name HB ))
( segid " " and resid 74 and name HD1%)
2.300 .700 .700 peak 233 spectrum 1 weight .10000E+01 volume .64510E-02 ppm1 2.231 ppm2 1.059 CV 1
ASSI { 235}
( segid " " and resid 74 and name HG2%)
( segid " " and resid 17 and name HD% )
2.700 .900 .900 peak 235 spectrum 1 weight .10000E+01 volume .23833E-02 ppm1 1.187 ppm2 7.152 CV 1
ASSI { 236}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 14 and name HD2 ))
3.200 1.300 1.300 peak 236 spectrum 1 weight .10000E+01 volume .92291E-03 ppm1 4.014 ppm2 6.790 CV 1
ASSI { 237}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HD2 ))
2.700 .900 .900 peak 237 spectrum 1 weight .10000E+01 volume .22790E-02 ppm1 4.001 ppm2 6.554 CV 1
ASSI { 238}
(( segid " " and resid 75 and name HA ))
( segid " " and resid 78 and name HB% )
2.400 .700 .700 peak 238 spectrum 1 weight .10000E+01 volume .44986E-02 ppm1 4.013 ppm2 1.305 CV 1
ASSI { 239}
(( segid " " and resid 75 and name HB2 ))
( segid " " and resid 17 and name HD% )
2.600 .800 .800 peak 239 spectrum 1 weight .10000E+01 volume .31576E-02 ppm1 3.355 ppm2 7.153 CV 1
ASSI { 242}
(( segid " " and resid 75 and name HB3 ))
( segid " " and resid 17 and name HD% )
2.800 1.000 1.000 peak 242 spectrum 1 weight .10000E+01 volume .20419E-02 ppm1 3.054 ppm2 7.153 CV 1
ASSI { 243}
(( segid " " and resid 75 and name HB3 ))
( segid " " and resid 17 and name HE% )
2.900 1.000 1.000 peak 243 spectrum 1 weight .10000E+01 volume .17569E-02 ppm1 3.061 ppm2 6.708 CV 1
ASSI { 244}
(( segid " " and resid 75 and name HB3 ))
( segid " " and resid 74 and name HG2%)
3.100 1.200 1.200 peak 244 spectrum 1 weight .10000E+01 volume .99530E-03 ppm1 3.066 ppm2 1.194 CV 1
ASSI { 246}
(( segid " " and resid 75 and name HE1 ))
( segid " " and resid 17 and name HE% )
3.100 1.200 1.200 peak 246 spectrum 1 weight .10000E+01 volume .10036E-02 ppm1 7.621 ppm2 6.718 CV 1
ASSI { 247}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HD2 ))
3.300 1.400 1.400 peak 247 spectrum 1 weight .10000E+01 volume .70758E-03 ppm1 8.262 ppm2 6.553 CV 1
ASSI { 248}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 10 and name HG2%)
2.500 .800 .800 peak 248 spectrum 1 weight .10000E+01 volume .41535E-02 ppm1 3.816 ppm2 .789 CV 1
ASSI { 249}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 78 and name HB% )
2.200 .600 .600 peak 249 spectrum 1 weight .10000E+01 volume .87414E-02 ppm1 3.817 ppm2 1.306 CV 1
ASSI { 250}
( segid " " and resid 78 and name HB% )
( segid " " and resid 10 and name HD1%)
2.300 .700 .700 peak 250 spectrum 1 weight .10000E+01 volume .60381E-02 ppm1 1.298 ppm2 .476 CV 1
ASSI { 251}
( segid " " and resid 78 and name HB% )
(( segid " " and resid 14 and name HD2 ))
2.800 1.000 1.000 peak 251 spectrum 1 weight .10000E+01 volume .20351E-02 ppm1 1.303 ppm2 6.793 CV 1
ASSI { 253}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 82 and name HB% )
2.100 .600 .600 peak 253 spectrum 1 weight .10000E+01 volume .99481E-02 ppm1 3.898 ppm2 1.515 CV 1
ASSI { 254}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 75 and name HE1 ))
2.800 1.000 1.000 peak 254 spectrum 1 weight .10000E+01 volume .21567E-02 ppm1 2.151 ppm2 7.610 CV 1
ASSI { 255}
(( segid " " and resid 79 and name HB3 ))
(( segid " " and resid 75 and name HE1 ))
2.800 1.000 1.000 peak 255 spectrum 1 weight .10000E+01 volume .18754E-02 ppm1 2.085 ppm2 7.608 CV 1
ASSI { 256}
(( segid " " and resid 79 and name HE22))
(( segid " " and resid 79 and name HE21))
1.900 .400 .400 peak 256 spectrum 1 weight .10000E+01 volume .21753E-01 ppm1 6.829 ppm2 7.430 CV 1
ASSI { 257}
(( segid " " and resid 79 and name HG2 ))
(( segid " " and resid 75 and name HE1 ))
2.800 1.000 1.000 peak 257 spectrum 1 weight .10000E+01 volume .20615E-02 ppm1 2.280 ppm2 7.610 CV 1
OR { 257}
(( segid " " and resid 79 and name HG3 ))
(( segid " " and resid 75 and name HE1 ))
ASSI { 258}
(( segid " " and resid 81 and name HA ))
( segid " " and resid 10 and name HG2%)
2.900 1.100 1.100 peak 258 spectrum 1 weight .10000E+01 volume .15939E-02 ppm1 3.506 ppm2 .790 CV 1
ASSI { 259}
(( segid " " and resid 81 and name HA ))
( segid " " and resid 81 and name HD1%)
2.500 .800 .800 peak 259 spectrum 1 weight .10000E+01 volume .40064E-02 ppm1 3.506 ppm2 .815 CV 1
ASSI { 260}
(( segid " " and resid 81 and name HG12))
( segid " " and resid 10 and name HD1%)
2.400 .700 .700 peak 260 spectrum 1 weight .10000E+01 volume .46971E-02 ppm1 1.808 ppm2 .476 CV 1
ASSI { 261}
(( segid " " and resid 81 and name HG13))
( segid " " and resid 10 and name HD1%)
2.100 .600 .600 peak 261 spectrum 1 weight .10000E+01 volume .10240E-01 ppm1 1.754 ppm2 .476 CV 1
ASSI { 262}
( segid " " and resid 81 and name HG2%)
( segid " " and resid 10 and name HD1%)
2.600 .900 .900 peak 262 spectrum 1 weight .10000E+01 volume .28886E-02 ppm1 1.000 ppm2 .476 CV 1
ASSI { 263}
(( segid " " and resid 82 and name HA ))
( segid " " and resid 10 and name HD1%)
2.400 .700 .700 peak 263 spectrum 1 weight .10000E+01 volume .54106E-02 ppm1 3.923 ppm2 .476 CV 1
ASSI { 264}
(( segid " " and resid 85 and name HD22))
(( segid " " and resid 85 and name HD21))
2.500 .800 .800 peak 264 spectrum 1 weight .10000E+01 volume .40640E-02 ppm1 7.231 ppm2 8.008 CV 1
ASSI { 265}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HD2 ))
2.900 1.000 1.000 peak 265 spectrum 1 weight .10000E+01 volume .16521E-02 ppm1 4.236 ppm2 7.146 CV 1
ASSI { 266}
(( segid " " and resid 89 and name HA ))
( segid " " and resid 89 and name HD2%)
2.300 .700 .700 peak 266 spectrum 1 weight .10000E+01 volume .57939E-02 ppm1 4.531 ppm2 .872 CV 1
OR { 266}
(( segid " " and resid 89 and name HA ))
( segid " " and resid 89 and name HD1%)
ASSI { 267}
( segid " " and resid 89 and name HD1%)
(( segid " " and resid 14 and name HE1 ))
2.400 .700 .700 peak 267 spectrum 1 weight .10000E+01 volume .55797E-02 ppm1 .890 ppm2 7.499 CV 1
OR { 267}
( segid " " and resid 89 and name HD2%)
(( segid " " and resid 14 and name HE1 ))
ASSI { 268}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 14 and name HE1 ))
3.200 1.200 1.200 peak 268 spectrum 1 weight .10000E+01 volume .98791E-03 ppm1 3.454 ppm2 7.496 CV 1
ASSI { 269}
(( segid " " and resid 93 and name HB2 ))
( segid " " and resid 97 and name HG2%)
3.400 1.400 1.400 peak 269 spectrum 1 weight .10000E+01 volume .62892E-03 ppm1 3.120 ppm2 1.249 CV 1
ASSI { 270}
(( segid " " and resid 93 and name HB3 ))
( segid " " and resid 97 and name HG2%)
3.100 1.200 1.200 peak 270 spectrum 1 weight .10000E+01 volume .10318E-02 ppm1 3.034 ppm2 1.248 CV 1
ASSI { 271}
(( segid " " and resid 94 and name HB2 ))
( segid " " and resid 95 and name HD% )
2.500 .800 .800 peak 271 spectrum 1 weight .10000E+01 volume .38306E-02 ppm1 1.707 ppm2 7.041 CV 1
ASSI { 272}
(( segid " " and resid 94 and name HB2 ))
( segid " " and resid 95 and name HE% )
2.900 1.000 1.000 peak 272 spectrum 1 weight .10000E+01 volume .16872E-02 ppm1 1.707 ppm2 6.956 CV 1
ASSI { 273}
(( segid " " and resid 94 and name HD3 ))
(( segid " " and resid 14 and name HE1 ))
2.900 1.100 1.100 peak 273 spectrum 1 weight .10000E+01 volume .15822E-02 ppm1 4.027 ppm2 7.495 CV 1
ASSI { 274}
(( segid " " and resid 94 and name HG2 ))
( segid " " and resid 95 and name HD% )
3.100 1.200 1.200 peak 274 spectrum 1 weight .10000E+01 volume .11254E-02 ppm1 1.045 ppm2 7.041 CV 1
ASSI { 275}
(( segid " " and resid 94 and name HG2 ))
( segid " " and resid 95 and name HE% )
3.100 1.200 1.200 peak 275 spectrum 1 weight .10000E+01 volume .11941E-02 ppm1 1.045 ppm2 6.955 CV 1
ASSI { 277}
(( segid " " and resid 95 and name HA ))
( segid " " and resid 95 and name HD% )
2.400 .700 .700 peak 277 spectrum 1 weight .10000E+01 volume .50941E-02 ppm1 4.636 ppm2 7.045 CV 1
ASSI { 278}
(( segid " " and resid 95 and name HB2 ))
( segid " " and resid 15 and name HD2%)
3.300 1.300 1.300 peak 278 spectrum 1 weight .10000E+01 volume .77796E-03 ppm1 3.294 ppm2 .463 CV 1
OR { 278}
(( segid " " and resid 95 and name HB2 ))
( segid " " and resid 15 and name HD1%)
ASSI { 279}
(( segid " " and resid 95 and name HB2 ))
( segid " " and resid 95 and name HD% )
2.500 .800 .800 peak 279 spectrum 1 weight .10000E+01 volume .41982E-02 ppm1 3.297 ppm2 7.041 CV 1
ASSI { 281}
(( segid " " and resid 95 and name HB3 ))
( segid " " and resid 15 and name HD2%)
3.300 1.400 1.400 peak 281 spectrum 1 weight .10000E+01 volume .70153E-03 ppm1 2.745 ppm2 .463 CV 1
OR { 281}
(( segid " " and resid 95 and name HB3 ))
( segid " " and resid 15 and name HD1%)
ASSI { 282}
(( segid " " and resid 95 and name HB3 ))
( segid " " and resid 95 and name HD% )
2.600 .800 .800 peak 282 spectrum 1 weight .10000E+01 volume .32398E-02 ppm1 2.750 ppm2 7.044 CV 1
ASSI { 284}
( segid " " and resid 95 and name HE% )
(( segid " " and resid 12 and name HE22))
3.200 1.300 1.300 peak 284 spectrum 1 weight .10000E+01 volume .87817E-03 ppm1 6.965 ppm2 6.790 CV 1
ASSI { 285}
(( segid " " and resid 96 and name HA ))
( segid " " and resid 96 and name HG2%)
2.600 .900 .900 peak 285 spectrum 1 weight .10000E+01 volume .29533E-02 ppm1 4.847 ppm2 1.254 CV 1
ASSI { 286}
(( segid " " and resid 96 and name HB ))
( segid " " and resid 96 and name HG2%)
2.600 .900 .900 peak 286 spectrum 1 weight .10000E+01 volume .29596E-02 ppm1 4.406 ppm2 1.258 CV 1
ASSI { 288}
( segid " " and resid 96 and name HG2%)
( segid " " and resid 17 and name HE% )
2.500 .800 .800 peak 288 spectrum 1 weight .10000E+01 volume .39580E-02 ppm1 1.255 ppm2 6.709 CV 1
ASSI { 289}
(( segid " " and resid 97 and name HA ))
( segid " " and resid 97 and name HG2%)
2.200 .600 .600 peak 289 spectrum 1 weight .10000E+01 volume .97323E-02 ppm1 4.444 ppm2 1.248 CV 1
ASSI { 290}
(( segid " " and resid 97 and name HB ))
( segid " " and resid 97 and name HG2%)
2.100 .500 .500 peak 290 spectrum 1 weight .10000E+01 volume .11730E-01 ppm1 4.549 ppm2 1.246 CV 1
ASSI { 291}
(( segid " " and resid 98 and name HB ))
( segid " " and resid 17 and name HE% )
3.400 1.400 1.400 peak 291 spectrum 1 weight .10000E+01 volume .64883E-03 ppm1 2.204 ppm2 6.709 CV 1
ASSI { 292}
( segid " " and resid 98 and name HG1%)
( segid " " and resid 17 and name HE% )
2.500 .800 .800 peak 292 spectrum 1 weight .10000E+01 volume .37898E-02 ppm1 .927 ppm2 6.710 CV 1
ASSI { 293}
( segid " " and resid 98 and name HG2%)
( segid " " and resid 17 and name HD% )
2.400 .700 .700 peak 293 spectrum 1 weight .10000E+01 volume .47921E-02 ppm1 .877 ppm2 7.151 CV 1
ASSI { 294}
( segid " " and resid 98 and name HG2%)
( segid " " and resid 17 and name HE% )
2.900 1.000 1.000 peak 294 spectrum 1 weight .10000E+01 volume .16563E-02 ppm1 .877 ppm2 6.710 CV 1
ASSI { 295}
(( segid " " and resid 100 and name HA ))
( segid " " and resid 17 and name HE% )
3.200 1.200 1.200 peak 295 spectrum 1 weight .10000E+01 volume .98343E-03 ppm1 4.001 ppm2 6.711 CV 1
ASSI { 296}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 75 and name HE1 ))
3.000 1.100 1.100 peak 296 spectrum 1 weight .10000E+01 volume .13722E-02 ppm1 4.002 ppm2 7.608 CV 1
ASSI { 297}
(( segid " " and resid 100 and name HD2 ))
(( segid " " and resid 75 and name HE1 ))
3.100 1.200 1.200 peak 297 spectrum 1 weight .10000E+01 volume .10378E-02 ppm1 3.531 ppm2 7.609 CV 1
ASSI { 298}
(( segid " " and resid 100 and name HD2 ))
( segid " " and resid 99 and name HG2%)
2.800 1.000 1.000 peak 298 spectrum 1 weight .10000E+01 volume .20637E-02 ppm1 3.535 ppm2 1.373 CV 1
ASSI { 299}
(( segid " " and resid 100 and name HD3 ))
( segid " " and resid 17 and name HE% )
3.300 1.400 1.400 peak 299 spectrum 1 weight .10000E+01 volume .72236E-03 ppm1 3.425 ppm2 6.707 CV 1
ASSI { 301}
(( segid " " and resid 100 and name HD3 ))
( segid " " and resid 99 and name HG2%)
2.800 1.000 1.000 peak 301 spectrum 1 weight .10000E+01 volume .19189E-02 ppm1 3.426 ppm2 1.375 CV 1
ASSI { 302}
(( segid " " and resid 101 and name HE22))
(( segid " " and resid 101 and name HE21))
1.800 .400 .400 peak 302 spectrum 1 weight .10000E+01 volume .28400E-01 ppm1 6.800 ppm2 7.409 CV 1
ASSI { 303}
(( segid " " and resid 103 and name HA ))
( segid " " and resid 28 and name HE% )
2.400 .700 .700 peak 303 spectrum 1 weight .10000E+01 volume .56965E-02 ppm1 3.742 ppm2 2.378 CV 1
ASSI { 304}
(( segid " " and resid 103 and name HG12))
( segid " " and resid 24 and name HE% )
2.900 1.000 1.000 peak 304 spectrum 1 weight .10000E+01 volume .16964E-02 ppm1 1.709 ppm2 7.192 CV 1
ASSI { 306}
( segid " " and resid 103 and name HG2%)
( segid " " and resid 24 and name HD% )
2.400 .800 .800 peak 306 spectrum 1 weight .10000E+01 volume .44754E-02 ppm1 .979 ppm2 7.153 CV 1
ASSI { 307}
( segid " " and resid 103 and name HG2%)
( segid " " and resid 24 and name HE% )
2.500 .800 .800 peak 307 spectrum 1 weight .10000E+01 volume .39126E-02 ppm1 .978 ppm2 7.192 CV 1
ASSI { 309}
(( segid " " and resid 104 and name HD22))
(( segid " " and resid 104 and name HD21))
2.300 .700 .700 peak 309 spectrum 1 weight .10000E+01 volume .61671E-02 ppm1 6.163 ppm2 7.322 CV 1
ASSI { 311}
(( segid " " and resid 107 and name HA ))
(( segid " " and resid 107 and name HE3 ))
2.600 .800 .800 peak 311 spectrum 1 weight .10000E+01 volume .33201E-02 ppm1 4.487 ppm2 7.970 CV 1
ASSI { 312}
(( segid " " and resid 107 and name HA ))
( segid " " and resid 110 and name HG1%)
2.700 .900 .900 peak 312 spectrum 1 weight .10000E+01 volume .25205E-02 ppm1 4.491 ppm2 .925 CV 1
ASSI { 313}
(( segid " " and resid 107 and name HA ))
( segid " " and resid 110 and name HG2%)
3.100 1.200 1.200 peak 313 spectrum 1 weight .10000E+01 volume .10707E-02 ppm1 4.491 ppm2 .633 CV 1
ASSI { 314}
(( segid " " and resid 107 and name HB2 ))
(( segid " " and resid 107 and name HD1 ))
2.700 .900 .900 peak 314 spectrum 1 weight .10000E+01 volume .26317E-02 ppm1 3.629 ppm2 7.269 CV 1
ASSI { 315}
(( segid " " and resid 107 and name HB2 ))
(( segid " " and resid 107 and name HE3 ))
2.900 1.000 1.000 peak 315 spectrum 1 weight .10000E+01 volume .16391E-02 ppm1 3.629 ppm2 7.970 CV 1
ASSI { 316}
(( segid " " and resid 107 and name HB3 ))
(( segid " " and resid 107 and name HD1 ))
2.600 .800 .800 peak 316 spectrum 1 weight .10000E+01 volume .31004E-02 ppm1 3.555 ppm2 7.269 CV 1
ASSI { 318}
(( segid " " and resid 107 and name HE3 ))
( segid " " and resid 24 and name HE% )
2.800 1.000 1.000 peak 318 spectrum 1 weight .10000E+01 volume .19006E-02 ppm1 7.966 ppm2 7.193 CV 1
ASSI { 319}
(( segid " " and resid 107 and name HE3 ))
(( segid " " and resid 24 and name HZ ))
2.800 1.000 1.000 peak 319 spectrum 1 weight .10000E+01 volume .19302E-02 ppm1 7.966 ppm2 7.147 CV 1
ASSI { 320}
(( segid " " and resid 107 and name HE3 ))
(( segid " " and resid 27 and name HH2 ))
3.200 1.300 1.300 peak 320 spectrum 1 weight .10000E+01 volume .87992E-03 ppm1 7.966 ppm2 7.020 CV 1
ASSI { 321}
(( segid " " and resid 107 and name HE3 ))
(( segid " " and resid 27 and name HZ3 ))
3.100 1.200 1.200 peak 321 spectrum 1 weight .10000E+01 volume .10067E-02 ppm1 7.966 ppm2 6.973 CV 1
ASSI { 322}
(( segid " " and resid 107 and name HE3 ))
(( segid " " and resid 107 and name HH2 ))
2.900 1.000 1.000 peak 322 spectrum 1 weight .10000E+01 volume .16601E-02 ppm1 7.966 ppm2 7.406 CV 1
ASSI { 323}
(( segid " " and resid 107 and name HE3 ))
(( segid " " and resid 107 and name HZ2 ))
2.800 1.000 1.000 peak 323 spectrum 1 weight .10000E+01 volume .20087E-02 ppm1 7.966 ppm2 7.433 CV 1
ASSI { 324}
(( segid " " and resid 107 and name HE3 ))
(( segid " " and resid 107 and name HZ3 ))
2.600 .900 .900 peak 324 spectrum 1 weight .10000E+01 volume .29454E-02 ppm1 7.966 ppm2 7.354 CV 1
ASSI { 326}
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 107 and name HD1 ))
2.500 .800 .800 peak 326 spectrum 1 weight .10000E+01 volume .36938E-02 ppm1 3.922 ppm2 7.270 CV 1
ASSI { 328}
(( segid " " and resid 110 and name HA ))
( segid " " and resid 35 and name HD2%)
2.800 1.000 1.000 peak 328 spectrum 1 weight .10000E+01 volume .21971E-02 ppm1 3.218 ppm2 .654 CV 1
ASSI { 329}
(( segid " " and resid 110 and name HA ))
( segid " " and resid 110 and name HG1%)
2.200 .600 .600 peak 329 spectrum 1 weight .10000E+01 volume .78009E-02 ppm1 3.216 ppm2 .924 CV 1
ASSI { 330}
(( segid " " and resid 110 and name HA ))
( segid " " and resid 110 and name HG2%)
2.500 .800 .800 peak 330 spectrum 1 weight .10000E+01 volume .39083E-02 ppm1 3.218 ppm2 .632 CV 1
ASSI { 331}
(( segid " " and resid 110 and name HB ))
( segid " " and resid 110 and name HG2%)
2.500 .800 .800 peak 331 spectrum 1 weight .10000E+01 volume .37974E-02 ppm1 2.150 ppm2 .632 CV 1
ASSI { 332}
( segid " " and resid 110 and name HG1%)
(( segid " " and resid 57 and name HZ ))
3.200 1.200 1.200 peak 332 spectrum 1 weight .10000E+01 volume .97925E-03 ppm1 .929 ppm2 6.814 CV 1
ASSI { 334}
( segid " " and resid 110 and name HG2%)
(( segid " " and resid 27 and name HZ3 ))
3.300 1.400 1.400 peak 334 spectrum 1 weight .10000E+01 volume .70583E-03 ppm1 .641 ppm2 6.976 CV 1
ASSI { 335}
( segid " " and resid 110 and name HG2%)
(( segid " " and resid 107 and name HE3 ))
3.100 1.200 1.200 peak 335 spectrum 1 weight .10000E+01 volume .10191E-02 ppm1 .639 ppm2 7.969 CV 1
ASSI { 337}
(( segid " " and resid 111 and name HA ))
( segid " " and resid 114 and name HG1%)
2.900 1.000 1.000 peak 337 spectrum 1 weight .10000E+01 volume .17363E-02 ppm1 3.685 ppm2 1.301 CV 1
ASSI { 340}
(( segid " " and resid 111 and name HE22))
(( segid " " and resid 107 and name HE1 ))
3.300 1.300 1.300 peak 340 spectrum 1 weight .10000E+01 volume .80528E-03 ppm1 5.603 ppm2 10.220 CV 1
ASSI { 341}
(( segid " " and resid 111 and name HE22))
(( segid " " and resid 107 and name HZ2 ))
3.100 1.200 1.200 peak 341 spectrum 1 weight .10000E+01 volume .11766E-02 ppm1 5.603 ppm2 7.433 CV 1
ASSI { 343}
(( segid " " and resid 111 and name HG2 ))
(( segid " " and resid 107 and name HD1 ))
2.900 1.000 1.000 peak 343 spectrum 1 weight .10000E+01 volume .16368E-02 ppm1 1.890 ppm2 7.270 CV 1
ASSI { 345}
(( segid " " and resid 111 and name HG3 ))
(( segid " " and resid 107 and name HD1 ))
2.800 1.000 1.000 peak 345 spectrum 1 weight .10000E+01 volume .18379E-02 ppm1 1.605 ppm2 7.271 CV 1
ASSI { 347}
(( segid " " and resid 112 and name HE22))
(( segid " " and resid 112 and name HE21))
1.800 .400 .400 peak 347 spectrum 1 weight .10000E+01 volume .25109E-01 ppm1 6.815 ppm2 7.514 CV 1
ASSI { 348}
(( segid " " and resid 114 and name HA ))
(( segid " " and resid 54 and name HE1 ))
2.500 .800 .800 peak 348 spectrum 1 weight .10000E+01 volume .40168E-02 ppm1 3.869 ppm2 7.433 CV 1
ASSI { 349}
(( segid " " and resid 114 and name HA ))
( segid " " and resid 114 and name HG1%)
2.300 .600 .600 peak 349 spectrum 1 weight .10000E+01 volume .70047E-02 ppm1 3.864 ppm2 1.301 CV 1
ASSI { 350}
(( segid " " and resid 114 and name HA ))
( segid " " and resid 114 and name HG2%)
2.400 .700 .700 peak 350 spectrum 1 weight .10000E+01 volume .51459E-02 ppm1 3.864 ppm2 1.088 CV 1
ASSI { 351}
( segid " " and resid 114 and name HG1%)
(( segid " " and resid 57 and name HZ ))
3.000 1.200 1.200 peak 351 spectrum 1 weight .10000E+01 volume .12193E-02 ppm1 1.290 ppm2 6.814 CV 1
ASSI { 352}
( segid " " and resid 114 and name HG1%)
( segid " " and resid 114 and name HG2%)
2.000 .500 .500 peak 352 spectrum 1 weight .10000E+01 volume .16639E-01 ppm1 1.301 ppm2 1.088 CV 1
ASSI { 354}
( segid " " and resid 114 and name HG2%)
(( segid " " and resid 54 and name HE1 ))
2.600 .900 .900 peak 354 spectrum 1 weight .10000E+01 volume .30471E-02 ppm1 1.085 ppm2 7.435 CV 1
ASSI { 355}
( segid " " and resid 114 and name HG2%)
( segid " " and resid 57 and name HD% )
3.300 1.300 1.300 peak 355 spectrum 1 weight .10000E+01 volume .76861E-03 ppm1 1.084 ppm2 7.282 CV 1
ASSI { 357}
(( segid " " and resid 117 and name HA ))
( segid " " and resid 120 and name HB% )
2.200 .600 .600 peak 357 spectrum 1 weight .10000E+01 volume .85803E-02 ppm1 4.257 ppm2 1.626 CV 1
ASSI { 358}
(( segid " " and resid 117 and name HA ))
( segid " " and resid 121 and name HD1%)
2.900 1.100 1.100 peak 358 spectrum 1 weight .10000E+01 volume .16114E-02 ppm1 4.287 ppm2 .624 CV 1
ASSI { 359}
(( segid " " and resid 117 and name HD2 ))
( segid " " and resid 121 and name HD1%)
2.800 1.000 1.000 peak 359 spectrum 1 weight .10000E+01 volume .20382E-02 ppm1 3.060 ppm2 .624 CV 1
OR { 359}
(( segid " " and resid 117 and name HD3 ))
( segid " " and resid 121 and name HD1%)
ASSI { 360}
(( segid " " and resid 117 and name HD2 ))
( segid " " and resid 121 and name HD2%)
3.100 1.200 1.200 peak 360 spectrum 1 weight .10000E+01 volume .11842E-02 ppm1 3.060 ppm2 .452 CV 1
OR { 360}
(( segid " " and resid 117 and name HD3 ))
( segid " " and resid 121 and name HD2%)
ASSI { 361}
(( segid " " and resid 117 and name HG2 ))
(( segid " " and resid 54 and name HD2 ))
2.600 .900 .900 peak 361 spectrum 1 weight .10000E+01 volume .30023E-02 ppm1 1.632 ppm2 7.366 CV 1
OR { 361}
(( segid " " and resid 117 and name HG3 ))
(( segid " " and resid 54 and name HD2 ))
ASSI { 362}
(( segid " " and resid 117 and name HG2 ))
(( segid " " and resid 54 and name HE1 ))
2.500 .800 .800 peak 362 spectrum 1 weight .10000E+01 volume .41050E-02 ppm1 1.631 ppm2 7.435 CV 1
OR { 362}
(( segid " " and resid 117 and name HG3 ))
(( segid " " and resid 54 and name HE1 ))
ASSI { 363}
(( segid " " and resid 117 and name HG2 ))
( segid " " and resid 121 and name HD1%)
2.800 1.000 1.000 peak 363 spectrum 1 weight .10000E+01 volume .21408E-02 ppm1 1.630 ppm2 .627 CV 1
OR { 363}
(( segid " " and resid 117 and name HG3 ))
( segid " " and resid 121 and name HD1%)
ASSI { 364}
(( segid " " and resid 117 and name HG3 ))
( segid " " and resid 121 and name HD2%)
2.200 .600 .600 peak 364 spectrum 1 weight .10000E+01 volume .88792E-02 ppm1 1.632 ppm2 .450 CV 1
OR { 364}
(( segid " " and resid 117 and name HG2 ))
( segid " " and resid 121 and name HD2%)
ASSI { 365}
(( segid " " and resid 118 and name HA ))
(( segid " " and resid 54 and name HD2 ))
2.500 .800 .800 peak 365 spectrum 1 weight .10000E+01 volume .38353E-02 ppm1 4.288 ppm2 7.361 CV 1
ASSI { 366}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 119 and name HD2 ))
2.900 1.100 1.100 peak 366 spectrum 1 weight .10000E+01 volume .16134E-02 ppm1 4.275 ppm2 7.172 CV 1
ASSI { 367}
(( segid " " and resid 119 and name HB3 ))
(( segid " " and resid 119 and name HD2 ))
2.600 .800 .800 peak 367 spectrum 1 weight .10000E+01 volume .31762E-02 ppm1 3.296 ppm2 7.173 CV 1
OR { 367}
(( segid " " and resid 119 and name HB2 ))
(( segid " " and resid 119 and name HD2 ))
ASSI { 368}
(( segid " " and resid 120 and name HA ))
(( segid " " and resid 119 and name HD2 ))
3.000 1.100 1.100 peak 368 spectrum 1 weight .10000E+01 volume .12949E-02 ppm1 4.209 ppm2 7.172 CV 1
ASSI { 369}
(( segid " " and resid 120 and name HA ))
( segid " " and resid 120 and name HB% )
2.000 .500 .500 peak 369 spectrum 1 weight .10000E+01 volume .13555E-01 ppm1 4.211 ppm2 1.627 CV 1
ASSI { 370}
( segid " " and resid 120 and name HB% )
( segid " " and resid 39 and name HE% )
2.600 .800 .800 peak 370 spectrum 1 weight .10000E+01 volume .34646E-02 ppm1 1.630 ppm2 7.132 CV 1
ASSI { 371}
( segid " " and resid 120 and name HB% )
(( segid " " and resid 39 and name HZ ))
2.500 .800 .800 peak 371 spectrum 1 weight .10000E+01 volume .40382E-02 ppm1 1.630 ppm2 7.035 CV 1
ASSI { 372}
(( segid " " and resid 121 and name HA ))
(( segid " " and resid 39 and name HZ ))
2.800 1.000 1.000 peak 372 spectrum 1 weight .10000E+01 volume .18337E-02 ppm1 3.949 ppm2 7.034 CV 1
ASSI { 373}
(( segid " " and resid 121 and name HA ))
( segid " " and resid 121 and name HD1%)
2.800 1.000 1.000 peak 373 spectrum 1 weight .10000E+01 volume .19452E-02 ppm1 3.952 ppm2 .624 CV 1
ASSI { 374}
(( segid " " and resid 121 and name HA ))
( segid " " and resid 121 and name HD2%)
2.400 .700 .700 peak 374 spectrum 1 weight .10000E+01 volume .50018E-02 ppm1 3.952 ppm2 .448 CV 1
ASSI { 375}
( segid " " and resid 121 and name HD1%)
(( segid " " and resid 54 and name HD2 ))
2.500 .800 .800 peak 375 spectrum 1 weight .10000E+01 volume .38543E-02 ppm1 .628 ppm2 7.365 CV 1
ASSI { 376}
( segid " " and resid 121 and name HD2%)
( segid " " and resid 39 and name HE% )
2.700 .900 .900 peak 376 spectrum 1 weight .10000E+01 volume .25226E-02 ppm1 .460 ppm2 7.132 CV 1
ASSI { 377}
( segid " " and resid 121 and name HD2%)
(( segid " " and resid 39 and name HZ ))
2.300 .700 .700 peak 377 spectrum 1 weight .10000E+01 volume .60332E-02 ppm1 .459 ppm2 7.036 CV 1
ASSI { 379}
(( segid " " and resid 124 and name HB2 ))
(( segid " " and resid 39 and name HZ ))
3.000 1.100 1.100 peak 379 spectrum 1 weight .10000E+01 volume .14232E-02 ppm1 2.179 ppm2 7.036 CV 1
ASSI { 380}
(( segid " " and resid 124 and name HB3 ))
( segid " " and resid 39 and name HE% )
3.300 1.300 1.300 peak 380 spectrum 1 weight .10000E+01 volume .77795E-03 ppm1 2.048 ppm2 7.134 CV 1
ASSI { 381}
(( segid " " and resid 124 and name HB3 ))
(( segid " " and resid 39 and name HZ ))
3.000 1.100 1.100 peak 381 spectrum 1 weight .10000E+01 volume .13145E-02 ppm1 2.048 ppm2 7.036 CV 1
ASSI { 382}
(( segid " " and resid 124 and name HG2 ))
( segid " " and resid 39 and name HD% )
3.100 1.200 1.200 peak 382 spectrum 1 weight .10000E+01 volume .10389E-02 ppm1 2.360 ppm2 7.029 CV 1
OR { 382}
(( segid " " and resid 124 and name HG3 ))
( segid " " and resid 39 and name HD% )
ASSI { 383}
(( segid " " and resid 124 and name HG2 ))
( segid " " and resid 39 and name HE% )
2.900 1.000 1.000 peak 383 spectrum 1 weight .10000E+01 volume .16979E-02 ppm1 2.360 ppm2 7.134 CV 1
OR { 383}
(( segid " " and resid 124 and name HG3 ))
( segid " " and resid 39 and name HE% )
ASSI { 386}
(( segid " " and resid 129 and name HE22))
(( segid " " and resid 129 and name HE21))
1.700 .400 .500 peak 386 spectrum 1 weight .10000E+01 volume .42934E-01 ppm1 6.788 ppm2 7.450 CV 1
ASSI { 399}
( segid " " and resid 28 and name HE% )
( segid " " and resid 24 and name HD% )
2.500 .800 .800 peak 399 spectrum 1 weight .10000E+01 volume .42545E-02 ppm1 2.384 ppm2 7.153 CV 1
OR { 399}
(( segid " " and resid 28 and name HG2 ))
( segid " " and resid 24 and name HD% )
ASSI { 401}
(( segid " " and resid 28 and name HG2 ))
( segid " " and resid 24 and name HE% )
2.800 1.000 1.000 peak 401 spectrum 1 weight .10000E+01 volume .20668E-02 ppm1 2.386 ppm2 7.191 CV 1
OR { 401}
( segid " " and resid 28 and name HE% )
( segid " " and resid 24 and name HE% )
ASSI { 3}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 11 and name HB2 ))
2.600 .800 .800 peak 3 spectrum 2 weight .10000E+01 volume .34204E-02 ppm1 4.145 ppm2 2.851 CV 1
OR { 3}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 11 and name HB3 ))
ASSI { 5}
( segid " " and resid 10 and name HD1%)
(( segid " " and resid 14 and name HE1 ))
2.300 .600 .600 peak 5 spectrum 2 weight .10000E+01 volume .70089E-02 ppm1 .485 ppm2 7.474 CV 1
ASSI { 6}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 14 and name HB2 ))
3.600 1.600 1.600 peak 6 spectrum 2 weight .10000E+01 volume .47063E-03 ppm1 4.573 ppm2 3.864 CV 1
ASSI { 7}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 14 and name HB3 ))
2.900 1.100 1.100 peak 7 spectrum 2 weight .10000E+01 volume .15175E-02 ppm1 4.574 ppm2 3.345 CV 1
ASSI { 8}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 95 and name HD% )
2.800 1.000 1.000 peak 8 spectrum 2 weight .10000E+01 volume .21185E-02 ppm1 4.575 ppm2 7.045 CV 1
ASSI { 9}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 95 and name HE% )
2.700 .900 .900 peak 9 spectrum 2 weight .10000E+01 volume .24585E-02 ppm1 4.575 ppm2 6.959 CV 1
ASSI { 11}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HE1 ))
3.200 1.300 1.300 peak 11 spectrum 2 weight .10000E+01 volume .89927E-03 ppm1 4.560 ppm2 7.474 CV 1
ASSI { 12}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HB2 ))
2.900 1.100 1.100 peak 12 spectrum 2 weight .10000E+01 volume .15175E-02 ppm1 4.574 ppm2 3.344 CV 1
ASSI { 13}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HB3 ))
3.300 1.400 1.400 peak 13 spectrum 2 weight .10000E+01 volume .69279E-03 ppm1 4.573 ppm2 3.198 CV 1
ASSI { 19}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 95 and name HB2 ))
3.400 1.500 1.500 peak 19 spectrum 2 weight .10000E+01 volume .59198E-03 ppm1 3.897 ppm2 3.282 CV 1
ASSI { 20}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 95 and name HB3 ))
3.300 1.400 1.400 peak 20 spectrum 2 weight .10000E+01 volume .74308E-03 ppm1 3.898 ppm2 2.758 CV 1
ASSI { 23}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 95 and name HD% )
3.400 1.400 1.400 peak 23 spectrum 2 weight .10000E+01 volume .65195E-03 ppm1 1.501 ppm2 7.043 CV 1
ASSI { 26}
( segid " " and resid 15 and name HD2%)
( segid " " and resid 95 and name HE% )
2.600 .800 .800 peak 26 spectrum 2 weight .10000E+01 volume .32816E-02 ppm1 .459 ppm2 6.958 CV 1
OR { 26}
( segid " " and resid 15 and name HD1%)
( segid " " and resid 95 and name HE% )
ASSI { 27}
(( segid " " and resid 15 and name HG ))
( segid " " and resid 95 and name HD% )
3.100 1.200 1.200 peak 27 spectrum 2 weight .10000E+01 volume .10068E-02 ppm1 1.371 ppm2 7.042 CV 1
ASSI { 32}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 17 and name HE% )
3.000 1.100 1.100 peak 32 spectrum 2 weight .10000E+01 volume .13353E-02 ppm1 3.936 ppm2 6.711 CV 1
ASSI { 33}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 24 and name HB2 ))
3.800 1.800 1.800 peak 33 spectrum 2 weight .10000E+01 volume .33336E-03 ppm1 3.923 ppm2 3.472 CV 1
ASSI { 34}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 24 and name HB3 ))
3.300 1.400 1.400 peak 34 spectrum 2 weight .10000E+01 volume .70109E-03 ppm1 3.924 ppm2 2.858 CV 1
ASSI { 37}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HB2 ))
3.000 1.100 1.100 peak 37 spectrum 2 weight .10000E+01 volume .14101E-02 ppm1 4.390 ppm2 3.117 CV 1
ASSI { 38}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HB3 ))
2.700 .900 .900 peak 38 spectrum 2 weight .10000E+01 volume .23227E-02 ppm1 4.390 ppm2 2.607 CV 1
ASSI { 39}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HB2 ))
2.700 .900 .900 peak 39 spectrum 2 weight .10000E+01 volume .26817E-02 ppm1 4.573 ppm2 2.967 CV 1
ASSI { 40}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HB3 ))
2.900 1.100 1.100 peak 40 spectrum 2 weight .10000E+01 volume .15731E-02 ppm1 4.574 ppm2 2.933 CV 1
ASSI { 43}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HB2 ))
3.500 1.500 1.500 peak 43 spectrum 2 weight .10000E+01 volume .50938E-03 ppm1 4.602 ppm2 3.648 CV 1
ASSI { 44}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HB3 ))
3.200 1.300 1.300 peak 44 spectrum 2 weight .10000E+01 volume .93849E-03 ppm1 4.603 ppm2 3.409 CV 1
ASSI { 52}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HE3 ))
3.000 1.100 1.100 peak 52 spectrum 2 weight .10000E+01 volume .12476E-02 ppm1 3.650 ppm2 7.106 CV 1
ASSI { 54}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HE3 ))
2.900 1.000 1.000 peak 54 spectrum 2 weight .10000E+01 volume .16885E-02 ppm1 3.402 ppm2 7.106 CV 1
ASSI { 55}
(( segid " " and resid 27 and name HZ2 ))
(( segid " " and resid 27 and name HE3 ))
2.800 1.000 1.000 peak 55 spectrum 2 weight .10000E+01 volume .21678E-02 ppm1 7.370 ppm2 7.109 CV 1
ASSI { 57}
(( segid " " and resid 27 and name HZ2 ))
(( segid " " and resid 27 and name HZ3 ))
2.600 .800 .800 peak 57 spectrum 2 weight .10000E+01 volume .34429E-02 ppm1 7.370 ppm2 6.982 CV 1
ASSI { 58}
(( segid " " and resid 27 and name HZ2 ))
(( segid " " and resid 57 and name HZ ))
3.000 1.100 1.100 peak 58 spectrum 2 weight .10000E+01 volume .13388E-02 ppm1 7.369 ppm2 6.816 CV 1
ASSI { 60}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 27 and name HE3 ))
3.100 1.200 1.200 peak 60 spectrum 2 weight .10000E+01 volume .10713E-02 ppm1 2.387 ppm2 7.108 CV 1
ASSI { 63}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 34 and name HB2 ))
2.900 1.100 1.100 peak 63 spectrum 2 weight .10000E+01 volume .15238E-02 ppm1 3.762 ppm2 2.537 CV 1
ASSI { 64}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 34 and name HB3 ))
2.800 1.000 1.000 peak 64 spectrum 2 weight .10000E+01 volume .21291E-02 ppm1 3.762 ppm2 2.459 CV 1
ASSI { 66}
( segid " " and resid 31 and name HB% )
( segid " " and resid 57 and name HD% )
2.900 1.000 1.000 peak 66 spectrum 2 weight .10000E+01 volume .17798E-02 ppm1 .743 ppm2 7.280 CV 1
ASSI { 69}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 37 and name HB2 ))
2.700 .900 .900 peak 69 spectrum 2 weight .10000E+01 volume .26378E-02 ppm1 4.288 ppm2 2.717 CV 1
ASSI { 70}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 37 and name HB3 ))
3.100 1.200 1.200 peak 70 spectrum 2 weight .10000E+01 volume .11953E-02 ppm1 4.288 ppm2 2.620 CV 1
ASSI { 72}
( segid " " and resid 35 and name HD2%)
(( segid " " and resid 54 and name HE1 ))
2.800 1.000 1.000 peak 72 spectrum 2 weight .10000E+01 volume .18066E-02 ppm1 .642 ppm2 7.434 CV 1
ASSI { 76}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 50 and name HD2%)
3.500 1.500 1.500 peak 76 spectrum 2 weight .10000E+01 volume .52230E-03 ppm1 4.681 ppm2 .478 CV 1
ASSI { 80}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 39 and name HE% )
3.100 1.200 1.200 peak 80 spectrum 2 weight .10000E+01 volume .10118E-02 ppm1 2.883 ppm2 7.135 CV 1
ASSI { 85}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HD2 ))
2.500 .800 .800 peak 85 spectrum 2 weight .10000E+01 volume .40340E-02 ppm1 3.421 ppm2 7.275 CV 1
ASSI { 87}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 50 and name HD2%)
2.500 .800 .800 peak 87 spectrum 2 weight .10000E+01 volume .36137E-02 ppm1 3.936 ppm2 .488 CV 1
ASSI { 89}
( segid " " and resid 50 and name HD1%)
( segid " " and resid 39 and name HE% )
3.900 1.900 1.900 peak 89 spectrum 2 weight .10000E+01 volume .29529E-03 ppm1 .693 ppm2 7.135 CV 1
ASSI { 91}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 54 and name HB2 ))
3.500 1.500 1.500 peak 91 spectrum 2 weight .10000E+01 volume .52091E-03 ppm1 3.741 ppm2 3.329 CV 1
ASSI { 92}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 54 and name HB3 ))
3.400 1.500 1.500 peak 92 spectrum 2 weight .10000E+01 volume .58228E-03 ppm1 3.742 ppm2 3.074 CV 1
ASSI { 94}
( segid " " and resid 51 and name HG2%)
( segid " " and resid 121 and name HD1%)
2.400 .700 .700 peak 94 spectrum 2 weight .10000E+01 volume .51730E-02 ppm1 .970 ppm2 .632 CV 1
ASSI { 95}
( segid " " and resid 51 and name HG2%)
( segid " " and resid 121 and name HD2%)
2.800 1.000 1.000 peak 95 spectrum 2 weight .10000E+01 volume .18179E-02 ppm1 .970 ppm2 .485 CV 1
ASSI { 96}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 55 and name HB2 ))
2.500 .800 .800 peak 96 spectrum 2 weight .10000E+01 volume .35745E-02 ppm1 4.341 ppm2 2.902 CV 1
ASSI { 97}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 55 and name HB3 ))
2.700 .900 .900 peak 97 spectrum 2 weight .10000E+01 volume .26025E-02 ppm1 4.341 ppm2 2.681 CV 1
ASSI { 98}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HD2 ))
3.100 1.200 1.200 peak 98 spectrum 2 weight .10000E+01 volume .11666E-02 ppm1 4.939 ppm2 7.369 CV 1
ASSI { 99}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 57 and name HB2 ))
3.000 1.200 1.200 peak 99 spectrum 2 weight .10000E+01 volume .12084E-02 ppm1 4.939 ppm2 3.461 CV 1
ASSI { 101}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 57 and name HD% )
2.700 .900 .900 peak 101 spectrum 2 weight .10000E+01 volume .23042E-02 ppm1 4.939 ppm2 7.279 CV 1
ASSI { 102}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HD2 ))
2.700 .900 .900 peak 102 spectrum 2 weight .10000E+01 volume .25081E-02 ppm1 3.349 ppm2 7.369 CV 1
ASSI { 103}
(( segid " " and resid 54 and name HB3 ))
(( segid " " and resid 54 and name HD2 ))
2.800 1.000 1.000 peak 103 spectrum 2 weight .10000E+01 volume .21462E-02 ppm1 3.089 ppm2 7.369 CV 1
ASSI { 104}
(( segid " " and resid 57 and name HA ))
( segid " " and resid 57 and name HD% )
2.400 .700 .700 peak 104 spectrum 2 weight .10000E+01 volume .48789E-02 ppm1 4.392 ppm2 7.279 CV 1
ASSI { 105}
(( segid " " and resid 57 and name HA ))
( segid " " and resid 57 and name HE% )
2.900 1.000 1.000 peak 105 spectrum 2 weight .10000E+01 volume .17222E-02 ppm1 4.392 ppm2 7.174 CV 1
ASSI { 108}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 63 and name HB2 ))
3.400 1.400 1.400 peak 108 spectrum 2 weight .10000E+01 volume .67918E-03 ppm1 4.669 ppm2 2.709 CV 1
ASSI { 109}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 63 and name HB3 ))
3.300 1.400 1.400 peak 109 spectrum 2 weight .10000E+01 volume .68171E-03 ppm1 4.669 ppm2 2.539 CV 1
ASSI { 110}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 27 and name HH2 ))
3.400 1.500 1.500 peak 110 spectrum 2 weight .10000E+01 volume .60743E-03 ppm1 4.470 ppm2 7.021 CV 1
ASSI { 127}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 107 and name HE3 ))
2.800 1.000 1.000 peak 127 spectrum 2 weight .10000E+01 volume .18179E-02 ppm1 1.355 ppm2 7.979 CV 1
ASSI { 136}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 107 and name HH2 ))
3.000 1.100 1.100 peak 136 spectrum 2 weight .10000E+01 volume .12659E-02 ppm1 2.777 ppm2 7.410 CV 1
ASSI { 138}
(( segid " " and resid 68 and name HD2 ))
(( segid " " and resid 107 and name HD1 ))
3.500 1.500 1.500 peak 138 spectrum 2 weight .10000E+01 volume .53523E-03 ppm1 2.808 ppm2 7.265 CV 1
OR { 138}
(( segid " " and resid 68 and name HD3 ))
(( segid " " and resid 107 and name HD1 ))
ASSI { 139}
( segid " " and resid 71 and name HD1%)
( segid " " and resid 17 and name HE% )
3.600 1.600 1.600 peak 139 spectrum 2 weight .10000E+01 volume .44687E-03 ppm1 .405 ppm2 6.710 CV 1
ASSI { 140}
( segid " " and resid 71 and name HD1%)
( segid " " and resid 24 and name HD% )
2.600 .800 .800 peak 140 spectrum 2 weight .10000E+01 volume .31618E-02 ppm1 .407 ppm2 7.161 CV 1
ASSI { 141}
( segid " " and resid 71 and name HD1%)
( segid " " and resid 24 and name HE% )
3.100 1.200 1.200 peak 141 spectrum 2 weight .10000E+01 volume .11424E-02 ppm1 .407 ppm2 7.200 CV 1
ASSI { 144}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 75 and name HB2 ))
3.200 1.300 1.300 peak 144 spectrum 2 weight .10000E+01 volume .87389E-03 ppm1 4.132 ppm2 3.357 CV 1
ASSI { 145}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 75 and name HB3 ))
3.400 1.400 1.400 peak 145 spectrum 2 weight .10000E+01 volume .66003E-03 ppm1 4.132 ppm2 3.056 CV 1
ASSI { 146}
( segid " " and resid 74 and name HD1%)
( segid " " and resid 17 and name HD% )
3.000 1.100 1.100 peak 146 spectrum 2 weight .10000E+01 volume .13600E-02 ppm1 1.061 ppm2 7.159 CV 1
ASSI { 149}
( segid " " and resid 74 and name HG2%)
( segid " " and resid 17 and name HE% )
3.700 1.700 1.700 peak 149 spectrum 2 weight .10000E+01 volume .40096E-03 ppm1 1.189 ppm2 6.709 CV 1
ASSI { 152}
(( segid " " and resid 75 and name HB2 ))
( segid " " and resid 17 and name HE% )
2.800 1.000 1.000 peak 152 spectrum 2 weight .10000E+01 volume .18107E-02 ppm1 3.364 ppm2 6.711 CV 1
ASSI { 153}
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HD2 ))
2.800 1.000 1.000 peak 153 spectrum 2 weight .10000E+01 volume .19284E-02 ppm1 3.365 ppm2 6.549 CV 1
ASSI { 156}
(( segid " " and resid 75 and name HB3 ))
(( segid " " and resid 75 and name HD2 ))
3.000 1.100 1.100 peak 156 spectrum 2 weight .10000E+01 volume .14338E-02 ppm1 3.064 ppm2 6.549 CV 1
ASSI { 157}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 10 and name HD1%)
3.000 1.100 1.100 peak 157 spectrum 2 weight .10000E+01 volume .13254E-02 ppm1 3.820 ppm2 .480 CV 1
ASSI { 159}
( segid " " and resid 78 and name HB% )
(( segid " " and resid 14 and name HE1 ))
3.000 1.100 1.100 peak 159 spectrum 2 weight .10000E+01 volume .13141E-02 ppm1 1.306 ppm2 7.473 CV 1
ASSI { 160}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 75 and name HD2 ))
3.000 1.100 1.100 peak 160 spectrum 2 weight .10000E+01 volume .12711E-02 ppm1 2.150 ppm2 6.573 CV 1
ASSI { 161}
(( segid " " and resid 79 and name HG2 ))
(( segid " " and resid 75 and name HD2 ))
3.000 1.100 1.100 peak 161 spectrum 2 weight .10000E+01 volume .13893E-02 ppm1 2.281 ppm2 6.574 CV 1
OR { 161}
(( segid " " and resid 79 and name HG3 ))
(( segid " " and resid 75 and name HD2 ))
ASSI { 162}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 85 and name HB2 ))
3.500 1.500 1.500 peak 162 spectrum 2 weight .10000E+01 volume .56568E-03 ppm1 3.900 ppm2 2.843 CV 1
ASSI { 164}
(( segid " " and resid 94 and name HA ))
( segid " " and resid 95 and name HD% )
3.600 1.600 1.600 peak 164 spectrum 2 weight .10000E+01 volume .42356E-03 ppm1 4.859 ppm2 7.046 CV 1
ASSI { 169}
(( segid " " and resid 94 and name HG3 ))
( segid " " and resid 95 and name HD% )
3.400 1.400 1.400 peak 169 spectrum 2 weight .10000E+01 volume .65888E-03 ppm1 1.266 ppm2 7.042 CV 1
ASSI { 172}
(( segid " " and resid 95 and name HB2 ))
( segid " " and resid 95 and name HE% )
2.700 .900 .900 peak 172 spectrum 2 weight .10000E+01 volume .27284E-02 ppm1 3.298 ppm2 6.959 CV 1
ASSI { 174}
(( segid " " and resid 95 and name HB3 ))
( segid " " and resid 95 and name HE% )
2.900 1.000 1.000 peak 174 spectrum 2 weight .10000E+01 volume .16264E-02 ppm1 2.765 ppm2 6.959 CV 1
ASSI { 175}
(( segid " " and resid 96 and name HA ))
( segid " " and resid 18 and name HB% )
2.700 .900 .900 peak 175 spectrum 2 weight .10000E+01 volume .22906E-02 ppm1 4.860 ppm2 1.704 CV 1
ASSI { 176}
(( segid " " and resid 96 and name HA ))
( segid " " and resid 98 and name HG1%)
3.000 1.100 1.100 peak 176 spectrum 2 weight .10000E+01 volume .12571E-02 ppm1 4.861 ppm2 .930 CV 1
ASSI { 177}
(( segid " " and resid 96 and name HA ))
( segid " " and resid 98 and name HG2%)
3.300 1.400 1.400 peak 177 spectrum 2 weight .10000E+01 volume .68287E-03 ppm1 4.861 ppm2 .869 CV 1
ASSI { 178}
( segid " " and resid 96 and name HG2%)
( segid " " and resid 17 and name HD% )
2.400 .700 .700 peak 178 spectrum 2 weight .10000E+01 volume .44694E-02 ppm1 1.266 ppm2 7.161 CV 1
ASSI { 180}
( segid " " and resid 98 and name HG1%)
( segid " " and resid 71 and name HG2%)
2.500 .800 .800 peak 180 spectrum 2 weight .10000E+01 volume .36992E-02 ppm1 .928 ppm2 .571 CV 1
ASSI { 181}
( segid " " and resid 98 and name HG2%)
( segid " " and resid 71 and name HD1%)
2.700 .900 .900 peak 181 spectrum 2 weight .10000E+01 volume .22510E-02 ppm1 .878 ppm2 .403 CV 1
ASSI { 182}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 75 and name HE1 ))
3.100 1.200 1.200 peak 182 spectrum 2 weight .10000E+01 volume .10928E-02 ppm1 4.732 ppm2 7.601 CV 1
ASSI { 183}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 100 and name HD2 ))
3.000 1.200 1.200 peak 183 spectrum 2 weight .10000E+01 volume .12096E-02 ppm1 4.734 ppm2 3.528 CV 1
ASSI { 184}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 100 and name HD3 ))
2.900 1.000 1.000 peak 184 spectrum 2 weight .10000E+01 volume .16324E-02 ppm1 4.732 ppm2 3.417 CV 1
ASSI { 186}
(( segid " " and resid 100 and name HD2 ))
( segid " " and resid 17 and name HE% )
3.700 1.700 1.700 peak 186 spectrum 2 weight .10000E+01 volume .40165E-03 ppm1 3.529 ppm2 6.710 CV 1
ASSI { 189}
(( segid " " and resid 100 and name HD3 ))
(( segid " " and resid 75 and name HE1 ))
3.200 1.300 1.300 peak 189 spectrum 2 weight .10000E+01 volume .87112E-03 ppm1 3.428 ppm2 7.604 CV 1
ASSI { 190}
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 104 and name HB2 ))
2.700 .900 .900 peak 190 spectrum 2 weight .10000E+01 volume .23510E-02 ppm1 4.107 ppm2 2.888 CV 1
ASSI { 191}
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 104 and name HB3 ))
2.800 1.000 1.000 peak 191 spectrum 2 weight .10000E+01 volume .19319E-02 ppm1 4.107 ppm2 2.851 CV 1
ASSI { 193}
(( segid " " and resid 103 and name HG13))
( segid " " and resid 24 and name HE% )
3.000 1.100 1.100 peak 193 spectrum 2 weight .10000E+01 volume .13477E-02 ppm1 1.155 ppm2 7.198 CV 1
ASSI { 196}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 107 and name HB2 ))
3.400 1.500 1.500 peak 196 spectrum 2 weight .10000E+01 volume .61273E-03 ppm1 4.861 ppm2 3.638 CV 1
ASSI { 197}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 107 and name HB3 ))
3.400 1.400 1.400 peak 197 spectrum 2 weight .10000E+01 volume .65933E-03 ppm1 4.861 ppm2 3.553 CV 1
ASSI { 198}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 107 and name HD1 ))
2.700 .900 .900 peak 198 spectrum 2 weight .10000E+01 volume .24558E-02 ppm1 4.861 ppm2 7.265 CV 1
ASSI { 199}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 107 and name HE3 ))
3.300 1.300 1.300 peak 199 spectrum 2 weight .10000E+01 volume .78715E-03 ppm1 4.861 ppm2 7.969 CV 1
ASSI { 200}
(( segid " " and resid 107 and name HA ))
(( segid " " and resid 107 and name HD1 ))
2.800 1.000 1.000 peak 200 spectrum 2 weight .10000E+01 volume .18098E-02 ppm1 4.496 ppm2 7.266 CV 1
ASSI { 206}
(( segid " " and resid 107 and name HB3 ))
(( segid " " and resid 107 and name HE3 ))
3.200 1.300 1.300 peak 206 spectrum 2 weight .10000E+01 volume .82313E-03 ppm1 3.559 ppm2 7.975 CV 1
ASSI { 209}
(( segid " " and resid 107 and name HE3 ))
(( segid " " and resid 27 and name HE3 ))
3.200 1.300 1.300 peak 209 spectrum 2 weight .10000E+01 volume .90226E-03 ppm1 7.986 ppm2 7.109 CV 1
ASSI { 216}
(( segid " " and resid 108 and name HG2 ))
(( segid " " and resid 107 and name HD1 ))
3.000 1.100 1.100 peak 216 spectrum 2 weight .10000E+01 volume .12479E-02 ppm1 2.543 ppm2 7.266 CV 1
ASSI { 217}
( segid " " and resid 110 and name HG1%)
(( segid " " and resid 107 and name HE3 ))
3.000 1.100 1.100 peak 217 spectrum 2 weight .10000E+01 volume .12516E-02 ppm1 .935 ppm2 7.985 CV 1
ASSI { 219}
( segid " " and resid 110 and name HG2%)
(( segid " " and resid 27 and name HH2 ))
2.900 1.100 1.100 peak 219 spectrum 2 weight .10000E+01 volume .14734E-02 ppm1 .643 ppm2 7.021 CV 1
ASSI { 225}
( segid " " and resid 114 and name HG1%)
(( segid " " and resid 54 and name HD2 ))
3.100 1.200 1.200 peak 225 spectrum 2 weight .10000E+01 volume .11288E-02 ppm1 1.308 ppm2 7.369 CV 1
ASSI { 227}
( segid " " and resid 114 and name HG2%)
(( segid " " and resid 54 and name HD2 ))
3.300 1.400 1.400 peak 227 spectrum 2 weight .10000E+01 volume .72716E-03 ppm1 1.102 ppm2 7.369 CV 1
ASSI { 230}
( segid " " and resid 114 and name HG2%)
( segid " " and resid 57 and name HE% )
3.000 1.100 1.100 peak 230 spectrum 2 weight .10000E+01 volume .13252E-02 ppm1 1.103 ppm2 7.174 CV 1
ASSI { 231}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 118 and name HB2 ))
2.900 1.000 1.000 peak 231 spectrum 2 weight .10000E+01 volume .16776E-02 ppm1 4.782 ppm2 3.007 CV 1
ASSI { 232}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 118 and name HB3 ))
2.900 1.000 1.000 peak 232 spectrum 2 weight .10000E+01 volume .16368E-02 ppm1 4.782 ppm2 2.705 CV 1
ASSI { 233}
(( segid " " and resid 117 and name HB3 ))
(( segid " " and resid 54 and name HE1 ))
2.900 1.100 1.100 peak 233 spectrum 2 weight .10000E+01 volume .15332E-02 ppm1 1.802 ppm2 7.435 CV 1
ASSI { 237}
(( segid " " and resid 118 and name HB2 ))
(( segid " " and resid 54 and name HD2 ))
3.000 1.100 1.100 peak 237 spectrum 2 weight .10000E+01 volume .12612E-02 ppm1 3.034 ppm2 7.370 CV 1
ASSI { 238}
(( segid " " and resid 118 and name HB3 ))
(( segid " " and resid 54 and name HD2 ))
3.300 1.400 1.400 peak 238 spectrum 2 weight .10000E+01 volume .75001E-03 ppm1 2.700 ppm2 7.370 CV 1
ASSI { 248}
(( segid " " and resid 124 and name HB2 ))
( segid " " and resid 39 and name HE% )
2.800 1.000 1.000 peak 248 spectrum 2 weight .10000E+01 volume .18433E-02 ppm1 2.179 ppm2 7.135 CV 1
ASSI { 3}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HN ))
2.900 1.000 1.000 peak 3 spectrum 3 weight .10000E+01 volume .16400E-02 ppm1 4.302 ppm2 8.619 CV 1
ASSI { 4}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 4 and name HN ))
3.500 1.500 1.500 peak 4 spectrum 3 weight .10000E+01 volume .53148E-03 ppm1 1.253 ppm2 8.619 CV 1
ASSI { 5}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HN ))
2.700 .900 .900 peak 5 spectrum 3 weight .10000E+01 volume .26033E-02 ppm1 4.065 ppm2 8.622 CV 1
ASSI { 6}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HN ))
2.600 .800 .800 peak 6 spectrum 3 weight .10000E+01 volume .33735E-02 ppm1 2.099 ppm2 8.621 CV 1
OR { 6}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HN ))
ASSI { 7}
(( segid " " and resid 4 and name HG2 ))
(( segid " " and resid 4 and name HN ))
3.200 1.300 1.300 peak 7 spectrum 3 weight .10000E+01 volume .90885E-03 ppm1 2.417 ppm2 8.620 CV 1
ASSI { 8}
(( segid " " and resid 4 and name HG3 ))
(( segid " " and resid 4 and name HN ))
3.100 1.200 1.200 peak 8 spectrum 3 weight .10000E+01 volume .11279E-02 ppm1 2.335 ppm2 8.620 CV 1
ASSI { 10}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 5 and name HN ))
3.300 1.400 1.400 peak 10 spectrum 3 weight .10000E+01 volume .69636E-03 ppm1 4.295 ppm2 8.221 CV 1
ASSI { 11}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HN ))
3.000 1.100 1.100 peak 11 spectrum 3 weight .10000E+01 volume .14164E-02 ppm1 4.063 ppm2 8.218 CV 1
ASSI { 12}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 5 and name HN ))
2.800 1.000 1.000 peak 12 spectrum 3 weight .10000E+01 volume .18296E-02 ppm1 2.107 ppm2 8.219 CV 1
OR { 12}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 5 and name HN ))
ASSI { 13}
(( segid " " and resid 4 and name HG2 ))
(( segid " " and resid 5 and name HN ))
3.500 1.600 1.600 peak 13 spectrum 3 weight .10000E+01 volume .49774E-03 ppm1 2.428 ppm2 8.216 CV 1
ASSI { 14}
(( segid " " and resid 4 and name HG3 ))
(( segid " " and resid 5 and name HN ))
3.500 1.600 1.600 peak 14 spectrum 3 weight .10000E+01 volume .49552E-03 ppm1 2.343 ppm2 8.222 CV 1
ASSI { 15}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HN ))
3.600 1.700 1.700 peak 15 spectrum 3 weight .10000E+01 volume .41926E-03 ppm1 8.615 ppm2 8.220 CV 1
ASSI { 16}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
2.700 .900 .900 peak 16 spectrum 3 weight .10000E+01 volume .23915E-02 ppm1 4.199 ppm2 8.220 CV 1
ASSI { 17}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HN ))
2.500 .800 .800 peak 17 spectrum 3 weight .10000E+01 volume .35327E-02 ppm1 1.898 ppm2 8.221 CV 1
OR { 17}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HN ))
ASSI { 18}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 5 and name HN ))
3.400 1.500 1.500 peak 18 spectrum 3 weight .10000E+01 volume .59307E-03 ppm1 1.723 ppm2 8.221 CV 1
OR { 18}
(( segid " " and resid 5 and name HD3 ))
(( segid " " and resid 5 and name HN ))
ASSI { 19}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 5 and name HN ))
3.100 1.200 1.200 peak 19 spectrum 3 weight .10000E+01 volume .11335E-02 ppm1 1.544 ppm2 8.220 CV 1
ASSI { 20}
(( segid " " and resid 5 and name HG3 ))
(( segid " " and resid 5 and name HN ))
3.100 1.200 1.200 peak 20 spectrum 3 weight .10000E+01 volume .10902E-02 ppm1 1.504 ppm2 8.220 CV 1
ASSI { 22}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 5 and name HN ))
2.500 .800 .800 peak 22 spectrum 3 weight .10000E+01 volume .35562E-02 ppm1 8.267 ppm2 8.220 CV 1
ASSI { 23}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 6 and name HN ))
2.900 1.100 1.100 peak 23 spectrum 3 weight .10000E+01 volume .15497E-02 ppm1 4.307 ppm2 8.223 CV 1
ASSI { 24}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 6 and name HN ))
3.100 1.200 1.200 peak 24 spectrum 3 weight .10000E+01 volume .11324E-02 ppm1 4.064 ppm2 8.223 CV 1
ASSI { 25}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 6 and name HN ))
3.600 1.600 1.600 peak 25 spectrum 3 weight .10000E+01 volume .44525E-03 ppm1 8.618 ppm2 8.227 CV 1
ASSI { 26}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HN ))
2.600 .900 .900 peak 26 spectrum 3 weight .10000E+01 volume .29122E-02 ppm1 4.200 ppm2 8.223 CV 1
ASSI { 27}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 6 and name HN ))
2.800 1.000 1.000 peak 27 spectrum 3 weight .10000E+01 volume .20135E-02 ppm1 1.899 ppm2 8.223 CV 1
OR { 27}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 6 and name HN ))
ASSI { 28}
(( segid " " and resid 5 and name HG2 ))
(( segid " " and resid 6 and name HN ))
3.000 1.100 1.100 peak 28 spectrum 3 weight .10000E+01 volume .13031E-02 ppm1 1.555 ppm2 8.227 CV 1
ASSI { 29}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HN ))
2.500 .800 .800 peak 29 spectrum 3 weight .10000E+01 volume .36817E-02 ppm1 4.238 ppm2 8.223 CV 1
ASSI { 30}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HN ))
2.700 .900 .900 peak 30 spectrum 3 weight .10000E+01 volume .24008E-02 ppm1 2.153 ppm2 8.223 CV 1
ASSI { 31}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HN ))
2.700 .900 .900 peak 31 spectrum 3 weight .10000E+01 volume .25770E-02 ppm1 1.829 ppm2 8.223 CV 1
ASSI { 32}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HN ))
2.700 .900 .900 peak 32 spectrum 3 weight .10000E+01 volume .24773E-02 ppm1 2.452 ppm2 8.227 CV 1
ASSI { 33}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 6 and name HN ))
2.400 .700 .700 peak 33 spectrum 3 weight .10000E+01 volume .57470E-02 ppm1 2.339 ppm2 8.227 CV 1
ASSI { 34}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HN ))
2.100 .500 .500 peak 34 spectrum 3 weight .10000E+01 volume .11433E-01 ppm1 8.267 ppm2 8.227 CV 1
ASSI { 40}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HE21))
3.200 1.300 1.300 peak 40 spectrum 3 weight .10000E+01 volume .96652E-03 ppm1 2.452 ppm2 7.196 CV 1
ASSI { 41}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HE22))
3.100 1.200 1.200 peak 41 spectrum 3 weight .10000E+01 volume .11779E-02 ppm1 2.453 ppm2 6.609 CV 1
ASSI { 42}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 6 and name HE21))
3.100 1.200 1.200 peak 42 spectrum 3 weight .10000E+01 volume .10625E-02 ppm1 2.340 ppm2 7.196 CV 1
ASSI { 43}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 6 and name HE22))
3.300 1.400 1.400 peak 43 spectrum 3 weight .10000E+01 volume .71837E-03 ppm1 2.338 ppm2 6.609 CV 1
ASSI { 44}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 7 and name HN ))
3.200 1.300 1.300 peak 44 spectrum 3 weight .10000E+01 volume .91313E-03 ppm1 4.295 ppm2 8.269 CV 1
ASSI { 45}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 7 and name HN ))
3.000 1.100 1.100 peak 45 spectrum 3 weight .10000E+01 volume .14261E-02 ppm1 4.199 ppm2 8.269 CV 1
ASSI { 46}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HN ))
3.000 1.100 1.100 peak 46 spectrum 3 weight .10000E+01 volume .12762E-02 ppm1 4.239 ppm2 8.269 CV 1
ASSI { 47}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 7 and name HN ))
2.900 1.000 1.000 peak 47 spectrum 3 weight .10000E+01 volume .17508E-02 ppm1 2.151 ppm2 8.273 CV 1
ASSI { 48}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 7 and name HN ))
3.400 1.400 1.400 peak 48 spectrum 3 weight .10000E+01 volume .66349E-03 ppm1 2.451 ppm2 8.270 CV 1
ASSI { 49}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 7 and name HN ))
3.400 1.500 1.500 peak 49 spectrum 3 weight .10000E+01 volume .60976E-03 ppm1 2.340 ppm2 8.270 CV 1
ASSI { 50}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HN ))
2.600 .800 .800 peak 50 spectrum 3 weight .10000E+01 volume .32425E-02 ppm1 1.921 ppm2 8.268 CV 1
ASSI { 51}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HN ))
2.500 .800 .800 peak 51 spectrum 3 weight .10000E+01 volume .36109E-02 ppm1 1.783 ppm2 8.268 CV 1
ASSI { 52}
( segid " " and resid 7 and name HD1%)
(( segid " " and resid 7 and name HN ))
2.500 .800 .800 peak 52 spectrum 3 weight .10000E+01 volume .36050E-02 ppm1 .926 ppm2 8.268 CV 1
ASSI { 53}
( segid " " and resid 7 and name HD2%)
(( segid " " and resid 7 and name HN ))
3.000 1.100 1.100 peak 53 spectrum 3 weight .10000E+01 volume .14279E-02 ppm1 .790 ppm2 8.268 CV 1
ASSI { 54}
(( segid " " and resid 7 and name HG ))
(( segid " " and resid 7 and name HN ))
2.700 .900 .900 peak 54 spectrum 3 weight .10000E+01 volume .27294E-02 ppm1 1.551 ppm2 8.268 CV 1
ASSI { 58}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 8 and name HN ))
2.800 1.000 1.000 peak 58 spectrum 3 weight .10000E+01 volume .18804E-02 ppm1 4.065 ppm2 8.039 CV 1
ASSI { 59}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 8 and name HN ))
2.500 .800 .800 peak 59 spectrum 3 weight .10000E+01 volume .42662E-02 ppm1 4.197 ppm2 8.037 CV 1
ASSI { 60}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 8 and name HN ))
3.100 1.200 1.200 peak 60 spectrum 3 weight .10000E+01 volume .10693E-02 ppm1 4.240 ppm2 8.037 CV 1
ASSI { 61}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 8 and name HN ))
3.200 1.300 1.300 peak 61 spectrum 3 weight .10000E+01 volume .92002E-03 ppm1 8.216 ppm2 8.038 CV 1
ASSI { 62}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
2.800 1.000 1.000 peak 62 spectrum 3 weight .10000E+01 volume .18804E-02 ppm1 4.064 ppm2 8.038 CV 1
ASSI { 63}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 8 and name HN ))
2.900 1.100 1.100 peak 63 spectrum 3 weight .10000E+01 volume .16113E-02 ppm1 1.914 ppm2 8.033 CV 1
ASSI { 64}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 8 and name HN ))
3.100 1.200 1.200 peak 64 spectrum 3 weight .10000E+01 volume .10394E-02 ppm1 1.774 ppm2 8.039 CV 1
ASSI { 65}
( segid " " and resid 7 and name HD1%)
(( segid " " and resid 8 and name HN ))
2.900 1.100 1.100 peak 65 spectrum 3 weight .10000E+01 volume .15124E-02 ppm1 .928 ppm2 8.038 CV 1
ASSI { 66}
( segid " " and resid 7 and name HD2%)
(( segid " " and resid 8 and name HN ))
3.400 1.400 1.400 peak 66 spectrum 3 weight .10000E+01 volume .65690E-03 ppm1 .791 ppm2 8.038 CV 1
ASSI { 67}
(( segid " " and resid 7 and name HG ))
(( segid " " and resid 8 and name HN ))
2.800 .900 .900 peak 67 spectrum 3 weight .10000E+01 volume .22096E-02 ppm1 1.550 ppm2 8.038 CV 1
ASSI { 68}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 8 and name HN ))
2.700 .900 .900 peak 68 spectrum 3 weight .10000E+01 volume .24399E-02 ppm1 8.269 ppm2 8.039 CV 1
ASSI { 69}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
2.400 .700 .700 peak 69 spectrum 3 weight .10000E+01 volume .55732E-02 ppm1 4.180 ppm2 8.038 CV 1
ASSI { 70}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
2.900 1.000 1.000 peak 70 spectrum 3 weight .10000E+01 volume .17352E-02 ppm1 2.290 ppm2 8.038 CV 1
ASSI { 71}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HN ))
2.400 .700 .700 peak 71 spectrum 3 weight .10000E+01 volume .54019E-02 ppm1 2.174 ppm2 8.038 CV 1
ASSI { 72}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 8 and name HN ))
2.900 1.000 1.000 peak 72 spectrum 3 weight .10000E+01 volume .16876E-02 ppm1 2.465 ppm2 8.037 CV 1
OR { 72}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 8 and name HN ))
ASSI { 75}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 8 and name HN ))
2.900 1.000 1.000 peak 75 spectrum 3 weight .10000E+01 volume .17333E-02 ppm1 8.087 ppm2 8.038 CV 1
ASSI { 76}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 9 and name HN ))
2.600 .900 .900 peak 76 spectrum 3 weight .10000E+01 volume .30533E-02 ppm1 4.200 ppm2 7.828 CV 1
ASSI { 77}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 9 and name HN ))
2.800 1.000 1.000 peak 77 spectrum 3 weight .10000E+01 volume .21113E-02 ppm1 4.240 ppm2 7.829 CV 1
ASSI { 78}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 9 and name HN ))
3.500 1.600 1.600 peak 78 spectrum 3 weight .10000E+01 volume .49467E-03 ppm1 4.065 ppm2 7.828 CV 1
ASSI { 79}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 9 and name HN ))
3.100 1.200 1.200 peak 79 spectrum 3 weight .10000E+01 volume .11603E-02 ppm1 8.270 ppm2 7.830 CV 1
ASSI { 80}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
2.400 .700 .700 peak 80 spectrum 3 weight .10000E+01 volume .52614E-02 ppm1 4.179 ppm2 7.828 CV 1
ASSI { 81}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HN ))
3.000 1.200 1.200 peak 81 spectrum 3 weight .10000E+01 volume .12329E-02 ppm1 2.290 ppm2 7.832 CV 1
ASSI { 82}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HN ))
2.600 .800 .800 peak 82 spectrum 3 weight .10000E+01 volume .34302E-02 ppm1 2.174 ppm2 7.831 CV 1
ASSI { 83}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 9 and name HN ))
3.200 1.200 1.200 peak 83 spectrum 3 weight .10000E+01 volume .97653E-03 ppm1 2.466 ppm2 7.829 CV 1
OR { 83}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 9 and name HN ))
ASSI { 84}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
2.600 .800 .800 peak 84 spectrum 3 weight .10000E+01 volume .33489E-02 ppm1 8.039 ppm2 7.830 CV 1
ASSI { 85}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
2.300 .600 .600 peak 85 spectrum 3 weight .10000E+01 volume .70317E-02 ppm1 4.156 ppm2 7.828 CV 1
ASSI { 86}
( segid " " and resid 9 and name HB% )
(( segid " " and resid 9 and name HN ))
2.100 .600 .600 peak 86 spectrum 3 weight .10000E+01 volume .10830E-01 ppm1 1.553 ppm2 7.830 CV 1
ASSI { 88}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 9 and name HN ))
2.900 1.000 1.000 peak 88 spectrum 3 weight .10000E+01 volume .17635E-02 ppm1 1.790 ppm2 7.829 CV 1
ASSI { 89}
(( segid " " and resid 10 and name HG13))
(( segid " " and resid 9 and name HN ))
3.400 1.400 1.400 peak 89 spectrum 3 weight .10000E+01 volume .65922E-03 ppm1 .935 ppm2 7.829 CV 1
ASSI { 90}
( segid " " and resid 10 and name HG2%)
(( segid " " and resid 9 and name HN ))
3.100 1.200 1.200 peak 90 spectrum 3 weight .10000E+01 volume .11616E-02 ppm1 .792 ppm2 7.829 CV 1
ASSI { 91}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 10 and name HN ))
3.100 1.200 1.200 peak 91 spectrum 3 weight .10000E+01 volume .10459E-02 ppm1 4.067 ppm2 8.087 CV 1
ASSI { 92}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 10 and name HN ))
3.200 1.300 1.300 peak 92 spectrum 3 weight .10000E+01 volume .84746E-03 ppm1 4.179 ppm2 8.088 CV 1
ASSI { 94}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
3.300 1.400 1.400 peak 94 spectrum 3 weight .10000E+01 volume .74052E-03 ppm1 4.149 ppm2 8.087 CV 1
ASSI { 95}
( segid " " and resid 9 and name HB% )
(( segid " " and resid 10 and name HN ))
2.700 .900 .900 peak 95 spectrum 3 weight .10000E+01 volume .23786E-02 ppm1 1.552 ppm2 8.086 CV 1
ASSI { 96}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
3.000 1.100 1.100 peak 96 spectrum 3 weight .10000E+01 volume .14201E-02 ppm1 7.833 ppm2 8.084 CV 1
ASSI { 97}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
2.800 1.000 1.000 peak 97 spectrum 3 weight .10000E+01 volume .18903E-02 ppm1 3.373 ppm2 8.089 CV 1
ASSI { 98}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 10 and name HN ))
2.500 .800 .800 peak 98 spectrum 3 weight .10000E+01 volume .38996E-02 ppm1 1.786 ppm2 8.086 CV 1
ASSI { 99}
( segid " " and resid 10 and name HD1%)
(( segid " " and resid 10 and name HN ))
2.900 1.100 1.100 peak 99 spectrum 3 weight .10000E+01 volume .16057E-02 ppm1 .504 ppm2 8.087 CV 1
ASSI { 100}
(( segid " " and resid 10 and name HG12))
(( segid " " and resid 10 and name HN ))
3.000 1.100 1.100 peak 100 spectrum 3 weight .10000E+01 volume .12837E-02 ppm1 .996 ppm2 8.086 CV 1
ASSI { 101}
(( segid " " and resid 10 and name HG13))
(( segid " " and resid 10 and name HN ))
3.200 1.300 1.300 peak 101 spectrum 3 weight .10000E+01 volume .90591E-03 ppm1 .929 ppm2 8.086 CV 1
ASSI { 102}
( segid " " and resid 10 and name HG2%)
(( segid " " and resid 10 and name HN ))
2.700 .900 .900 peak 102 spectrum 3 weight .10000E+01 volume .25399E-02 ppm1 .780 ppm2 8.086 CV 1
ASSI { 103}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 10 and name HN ))
3.400 1.400 1.400 peak 103 spectrum 3 weight .10000E+01 volume .67260E-03 ppm1 8.162 ppm2 8.085 CV 1
ASSI { 104}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 11 and name HN ))
3.200 1.300 1.300 peak 104 spectrum 3 weight .10000E+01 volume .89659E-03 ppm1 4.067 ppm2 8.076 CV 1
ASSI { 105}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 11 and name HN ))
2.900 1.000 1.000 peak 105 spectrum 3 weight .10000E+01 volume .17524E-02 ppm1 4.180 ppm2 8.076 CV 1
ASSI { 106}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 11 and name HN ))
2.900 1.000 1.000 peak 106 spectrum 3 weight .10000E+01 volume .16902E-02 ppm1 4.150 ppm2 8.076 CV 1
ASSI { 107}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 11 and name HN ))
3.600 1.600 1.600 peak 107 spectrum 3 weight .10000E+01 volume .46518E-03 ppm1 7.823 ppm2 8.075 CV 1
ASSI { 108}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
3.200 1.300 1.300 peak 108 spectrum 3 weight .10000E+01 volume .94731E-03 ppm1 3.373 ppm2 8.076 CV 1
ASSI { 109}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 11 and name HN ))
2.800 1.000 1.000 peak 109 spectrum 3 weight .10000E+01 volume .19947E-02 ppm1 1.787 ppm2 8.076 CV 1
ASSI { 110}
( segid " " and resid 10 and name HD1%)
(( segid " " and resid 11 and name HN ))
2.900 1.100 1.100 peak 110 spectrum 3 weight .10000E+01 volume .15103E-02 ppm1 .495 ppm2 8.075 CV 1
ASSI { 111}
(( segid " " and resid 10 and name HG13))
(( segid " " and resid 11 and name HN ))
3.300 1.300 1.300 peak 111 spectrum 3 weight .10000E+01 volume .78997E-03 ppm1 .931 ppm2 8.077 CV 1
ASSI { 112}
( segid " " and resid 10 and name HG2%)
(( segid " " and resid 11 and name HN ))
3.200 1.300 1.300 peak 112 spectrum 3 weight .10000E+01 volume .84860E-03 ppm1 .789 ppm2 8.074 CV 1
ASSI { 113}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
2.800 1.000 1.000 peak 113 spectrum 3 weight .10000E+01 volume .21562E-02 ppm1 4.593 ppm2 8.076 CV 1
ASSI { 114}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HN ))
2.300 .600 .600 peak 114 spectrum 3 weight .10000E+01 volume .70204E-02 ppm1 2.881 ppm2 8.076 CV 1
OR { 114}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HN ))
ASSI { 115}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HN ))
2.600 .900 .900 peak 115 spectrum 3 weight .10000E+01 volume .29410E-02 ppm1 8.167 ppm2 8.078 CV 1
ASSI { 116}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 116 spectrum 3 weight .10000E+01 volume .19654E-02 ppm1 4.181 ppm2 8.169 CV 1
ASSI { 117}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 117 spectrum 3 weight .10000E+01 volume .19760E-02 ppm1 4.152 ppm2 8.169 CV 1
ASSI { 118}
( segid " " and resid 9 and name HB% )
(( segid " " and resid 12 and name HN ))
3.200 1.300 1.300 peak 118 spectrum 3 weight .10000E+01 volume .86224E-03 ppm1 1.554 ppm2 8.168 CV 1
ASSI { 119}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 12 and name HN ))
3.300 1.400 1.400 peak 119 spectrum 3 weight .10000E+01 volume .74115E-03 ppm1 3.374 ppm2 8.170 CV 1
ASSI { 120}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
3.100 1.200 1.200 peak 120 spectrum 3 weight .10000E+01 volume .11466E-02 ppm1 4.595 ppm2 8.164 CV 1
ASSI { 121}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 12 and name HN ))
2.500 .800 .800 peak 121 spectrum 3 weight .10000E+01 volume .36476E-02 ppm1 2.879 ppm2 8.168 CV 1
OR { 121}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HN ))
ASSI { 122}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.600 .800 .800 peak 122 spectrum 3 weight .10000E+01 volume .32304E-02 ppm1 4.068 ppm2 8.169 CV 1
ASSI { 123}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HN ))
2.500 .800 .800 peak 123 spectrum 3 weight .10000E+01 volume .39822E-02 ppm1 2.267 ppm2 8.170 CV 1
ASSI { 124}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HN ))
2.500 .800 .800 peak 124 spectrum 3 weight .10000E+01 volume .39614E-02 ppm1 2.197 ppm2 8.170 CV 1
ASSI { 125}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HN ))
2.700 .900 .900 peak 125 spectrum 3 weight .10000E+01 volume .23947E-02 ppm1 2.612 ppm2 8.170 CV 1
ASSI { 126}
(( segid " " and resid 12 and name HG3 ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 126 spectrum 3 weight .10000E+01 volume .21145E-02 ppm1 2.546 ppm2 8.170 CV 1
ASSI { 128}
( segid " " and resid 13 and name HD1%)
(( segid " " and resid 12 and name HN ))
3.400 1.400 1.400 peak 128 spectrum 3 weight .10000E+01 volume .63230E-03 ppm1 .997 ppm2 8.167 CV 1
ASSI { 129}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 12 and name HN ))
3.500 1.500 1.500 peak 129 spectrum 3 weight .10000E+01 volume .51552E-03 ppm1 .798 ppm2 8.169 CV 1
ASSI { 130}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 130 spectrum 3 weight .10000E+01 volume .19296E-02 ppm1 7.774 ppm2 8.169 CV 1
ASSI { 131}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 12 and name HN ))
3.500 1.600 1.600 peak 131 spectrum 3 weight .10000E+01 volume .49554E-03 ppm1 9.213 ppm2 8.164 CV 1
ASSI { 132}
( segid " " and resid 15 and name HD1%)
(( segid " " and resid 12 and name HN ))
3.300 1.400 1.400 peak 132 spectrum 3 weight .10000E+01 volume .75669E-03 ppm1 .486 ppm2 8.168 CV 1
OR { 132}
( segid " " and resid 15 and name HD2%)
(( segid " " and resid 12 and name HN ))
ASSI { 133}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HE21))
3.300 1.300 1.300 peak 133 spectrum 3 weight .10000E+01 volume .79160E-03 ppm1 2.267 ppm2 7.688 CV 1
ASSI { 134}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HE22))
3.400 1.400 1.400 peak 134 spectrum 3 weight .10000E+01 volume .64848E-03 ppm1 2.266 ppm2 6.788 CV 1
ASSI { 135}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HE21))
3.300 1.400 1.400 peak 135 spectrum 3 weight .10000E+01 volume .70626E-03 ppm1 2.197 ppm2 7.688 CV 1
ASSI { 136}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HE22))
3.300 1.400 1.400 peak 136 spectrum 3 weight .10000E+01 volume .71673E-03 ppm1 2.197 ppm2 6.788 CV 1
ASSI { 141}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HE21))
3.100 1.200 1.200 peak 141 spectrum 3 weight .10000E+01 volume .11682E-02 ppm1 2.612 ppm2 7.688 CV 1
ASSI { 142}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HE22))
3.100 1.200 1.200 peak 142 spectrum 3 weight .10000E+01 volume .11153E-02 ppm1 2.611 ppm2 6.788 CV 1
ASSI { 143}
(( segid " " and resid 12 and name HG3 ))
(( segid " " and resid 12 and name HE21))
3.000 1.100 1.100 peak 143 spectrum 3 weight .10000E+01 volume .13052E-02 ppm1 2.545 ppm2 7.688 CV 1
ASSI { 144}
(( segid " " and resid 12 and name HG3 ))
(( segid " " and resid 12 and name HE22))
3.100 1.200 1.200 peak 144 spectrum 3 weight .10000E+01 volume .10775E-02 ppm1 2.546 ppm2 6.788 CV 1
ASSI { 145}
( segid " " and resid 15 and name HD1%)
(( segid " " and resid 12 and name HE21))
3.200 1.200 1.200 peak 145 spectrum 3 weight .10000E+01 volume .98178E-03 ppm1 .492 ppm2 7.686 CV 1
OR { 145}
( segid " " and resid 15 and name HD2%)
(( segid " " and resid 12 and name HE21))
ASSI { 146}
( segid " " and resid 15 and name HD1%)
(( segid " " and resid 12 and name HE22))
3.000 1.100 1.100 peak 146 spectrum 3 weight .10000E+01 volume .12849E-02 ppm1 .492 ppm2 6.789 CV 1
OR { 146}
( segid " " and resid 15 and name HD2%)
(( segid " " and resid 12 and name HE22))
ASSI { 147}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 13 and name HN ))
3.300 1.400 1.400 peak 147 spectrum 3 weight .10000E+01 volume .68975E-03 ppm1 3.376 ppm2 7.765 CV 1
ASSI { 148}
( segid " " and resid 10 and name HD1%)
(( segid " " and resid 13 and name HN ))
3.500 1.600 1.600 peak 148 spectrum 3 weight .10000E+01 volume .49465E-03 ppm1 .504 ppm2 7.767 CV 1
ASSI { 149}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 13 and name HN ))
3.600 1.700 1.700 peak 149 spectrum 3 weight .10000E+01 volume .41780E-03 ppm1 4.595 ppm2 7.771 CV 1
ASSI { 150}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HN ))
3.200 1.300 1.300 peak 150 spectrum 3 weight .10000E+01 volume .84353E-03 ppm1 4.070 ppm2 7.766 CV 1
ASSI { 151}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 13 and name HN ))
3.000 1.100 1.100 peak 151 spectrum 3 weight .10000E+01 volume .12772E-02 ppm1 2.266 ppm2 7.765 CV 1
ASSI { 152}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 13 and name HN ))
3.000 1.200 1.200 peak 152 spectrum 3 weight .10000E+01 volume .12338E-02 ppm1 2.198 ppm2 7.765 CV 1
ASSI { 153}
(( segid " " and resid 12 and name HG3 ))
(( segid " " and resid 13 and name HN ))
3.500 1.600 1.600 peak 153 spectrum 3 weight .10000E+01 volume .49845E-03 ppm1 2.543 ppm2 7.763 CV 1
ASSI { 155}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
2.900 1.100 1.100 peak 155 spectrum 3 weight .10000E+01 volume .16290E-02 ppm1 4.249 ppm2 7.766 CV 1
ASSI { 156}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HN ))
2.800 1.000 1.000 peak 156 spectrum 3 weight .10000E+01 volume .19185E-02 ppm1 1.837 ppm2 7.764 CV 1
OR { 156}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HN ))
ASSI { 157}
( segid " " and resid 13 and name HD1%)
(( segid " " and resid 13 and name HN ))
3.000 1.100 1.100 peak 157 spectrum 3 weight .10000E+01 volume .13312E-02 ppm1 1.023 ppm2 7.761 CV 1
ASSI { 158}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 13 and name HN ))
3.000 1.100 1.100 peak 158 spectrum 3 weight .10000E+01 volume .14585E-02 ppm1 .814 ppm2 7.761 CV 1
ASSI { 159}
(( segid " " and resid 13 and name HG ))
(( segid " " and resid 13 and name HN ))
3.000 1.200 1.200 peak 159 spectrum 3 weight .10000E+01 volume .12395E-02 ppm1 2.014 ppm2 7.764 CV 1
ASSI { 162}
( segid " " and resid 10 and name HD1%)
(( segid " " and resid 14 and name HN ))
3.200 1.300 1.300 peak 162 spectrum 3 weight .10000E+01 volume .85238E-03 ppm1 .503 ppm2 9.221 CV 1
ASSI { 163}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 14 and name HN ))
2.600 .800 .800 peak 163 spectrum 3 weight .10000E+01 volume .34263E-02 ppm1 4.592 ppm2 9.224 CV 1
ASSI { 164}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 14 and name HN ))
3.300 1.400 1.400 peak 164 spectrum 3 weight .10000E+01 volume .73420E-03 ppm1 4.066 ppm2 9.223 CV 1
ASSI { 165}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
3.000 1.200 1.200 peak 165 spectrum 3 weight .10000E+01 volume .12144E-02 ppm1 4.248 ppm2 9.223 CV 1
ASSI { 166}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 14 and name HN ))
3.300 1.300 1.300 peak 166 spectrum 3 weight .10000E+01 volume .77061E-03 ppm1 1.837 ppm2 9.220 CV 1
OR { 166}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 14 and name HN ))
ASSI { 167}
( segid " " and resid 13 and name HD1%)
(( segid " " and resid 14 and name HN ))
3.300 1.300 1.300 peak 167 spectrum 3 weight .10000E+01 volume .79035E-03 ppm1 1.022 ppm2 9.221 CV 1
ASSI { 168}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 14 and name HN ))
3.300 1.300 1.300 peak 168 spectrum 3 weight .10000E+01 volume .79162E-03 ppm1 .815 ppm2 9.221 CV 1
ASSI { 169}
(( segid " " and resid 13 and name HG ))
(( segid " " and resid 14 and name HN ))
3.200 1.200 1.200 peak 169 spectrum 3 weight .10000E+01 volume .97478E-03 ppm1 2.013 ppm2 9.220 CV 1
ASSI { 170}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HN ))
2.800 1.000 1.000 peak 170 spectrum 3 weight .10000E+01 volume .18496E-02 ppm1 7.776 ppm2 9.222 CV 1
ASSI { 171}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.600 .900 .900 peak 171 spectrum 3 weight .10000E+01 volume .28177E-02 ppm1 4.573 ppm2 9.224 CV 1
ASSI { 172}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
2.800 1.000 1.000 peak 172 spectrum 3 weight .10000E+01 volume .19440E-02 ppm1 3.902 ppm2 9.223 CV 1
ASSI { 173}
(( segid " " and resid 14 and name HD2 ))
(( segid " " and resid 14 and name HN ))
3.200 1.300 1.300 peak 173 spectrum 3 weight .10000E+01 volume .84115E-03 ppm1 6.824 ppm2 9.224 CV 1
ASSI { 175}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
2.900 1.100 1.100 peak 175 spectrum 3 weight .10000E+01 volume .15406E-02 ppm1 8.696 ppm2 9.223 CV 1
ASSI { 176}
( segid " " and resid 95 and name HD% )
(( segid " " and resid 14 and name HN ))
3.600 1.600 1.600 peak 176 spectrum 3 weight .10000E+01 volume .47278E-03 ppm1 7.060 ppm2 9.222 CV 1
ASSI { 177}
( segid " " and resid 95 and name HE% )
(( segid " " and resid 14 and name HN ))
3.500 1.500 1.500 peak 177 spectrum 3 weight .10000E+01 volume .54172E-03 ppm1 6.991 ppm2 9.223 CV 1
ASSI { 178}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 15 and name HN ))
3.100 1.200 1.200 peak 178 spectrum 3 weight .10000E+01 volume .10573E-02 ppm1 4.595 ppm2 8.691 CV 1
ASSI { 179}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 15 and name HN ))
2.900 1.100 1.100 peak 179 spectrum 3 weight .10000E+01 volume .16103E-02 ppm1 4.068 ppm2 8.689 CV 1
ASSI { 180}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
3.200 1.300 1.300 peak 180 spectrum 3 weight .10000E+01 volume .91726E-03 ppm1 4.575 ppm2 8.692 CV 1
ASSI { 181}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.000 1.200 1.200 peak 181 spectrum 3 weight .10000E+01 volume .12177E-02 ppm1 3.374 ppm2 8.693 CV 1
ASSI { 183}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
2.600 .900 .900 peak 183 spectrum 3 weight .10000E+01 volume .29629E-02 ppm1 1.644 ppm2 8.688 CV 1
ASSI { 184}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HN ))
2.700 .900 .900 peak 184 spectrum 3 weight .10000E+01 volume .25964E-02 ppm1 1.517 ppm2 8.688 CV 1
ASSI { 185}
( segid " " and resid 15 and name HD2%)
(( segid " " and resid 15 and name HN ))
2.800 1.000 1.000 peak 185 spectrum 3 weight .10000E+01 volume .21734E-02 ppm1 .490 ppm2 8.689 CV 1
OR { 185}
( segid " " and resid 15 and name HD1%)
(( segid " " and resid 15 and name HN ))
ASSI { 186}
(( segid " " and resid 15 and name HG ))
(( segid " " and resid 15 and name HN ))
3.000 1.100 1.100 peak 186 spectrum 3 weight .10000E+01 volume .13894E-02 ppm1 1.392 ppm2 8.688 CV 1
ASSI { 189}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HN ))
3.500 1.600 1.600 peak 189 spectrum 3 weight .10000E+01 volume .49969E-03 ppm1 9.084 ppm2 8.692 CV 1
ASSI { 190}
( segid " " and resid 95 and name HD% )
(( segid " " and resid 15 and name HN ))
3.400 1.400 1.400 peak 190 spectrum 3 weight .10000E+01 volume .64834E-03 ppm1 7.060 ppm2 8.687 CV 1
ASSI { 191}
( segid " " and resid 95 and name HE% )
(( segid " " and resid 15 and name HN ))
3.000 1.200 1.200 peak 191 spectrum 3 weight .10000E+01 volume .12257E-02 ppm1 6.992 ppm2 8.687 CV 1
ASSI { 192}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 16 and name HN ))
2.600 .800 .800 peak 192 spectrum 3 weight .10000E+01 volume .32999E-02 ppm1 4.070 ppm2 8.286 CV 1
ASSI { 193}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HN ))
3.300 1.300 1.300 peak 193 spectrum 3 weight .10000E+01 volume .79855E-03 ppm1 4.252 ppm2 8.285 CV 1
ASSI { 194}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 16 and name HN ))
3.300 1.400 1.400 peak 194 spectrum 3 weight .10000E+01 volume .68744E-03 ppm1 4.573 ppm2 8.286 CV 1
ASSI { 195}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 16 and name HN ))
3.500 1.500 1.500 peak 195 spectrum 3 weight .10000E+01 volume .56113E-03 ppm1 9.227 ppm2 8.286 CV 1
ASSI { 196}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
2.900 1.000 1.000 peak 196 spectrum 3 weight .10000E+01 volume .18063E-02 ppm1 3.904 ppm2 8.286 CV 1
ASSI { 197}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
2.800 1.000 1.000 peak 197 spectrum 3 weight .10000E+01 volume .21803E-02 ppm1 1.660 ppm2 8.286 CV 1
ASSI { 198}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 16 and name HN ))
2.900 1.100 1.100 peak 198 spectrum 3 weight .10000E+01 volume .16061E-02 ppm1 1.505 ppm2 8.286 CV 1
ASSI { 199}
( segid " " and resid 15 and name HD2%)
(( segid " " and resid 16 and name HN ))
3.000 1.200 1.200 peak 199 spectrum 3 weight .10000E+01 volume .12391E-02 ppm1 .488 ppm2 8.286 CV 1
OR { 199}
( segid " " and resid 15 and name HD1%)
(( segid " " and resid 16 and name HN ))
ASSI { 200}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
2.700 .900 .900 peak 200 spectrum 3 weight .10000E+01 volume .23483E-02 ppm1 8.688 ppm2 8.284 CV 1
ASSI { 201}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
2.600 .800 .800 peak 201 spectrum 3 weight .10000E+01 volume .35076E-02 ppm1 4.043 ppm2 8.286 CV 1
ASSI { 202}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
2.500 .800 .800 peak 202 spectrum 3 weight .10000E+01 volume .36284E-02 ppm1 2.250 ppm2 8.286 CV 1
ASSI { 203}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HN ))
2.600 .800 .800 peak 203 spectrum 3 weight .10000E+01 volume .31431E-02 ppm1 2.177 ppm2 8.286 CV 1
ASSI { 204}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HN ))
2.700 .900 .900 peak 204 spectrum 3 weight .10000E+01 volume .24040E-02 ppm1 2.400 ppm2 8.286 CV 1
OR { 204}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HN ))
ASSI { 206}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
2.800 1.000 1.000 peak 206 spectrum 3 weight .10000E+01 volume .19454E-02 ppm1 9.089 ppm2 8.289 CV 1
ASSI { 207}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 16 and name HN ))
3.000 1.100 1.100 peak 207 spectrum 3 weight .10000E+01 volume .14428E-02 ppm1 8.422 ppm2 8.285 CV 1
ASSI { 208}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HN ))
3.200 1.300 1.300 peak 208 spectrum 3 weight .10000E+01 volume .90071E-03 ppm1 4.582 ppm2 9.079 CV 1
ASSI { 209}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 17 and name HN ))
2.900 1.100 1.100 peak 209 spectrum 3 weight .10000E+01 volume .15111E-02 ppm1 3.906 ppm2 9.080 CV 1
ASSI { 211}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 211 spectrum 3 weight .10000E+01 volume .10020E-02 ppm1 4.040 ppm2 9.080 CV 1
ASSI { 212}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.000 1.100 1.100 peak 212 spectrum 3 weight .10000E+01 volume .13602E-02 ppm1 2.250 ppm2 9.080 CV 1
ASSI { 213}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 213 spectrum 3 weight .10000E+01 volume .11427E-02 ppm1 2.177 ppm2 9.080 CV 1
ASSI { 214}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 214 spectrum 3 weight .10000E+01 volume .11088E-02 ppm1 2.402 ppm2 9.081 CV 1
OR { 214}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 17 and name HN ))
ASSI { 216}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
2.700 .900 .900 peak 216 spectrum 3 weight .10000E+01 volume .22658E-02 ppm1 3.938 ppm2 9.079 CV 1
ASSI { 217}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HN ))
2.800 1.000 1.000 peak 217 spectrum 3 weight .10000E+01 volume .19754E-02 ppm1 3.363 ppm2 9.079 CV 1
ASSI { 218}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HN ))
2.900 1.100 1.100 peak 218 spectrum 3 weight .10000E+01 volume .15840E-02 ppm1 3.211 ppm2 9.079 CV 1
ASSI { 219}
( segid " " and resid 17 and name HD% )
(( segid " " and resid 17 and name HN ))
3.000 1.100 1.100 peak 219 spectrum 3 weight .10000E+01 volume .13220E-02 ppm1 7.176 ppm2 9.085 CV 1
ASSI { 221}
( segid " " and resid 74 and name HG2%)
(( segid " " and resid 17 and name HN ))
2.800 1.000 1.000 peak 221 spectrum 3 weight .10000E+01 volume .20973E-02 ppm1 1.220 ppm2 9.080 CV 1
ASSI { 222}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 18 and name HN ))
3.700 1.700 1.700 peak 222 spectrum 3 weight .10000E+01 volume .39224E-03 ppm1 4.577 ppm2 8.423 CV 1
ASSI { 223}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 18 and name HN ))
2.800 .900 .900 peak 223 spectrum 3 weight .10000E+01 volume .22251E-02 ppm1 3.907 ppm2 8.423 CV 1
ASSI { 224}
( segid " " and resid 15 and name HD2%)
(( segid " " and resid 18 and name HN ))
3.400 1.400 1.400 peak 224 spectrum 3 weight .10000E+01 volume .64150E-03 ppm1 .484 ppm2 8.423 CV 1
OR { 224}
( segid " " and resid 15 and name HD1%)
(( segid " " and resid 18 and name HN ))
ASSI { 225}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 18 and name HN ))
3.200 1.300 1.300 peak 225 spectrum 3 weight .10000E+01 volume .89597E-03 ppm1 4.041 ppm2 8.423 CV 1
ASSI { 226}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 18 and name HN ))
3.100 1.200 1.200 peak 226 spectrum 3 weight .10000E+01 volume .11221E-02 ppm1 3.364 ppm2 8.420 CV 1
ASSI { 227}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 18 and name HN ))
3.200 1.300 1.300 peak 227 spectrum 3 weight .10000E+01 volume .89191E-03 ppm1 3.212 ppm2 8.420 CV 1
ASSI { 228}
( segid " " and resid 17 and name HD% )
(( segid " " and resid 18 and name HN ))
2.900 1.100 1.100 peak 228 spectrum 3 weight .10000E+01 volume .14953E-02 ppm1 7.177 ppm2 8.424 CV 1
ASSI { 229}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
3.000 1.100 1.100 peak 229 spectrum 3 weight .10000E+01 volume .13623E-02 ppm1 9.089 ppm2 8.423 CV 1
ASSI { 230}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 18 and name HN ))
2.400 .700 .700 peak 230 spectrum 3 weight .10000E+01 volume .50961E-02 ppm1 1.721 ppm2 8.423 CV 1
ASSI { 231}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 19 and name HN ))
3.200 1.300 1.300 peak 231 spectrum 3 weight .10000E+01 volume .93376E-03 ppm1 3.907 ppm2 8.418 CV 1
ASSI { 232}
( segid " " and resid 15 and name HD2%)
(( segid " " and resid 19 and name HN ))
3.400 1.400 1.400 peak 232 spectrum 3 weight .10000E+01 volume .68356E-03 ppm1 .488 ppm2 8.415 CV 1
OR { 232}
( segid " " and resid 15 and name HD1%)
(( segid " " and resid 19 and name HN ))
ASSI { 233}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 19 and name HN ))
2.400 .700 .700 peak 233 spectrum 3 weight .10000E+01 volume .51278E-02 ppm1 4.041 ppm2 8.417 CV 1
ASSI { 234}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 19 and name HN ))
3.000 1.100 1.100 peak 234 spectrum 3 weight .10000E+01 volume .14167E-02 ppm1 3.937 ppm2 8.418 CV 1
ASSI { 235}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
2.900 1.100 1.100 peak 235 spectrum 3 weight .10000E+01 volume .15112E-02 ppm1 3.950 ppm2 8.418 CV 1
ASSI { 236}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 19 and name HN ))
2.500 .800 .800 peak 236 spectrum 3 weight .10000E+01 volume .35505E-02 ppm1 1.714 ppm2 8.417 CV 1
ASSI { 237}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
2.300 .700 .700 peak 237 spectrum 3 weight .10000E+01 volume .66856E-02 ppm1 4.064 ppm2 8.417 CV 1
ASSI { 238}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HN ))
2.400 .700 .700 peak 238 spectrum 3 weight .10000E+01 volume .45067E-02 ppm1 1.991 ppm2 8.417 CV 1
ASSI { 239}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HN ))
2.500 .800 .800 peak 239 spectrum 3 weight .10000E+01 volume .42290E-02 ppm1 1.951 ppm2 8.417 CV 1
ASSI { 240}
(( segid " " and resid 19 and name HD2 ))
(( segid " " and resid 19 and name HN ))
2.400 .700 .700 peak 240 spectrum 3 weight .10000E+01 volume .51895E-02 ppm1 1.668 ppm2 8.417 CV 1
OR { 240}
(( segid " " and resid 19 and name HD3 ))
(( segid " " and resid 19 and name HN ))
ASSI { 241}
(( segid " " and resid 19 and name HE3 ))
(( segid " " and resid 19 and name HN ))
3.500 1.500 1.500 peak 241 spectrum 3 weight .10000E+01 volume .51614E-03 ppm1 2.907 ppm2 8.416 CV 1
OR { 241}
(( segid " " and resid 19 and name HE2 ))
(( segid " " and resid 19 and name HN ))
ASSI { 242}
(( segid " " and resid 19 and name HG3 ))
(( segid " " and resid 19 and name HN ))
3.000 1.100 1.100 peak 242 spectrum 3 weight .10000E+01 volume .13352E-02 ppm1 1.482 ppm2 8.417 CV 1
OR { 242}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 19 and name HN ))
ASSI { 243}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HN ))
3.000 1.200 1.200 peak 243 spectrum 3 weight .10000E+01 volume .12446E-02 ppm1 7.557 ppm2 8.417 CV 1
ASSI { 244}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 19 and name HN ))
3.300 1.400 1.400 peak 244 spectrum 3 weight .10000E+01 volume .68605E-03 ppm1 9.545 ppm2 8.418 CV 1
ASSI { 245}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 20 and name HN ))
3.100 1.200 1.200 peak 245 spectrum 3 weight .10000E+01 volume .11688E-02 ppm1 4.043 ppm2 7.559 CV 1
ASSI { 246}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 20 and name HN ))
3.300 1.400 1.400 peak 246 spectrum 3 weight .10000E+01 volume .71503E-03 ppm1 3.937 ppm2 7.559 CV 1
ASSI { 247}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 20 and name HN ))
3.300 1.400 1.400 peak 247 spectrum 3 weight .10000E+01 volume .75744E-03 ppm1 3.949 ppm2 7.559 CV 1
ASSI { 248}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
3.100 1.200 1.200 peak 248 spectrum 3 weight .10000E+01 volume .10700E-02 ppm1 4.064 ppm2 7.558 CV 1
ASSI { 249}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.800 1.000 1.000 peak 249 spectrum 3 weight .10000E+01 volume .20914E-02 ppm1 1.992 ppm2 7.557 CV 1
ASSI { 250}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 20 and name HN ))
2.900 1.000 1.000 peak 250 spectrum 3 weight .10000E+01 volume .17623E-02 ppm1 1.950 ppm2 7.557 CV 1
ASSI { 251}
(( segid " " and resid 19 and name HD2 ))
(( segid " " and resid 20 and name HN ))
2.800 1.000 1.000 peak 251 spectrum 3 weight .10000E+01 volume .21557E-02 ppm1 1.667 ppm2 7.559 CV 1
OR { 251}
(( segid " " and resid 19 and name HD3 ))
(( segid " " and resid 20 and name HN ))
ASSI { 252}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
2.900 1.000 1.000 peak 252 spectrum 3 weight .10000E+01 volume .16676E-02 ppm1 4.388 ppm2 7.560 CV 1
ASSI { 253}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.800 1.000 1.000 peak 253 spectrum 3 weight .10000E+01 volume .21054E-02 ppm1 1.967 ppm2 7.558 CV 1
ASSI { 254}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
2.900 1.100 1.100 peak 254 spectrum 3 weight .10000E+01 volume .16014E-02 ppm1 1.694 ppm2 7.559 CV 1
ASSI { 255}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HN ))
3.500 1.500 1.500 peak 255 spectrum 3 weight .10000E+01 volume .53355E-03 ppm1 2.880 ppm2 7.559 CV 1
OR { 255}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HN ))
ASSI { 256}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HN ))
3.100 1.200 1.200 peak 256 spectrum 3 weight .10000E+01 volume .11071E-02 ppm1 1.810 ppm2 7.559 CV 1
ASSI { 257}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HN ))
3.000 1.100 1.100 peak 257 spectrum 3 weight .10000E+01 volume .14073E-02 ppm1 1.515 ppm2 7.559 CV 1
ASSI { 259}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HN ))
2.800 .900 .900 peak 259 spectrum 3 weight .10000E+01 volume .22092E-02 ppm1 9.550 ppm2 7.554 CV 1
ASSI { 260}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 20 and name HN ))
3.500 1.500 1.500 peak 260 spectrum 3 weight .10000E+01 volume .55306E-03 ppm1 .423 ppm2 7.562 CV 1
ASSI { 261}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 21 and name HN ))
3.100 1.200 1.200 peak 261 spectrum 3 weight .10000E+01 volume .11362E-02 ppm1 3.937 ppm2 9.545 CV 1
ASSI { 262}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 21 and name HN ))
2.800 1.000 1.000 peak 262 spectrum 3 weight .10000E+01 volume .19216E-02 ppm1 3.949 ppm2 9.545 CV 1
ASSI { 263}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 21 and name HN ))
3.600 1.600 1.600 peak 263 spectrum 3 weight .10000E+01 volume .43813E-03 ppm1 4.061 ppm2 9.545 CV 1
ASSI { 265}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
3.700 1.800 1.800 peak 265 spectrum 3 weight .10000E+01 volume .34889E-03 ppm1 4.388 ppm2 9.545 CV 1
ASSI { 266}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 21 and name HN ))
3.200 1.300 1.300 peak 266 spectrum 3 weight .10000E+01 volume .96043E-03 ppm1 1.965 ppm2 9.545 CV 1
ASSI { 267}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 21 and name HN ))
3.000 1.100 1.100 peak 267 spectrum 3 weight .10000E+01 volume .12796E-02 ppm1 1.691 ppm2 9.545 CV 1
ASSI { 268}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 21 and name HN ))
3.400 1.400 1.400 peak 268 spectrum 3 weight .10000E+01 volume .62735E-03 ppm1 1.515 ppm2 9.545 CV 1
ASSI { 270}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
2.800 1.000 1.000 peak 270 spectrum 3 weight .10000E+01 volume .19666E-02 ppm1 3.972 ppm2 9.545 CV 1
ASSI { 271}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 21 and name HN ))
2.600 .900 .900 peak 271 spectrum 3 weight .10000E+01 volume .30797E-02 ppm1 .941 ppm2 9.545 CV 1
ASSI { 274}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 21 and name HN ))
3.300 1.400 1.400 peak 274 spectrum 3 weight .10000E+01 volume .72026E-03 ppm1 .424 ppm2 9.546 CV 1
ASSI { 275}
(( segid " " and resid 71 and name HG12))
(( segid " " and resid 21 and name HN ))
3.100 1.200 1.200 peak 275 spectrum 3 weight .10000E+01 volume .10609E-02 ppm1 1.705 ppm2 9.545 CV 1
OR { 275}
(( segid " " and resid 71 and name HG13))
(( segid " " and resid 21 and name HN ))
ASSI { 276}
( segid " " and resid 71 and name HG2%)
(( segid " " and resid 21 and name HN ))
3.500 1.500 1.500 peak 276 spectrum 3 weight .10000E+01 volume .55351E-03 ppm1 .586 ppm2 9.546 CV 1
ASSI { 277}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 22 and name HN ))
2.900 1.000 1.000 peak 277 spectrum 3 weight .10000E+01 volume .16796E-02 ppm1 3.949 ppm2 7.410 CV 1
ASSI { 278}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 22 and name HN ))
3.300 1.300 1.300 peak 278 spectrum 3 weight .10000E+01 volume .79824E-03 ppm1 4.064 ppm2 7.409 CV 1
ASSI { 279}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 22 and name HN ))
2.700 .900 .900 peak 279 spectrum 3 weight .10000E+01 volume .25169E-02 ppm1 4.388 ppm2 7.409 CV 1
ASSI { 280}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 22 and name HN ))
3.400 1.400 1.400 peak 280 spectrum 3 weight .10000E+01 volume .65557E-03 ppm1 7.559 ppm2 7.410 CV 1
ASSI { 281}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
2.900 1.100 1.100 peak 281 spectrum 3 weight .10000E+01 volume .14959E-02 ppm1 3.972 ppm2 7.410 CV 1
ASSI { 282}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 22 and name HN ))
2.500 .800 .800 peak 282 spectrum 3 weight .10000E+01 volume .42508E-02 ppm1 .944 ppm2 7.411 CV 1
ASSI { 283}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
2.700 .900 .900 peak 283 spectrum 3 weight .10000E+01 volume .24841E-02 ppm1 9.549 ppm2 7.410 CV 1
ASSI { 284}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
2.500 .800 .800 peak 284 spectrum 3 weight .10000E+01 volume .37822E-02 ppm1 4.422 ppm2 7.409 CV 1
ASSI { 285}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 22 and name HN ))
2.200 .600 .600 peak 285 spectrum 3 weight .10000E+01 volume .92715E-02 ppm1 1.678 ppm2 7.410 CV 1
ASSI { 287}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 22 and name HN ))
2.500 .800 .800 peak 287 spectrum 3 weight .10000E+01 volume .39484E-02 ppm1 3.788 ppm2 7.410 CV 1
ASSI { 288}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 22 and name HN ))
2.700 .900 .900 peak 288 spectrum 3 weight .10000E+01 volume .27351E-02 ppm1 3.668 ppm2 7.410 CV 1
ASSI { 289}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 22 and name HN ))
3.400 1.400 1.400 peak 289 spectrum 3 weight .10000E+01 volume .63730E-03 ppm1 2.013 ppm2 7.406 CV 1
ASSI { 290}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 22 and name HN ))
3.200 1.300 1.300 peak 290 spectrum 3 weight .10000E+01 volume .90816E-03 ppm1 2.195 ppm2 7.407 CV 1
ASSI { 292}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 24 and name HN ))
3.200 1.300 1.300 peak 292 spectrum 3 weight .10000E+01 volume .94987E-03 ppm1 4.385 ppm2 7.267 CV 1
ASSI { 293}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 24 and name HN ))
3.100 1.200 1.200 peak 293 spectrum 3 weight .10000E+01 volume .11316E-02 ppm1 3.972 ppm2 7.269 CV 1
ASSI { 294}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 24 and name HN ))
3.200 1.300 1.300 peak 294 spectrum 3 weight .10000E+01 volume .83973E-03 ppm1 4.420 ppm2 7.267 CV 1
ASSI { 295}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 24 and name HN ))
3.400 1.500 1.500 peak 295 spectrum 3 weight .10000E+01 volume .61412E-03 ppm1 7.413 ppm2 7.271 CV 1
ASSI { 296}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
2.900 1.000 1.000 peak 296 spectrum 3 weight .10000E+01 volume .17338E-02 ppm1 4.593 ppm2 7.271 CV 1
ASSI { 297}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
3.000 1.100 1.100 peak 297 spectrum 3 weight .10000E+01 volume .13650E-02 ppm1 2.313 ppm2 7.272 CV 1
ASSI { 298}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 24 and name HN ))
3.100 1.200 1.200 peak 298 spectrum 3 weight .10000E+01 volume .99471E-03 ppm1 2.460 ppm2 7.272 CV 1
ASSI { 299}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 24 and name HN ))
3.200 1.200 1.200 peak 299 spectrum 3 weight .10000E+01 volume .98499E-03 ppm1 3.789 ppm2 7.271 CV 1
ASSI { 300}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 24 and name HN ))
3.200 1.300 1.300 peak 300 spectrum 3 weight .10000E+01 volume .85290E-03 ppm1 3.669 ppm2 7.271 CV 1
ASSI { 301}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 24 and name HN ))
3.200 1.200 1.200 peak 301 spectrum 3 weight .10000E+01 volume .97284E-03 ppm1 2.015 ppm2 7.272 CV 1
ASSI { 302}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 24 and name HN ))
3.300 1.400 1.400 peak 302 spectrum 3 weight .10000E+01 volume .76526E-03 ppm1 2.197 ppm2 7.271 CV 1
ASSI { 303}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
2.800 1.000 1.000 peak 303 spectrum 3 weight .10000E+01 volume .21497E-02 ppm1 4.619 ppm2 7.271 CV 1
ASSI { 304}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HN ))
2.700 .900 .900 peak 304 spectrum 3 weight .10000E+01 volume .23958E-02 ppm1 3.454 ppm2 7.269 CV 1
ASSI { 305}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HN ))
2.800 1.000 1.000 peak 305 spectrum 3 weight .10000E+01 volume .19220E-02 ppm1 2.913 ppm2 7.269 CV 1
ASSI { 306}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 24 and name HN ))
2.900 1.000 1.000 peak 306 spectrum 3 weight .10000E+01 volume .18030E-02 ppm1 7.178 ppm2 7.270 CV 1
ASSI { 309}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 24 and name HN ))
3.300 1.300 1.300 peak 309 spectrum 3 weight .10000E+01 volume .81995E-03 ppm1 .422 ppm2 7.273 CV 1
ASSI { 310}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 25 and name HN ))
3.400 1.500 1.500 peak 310 spectrum 3 weight .10000E+01 volume .58476E-03 ppm1 3.976 ppm2 8.860 CV 1
ASSI { 311}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HN ))
2.700 .900 .900 peak 311 spectrum 3 weight .10000E+01 volume .22779E-02 ppm1 4.419 ppm2 8.861 CV 1
ASSI { 312}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 25 and name HN ))
3.600 1.600 1.600 peak 312 spectrum 3 weight .10000E+01 volume .45207E-03 ppm1 1.682 ppm2 8.862 CV 1
ASSI { 313}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 25 and name HN ))
3.000 1.200 1.200 peak 313 spectrum 3 weight .10000E+01 volume .12239E-02 ppm1 4.594 ppm2 8.860 CV 1
ASSI { 314}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
3.200 1.300 1.300 peak 314 spectrum 3 weight .10000E+01 volume .86218E-03 ppm1 4.618 ppm2 8.860 CV 1
ASSI { 315}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 25 and name HN ))
3.200 1.200 1.200 peak 315 spectrum 3 weight .10000E+01 volume .98013E-03 ppm1 3.454 ppm2 8.860 CV 1
ASSI { 316}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 25 and name HN ))
3.100 1.200 1.200 peak 316 spectrum 3 weight .10000E+01 volume .11908E-02 ppm1 2.909 ppm2 8.859 CV 1
ASSI { 317}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 25 and name HN ))
3.300 1.400 1.400 peak 317 spectrum 3 weight .10000E+01 volume .76677E-03 ppm1 7.178 ppm2 8.861 CV 1
ASSI { 318}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HN ))
2.800 1.000 1.000 peak 318 spectrum 3 weight .10000E+01 volume .19963E-02 ppm1 7.268 ppm2 8.861 CV 1
ASSI { 319}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
2.700 .900 .900 peak 319 spectrum 3 weight .10000E+01 volume .26791E-02 ppm1 4.388 ppm2 8.861 CV 1
ASSI { 320}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HN ))
2.800 1.000 1.000 peak 320 spectrum 3 weight .10000E+01 volume .21945E-02 ppm1 3.143 ppm2 8.860 CV 1
ASSI { 321}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HN ))
2.700 .900 .900 peak 321 spectrum 3 weight .10000E+01 volume .22426E-02 ppm1 2.637 ppm2 8.861 CV 1
ASSI { 322}
(( segid " " and resid 25 and name HD21))
(( segid " " and resid 25 and name HN ))
3.400 1.400 1.400 peak 322 spectrum 3 weight .10000E+01 volume .67778E-03 ppm1 7.743 ppm2 8.860 CV 1
ASSI { 323}
(( segid " " and resid 25 and name HD22))
(( segid " " and resid 25 and name HN ))
3.500 1.600 1.600 peak 323 spectrum 3 weight .10000E+01 volume .50616E-03 ppm1 6.909 ppm2 8.860 CV 1
ASSI { 326}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 25 and name HN ))
3.500 1.500 1.500 peak 326 spectrum 3 weight .10000E+01 volume .56603E-03 ppm1 8.558 ppm2 8.863 CV 1
ASSI { 327}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 25 and name HN ))
3.600 1.700 1.700 peak 327 spectrum 3 weight .10000E+01 volume .41839E-03 ppm1 .423 ppm2 8.851 CV 1
ASSI { 328}
( segid " " and resid 103 and name HD1%)
(( segid " " and resid 25 and name HN ))
2.800 1.000 1.000 peak 328 spectrum 3 weight .10000E+01 volume .18997E-02 ppm1 .929 ppm2 8.858 CV 1
ASSI { 329}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HD21))
3.600 1.600 1.600 peak 329 spectrum 3 weight .10000E+01 volume .45979E-03 ppm1 4.388 ppm2 7.734 CV 1
ASSI { 330}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HD22))
3.500 1.500 1.500 peak 330 spectrum 3 weight .10000E+01 volume .53078E-03 ppm1 4.388 ppm2 6.908 CV 1
ASSI { 331}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HD21))
3.200 1.300 1.300 peak 331 spectrum 3 weight .10000E+01 volume .90873E-03 ppm1 3.143 ppm2 7.730 CV 1
ASSI { 332}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HD22))
3.400 1.400 1.400 peak 332 spectrum 3 weight .10000E+01 volume .62627E-03 ppm1 3.142 ppm2 6.909 CV 1
ASSI { 333}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HD21))
3.500 1.500 1.500 peak 333 spectrum 3 weight .10000E+01 volume .56121E-03 ppm1 2.636 ppm2 7.731 CV 1
ASSI { 334}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HD22))
3.500 1.500 1.500 peak 334 spectrum 3 weight .10000E+01 volume .54022E-03 ppm1 2.636 ppm2 6.909 CV 1
ASSI { 339}
( segid " " and resid 98 and name HG1%)
(( segid " " and resid 25 and name HD21))
3.200 1.300 1.300 peak 339 spectrum 3 weight .10000E+01 volume .82989E-03 ppm1 .941 ppm2 7.727 CV 1
OR { 339}
( segid " " and resid 98 and name HG2%)
(( segid " " and resid 25 and name HD21))
ASSI { 340}
( segid " " and resid 98 and name HG1%)
(( segid " " and resid 25 and name HD22))
3.100 1.200 1.200 peak 340 spectrum 3 weight .10000E+01 volume .10281E-02 ppm1 .941 ppm2 6.914 CV 1
OR { 340}
( segid " " and resid 98 and name HG2%)
(( segid " " and resid 25 and name HD22))
ASSI { 341}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 26 and name HN ))
2.400 .700 .700 peak 341 spectrum 3 weight .10000E+01 volume .52243E-02 ppm1 4.419 ppm2 8.129 CV 1
ASSI { 342}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 26 and name HN ))
3.400 1.400 1.400 peak 342 spectrum 3 weight .10000E+01 volume .62797E-03 ppm1 1.680 ppm2 8.130 CV 1
ASSI { 343}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HN ))
2.800 1.000 1.000 peak 343 spectrum 3 weight .10000E+01 volume .20887E-02 ppm1 4.595 ppm2 8.129 CV 1
ASSI { 344}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 26 and name HN ))
2.900 1.000 1.000 peak 344 spectrum 3 weight .10000E+01 volume .17311E-02 ppm1 4.618 ppm2 8.129 CV 1
ASSI { 345}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 26 and name HN ))
3.500 1.600 1.600 peak 345 spectrum 3 weight .10000E+01 volume .50156E-03 ppm1 7.270 ppm2 8.129 CV 1
ASSI { 346}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
2.400 .700 .700 peak 346 spectrum 3 weight .10000E+01 volume .44978E-02 ppm1 4.392 ppm2 8.129 CV 1
ASSI { 347}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 26 and name HN ))
2.700 .900 .900 peak 347 spectrum 3 weight .10000E+01 volume .25005E-02 ppm1 3.143 ppm2 8.130 CV 1
ASSI { 348}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 26 and name HN ))
2.900 1.000 1.000 peak 348 spectrum 3 weight .10000E+01 volume .17357E-02 ppm1 2.637 ppm2 8.130 CV 1
ASSI { 349}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
2.500 .800 .800 peak 349 spectrum 3 weight .10000E+01 volume .39581E-02 ppm1 8.859 ppm2 8.129 CV 1
ASSI { 350}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
2.400 .700 .700 peak 350 spectrum 3 weight .10000E+01 volume .52243E-02 ppm1 4.404 ppm2 8.129 CV 1
ASSI { 351}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HN ))
2.300 .700 .700 peak 351 spectrum 3 weight .10000E+01 volume .59852E-02 ppm1 3.006 ppm2 8.130 CV 1
ASSI { 352}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HN ))
2.400 .700 .700 peak 352 spectrum 3 weight .10000E+01 volume .47801E-02 ppm1 2.962 ppm2 8.130 CV 1
ASSI { 353}
(( segid " " and resid 26 and name HD21))
(( segid " " and resid 26 and name HN ))
3.000 1.200 1.200 peak 353 spectrum 3 weight .10000E+01 volume .12385E-02 ppm1 7.749 ppm2 8.127 CV 1
ASSI { 356}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 26 and name HN ))
2.500 .800 .800 peak 356 spectrum 3 weight .10000E+01 volume .35844E-02 ppm1 8.280 ppm2 8.129 CV 1
ASSI { 357}
( segid " " and resid 103 and name HD1%)
(( segid " " and resid 26 and name HN ))
3.200 1.300 1.300 peak 357 spectrum 3 weight .10000E+01 volume .84133E-03 ppm1 .932 ppm2 8.126 CV 1
ASSI { 358}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 26 and name HD21))
3.700 1.700 1.700 peak 358 spectrum 3 weight .10000E+01 volume .35744E-03 ppm1 1.683 ppm2 7.744 CV 1
ASSI { 359}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 26 and name HD22))
3.500 1.500 1.500 peak 359 spectrum 3 weight .10000E+01 volume .54760E-03 ppm1 1.682 ppm2 6.995 CV 1
ASSI { 360}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HD21))
3.200 1.300 1.300 peak 360 spectrum 3 weight .10000E+01 volume .92520E-03 ppm1 4.594 ppm2 7.747 CV 1
ASSI { 361}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 26 and name HD22))
3.300 1.400 1.400 peak 361 spectrum 3 weight .10000E+01 volume .74134E-03 ppm1 4.594 ppm2 6.996 CV 1
ASSI { 362}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HD21))
3.700 1.700 1.700 peak 362 spectrum 3 weight .10000E+01 volume .36597E-03 ppm1 4.410 ppm2 7.747 CV 1
ASSI { 363}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HD22))
3.500 1.500 1.500 peak 363 spectrum 3 weight .10000E+01 volume .57424E-03 ppm1 4.413 ppm2 6.995 CV 1
ASSI { 364}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HD21))
2.700 .900 .900 peak 364 spectrum 3 weight .10000E+01 volume .27231E-02 ppm1 3.006 ppm2 7.749 CV 1
ASSI { 365}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HD22))
2.700 .900 .900 peak 365 spectrum 3 weight .10000E+01 volume .25342E-02 ppm1 3.004 ppm2 6.995 CV 1
ASSI { 366}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HD21))
2.800 1.000 1.000 peak 366 spectrum 3 weight .10000E+01 volume .19286E-02 ppm1 2.964 ppm2 7.749 CV 1
ASSI { 367}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HD22))
2.900 1.000 1.000 peak 367 spectrum 3 weight .10000E+01 volume .18072E-02 ppm1 2.964 ppm2 6.995 CV 1
ASSI { 369}
(( segid " " and resid 26 and name HD21))
(( segid " " and resid 26 and name HD22))
1.800 .400 .400 peak 369 spectrum 3 weight .10000E+01 volume .32720E-01 ppm1 7.751 ppm2 6.995 CV 1
ASSI { 372}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 27 and name HN ))
3.000 1.200 1.200 peak 372 spectrum 3 weight .10000E+01 volume .12113E-02 ppm1 4.594 ppm2 8.556 CV 1
ASSI { 373}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HN ))
2.900 1.100 1.100 peak 373 spectrum 3 weight .10000E+01 volume .15371E-02 ppm1 4.618 ppm2 8.556 CV 1
ASSI { 374}
( segid " " and resid 24 and name HD% )
(( segid " " and resid 27 and name HN ))
3.100 1.200 1.200 peak 374 spectrum 3 weight .10000E+01 volume .10141E-02 ppm1 7.175 ppm2 8.556 CV 1
ASSI { 375}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 27 and name HN ))
3.000 1.100 1.100 peak 375 spectrum 3 weight .10000E+01 volume .13495E-02 ppm1 4.388 ppm2 8.556 CV 1
ASSI { 377}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
3.100 1.200 1.200 peak 377 spectrum 3 weight .10000E+01 volume .11927E-02 ppm1 4.406 ppm2 8.556 CV 1
ASSI { 378}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 27 and name HN ))
2.800 1.000 1.000 peak 378 spectrum 3 weight .10000E+01 volume .20217E-02 ppm1 3.006 ppm2 8.556 CV 1
ASSI { 379}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 27 and name HN ))
2.700 .900 .900 peak 379 spectrum 3 weight .10000E+01 volume .23335E-02 ppm1 2.960 ppm2 8.556 CV 1
ASSI { 380}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
2.700 .900 .900 peak 380 spectrum 3 weight .10000E+01 volume .22701E-02 ppm1 8.129 ppm2 8.558 CV 1
ASSI { 381}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
2.700 .900 .900 peak 381 spectrum 3 weight .10000E+01 volume .27717E-02 ppm1 4.202 ppm2 8.556 CV 1
ASSI { 382}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
2.700 .900 .900 peak 382 spectrum 3 weight .10000E+01 volume .24711E-02 ppm1 3.673 ppm2 8.556 CV 1
ASSI { 383}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HN ))
2.600 .800 .800 peak 383 spectrum 3 weight .10000E+01 volume .33700E-02 ppm1 3.419 ppm2 8.556 CV 1
ASSI { 384}
(( segid " " and resid 27 and name HD1 ))
(( segid " " and resid 27 and name HN ))
3.300 1.300 1.300 peak 384 spectrum 3 weight .10000E+01 volume .81447E-03 ppm1 7.428 ppm2 8.559 CV 1
ASSI { 385}
(( segid " " and resid 27 and name HE3 ))
(( segid " " and resid 27 and name HN ))
3.200 1.300 1.300 peak 385 spectrum 3 weight .10000E+01 volume .82698E-03 ppm1 7.131 ppm2 8.556 CV 1
ASSI { 388}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HE1 ))
3.300 1.400 1.400 peak 388 spectrum 3 weight .10000E+01 volume .76121E-03 ppm1 4.191 ppm2 10.467 CV 1
ASSI { 389}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HE1 ))
3.500 1.500 1.500 peak 389 spectrum 3 weight .10000E+01 volume .56897E-03 ppm1 3.662 ppm2 10.468 CV 1
ASSI { 390}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HE1 ))
3.100 1.200 1.200 peak 390 spectrum 3 weight .10000E+01 volume .11698E-02 ppm1 3.423 ppm2 10.468 CV 1
ASSI { 391}
(( segid " " and resid 27 and name HD1 ))
(( segid " " and resid 27 and name HE1 ))
2.000 .500 .500 peak 391 spectrum 3 weight .10000E+01 volume .14330E-01 ppm1 7.429 ppm2 10.473 CV 1
ASSI { 392}
(( segid " " and resid 27 and name HH2 ))
(( segid " " and resid 27 and name HE1 ))
3.600 1.600 1.600 peak 392 spectrum 3 weight .10000E+01 volume .47003E-03 ppm1 7.040 ppm2 10.469 CV 1
ASSI { 393}
(( segid " " and resid 27 and name HZ2 ))
(( segid " " and resid 27 and name HE1 ))
2.400 .700 .700 peak 393 spectrum 3 weight .10000E+01 volume .56947E-02 ppm1 7.387 ppm2 10.473 CV 1
ASSI { 394}
( segid " " and resid 31 and name HB% )
(( segid " " and resid 27 and name HE1 ))
3.200 1.300 1.300 peak 394 spectrum 3 weight .10000E+01 volume .93415E-03 ppm1 .780 ppm2 10.466 CV 1
ASSI { 396}
(( segid " " and resid 60 and name HB ))
(( segid " " and resid 27 and name HE1 ))
3.700 1.700 1.700 peak 396 spectrum 3 weight .10000E+01 volume .39114E-03 ppm1 4.506 ppm2 10.470 CV 1
ASSI { 397}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 27 and name HE1 ))
3.200 1.300 1.300 peak 397 spectrum 3 weight .10000E+01 volume .95906E-03 ppm1 1.417 ppm2 10.472 CV 1
ASSI { 398}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 27 and name HE1 ))
3.200 1.300 1.300 peak 398 spectrum 3 weight .10000E+01 volume .92734E-03 ppm1 1.392 ppm2 10.472 CV 1
ASSI { 399}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 28 and name HN ))
3.600 1.600 1.600 peak 399 spectrum 3 weight .10000E+01 volume .46010E-03 ppm1 4.617 ppm2 8.275 CV 1
ASSI { 400}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 28 and name HN ))
3.300 1.300 1.300 peak 400 spectrum 3 weight .10000E+01 volume .81218E-03 ppm1 4.386 ppm2 8.277 CV 1
ASSI { 401}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 28 and name HN ))
3.500 1.500 1.500 peak 401 spectrum 3 weight .10000E+01 volume .52033E-03 ppm1 4.406 ppm2 8.278 CV 1
ASSI { 403}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
3.400 1.400 1.400 peak 403 spectrum 3 weight .10000E+01 volume .67194E-03 ppm1 4.204 ppm2 8.277 CV 1
ASSI { 404}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 28 and name HN ))
3.200 1.300 1.300 peak 404 spectrum 3 weight .10000E+01 volume .84422E-03 ppm1 3.667 ppm2 8.278 CV 1
ASSI { 405}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 28 and name HN ))
3.400 1.500 1.500 peak 405 spectrum 3 weight .10000E+01 volume .61136E-03 ppm1 3.419 ppm2 8.279 CV 1
ASSI { 406}
(( segid " " and resid 27 and name HE3 ))
(( segid " " and resid 28 and name HN ))
2.900 1.000 1.000 peak 406 spectrum 3 weight .10000E+01 volume .16747E-02 ppm1 7.131 ppm2 8.278 CV 1
ASSI { 407}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HN ))
3.200 1.300 1.300 peak 407 spectrum 3 weight .10000E+01 volume .87139E-03 ppm1 8.564 ppm2 8.277 CV 1
ASSI { 408}
(( segid " " and resid 27 and name HZ3 ))
(( segid " " and resid 28 and name HN ))
3.400 1.500 1.500 peak 408 spectrum 3 weight .10000E+01 volume .58369E-03 ppm1 7.001 ppm2 8.279 CV 1
ASSI { 409}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
3.100 1.200 1.200 peak 409 spectrum 3 weight .10000E+01 volume .11412E-02 ppm1 3.327 ppm2 8.279 CV 1
ASSI { 410}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HN ))
3.200 1.300 1.300 peak 410 spectrum 3 weight .10000E+01 volume .92643E-03 ppm1 2.703 ppm2 8.275 CV 1
ASSI { 411}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HN ))
3.100 1.200 1.200 peak 411 spectrum 3 weight .10000E+01 volume .10441E-02 ppm1 2.507 ppm2 8.277 CV 1
ASSI { 412}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 28 and name HN ))
3.200 1.200 1.200 peak 412 spectrum 3 weight .10000E+01 volume .99131E-03 ppm1 2.407 ppm2 8.279 CV 1
ASSI { 413}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HN ))
3.100 1.200 1.200 peak 413 spectrum 3 weight .10000E+01 volume .11561E-02 ppm1 2.430 ppm2 8.278 CV 1
ASSI { 414}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 28 and name HN ))
3.300 1.300 1.300 peak 414 spectrum 3 weight .10000E+01 volume .81968E-03 ppm1 2.241 ppm2 8.278 CV 1
ASSI { 416}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 29 and name HN ))
2.900 1.100 1.100 peak 416 spectrum 3 weight .10000E+01 volume .15045E-02 ppm1 4.388 ppm2 8.277 CV 1
ASSI { 417}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 29 and name HN ))
3.000 1.100 1.100 peak 417 spectrum 3 weight .10000E+01 volume .13509E-02 ppm1 4.404 ppm2 8.277 CV 1
ASSI { 418}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 29 and name HN ))
3.500 1.500 1.500 peak 418 spectrum 3 weight .10000E+01 volume .54313E-03 ppm1 8.560 ppm2 8.280 CV 1
ASSI { 419}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HN ))
3.400 1.500 1.500 peak 419 spectrum 3 weight .10000E+01 volume .60701E-03 ppm1 3.325 ppm2 8.279 CV 1
ASSI { 420}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.600 .800 .800 peak 420 spectrum 3 weight .10000E+01 volume .32824E-02 ppm1 3.903 ppm2 8.279 CV 1
ASSI { 421}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HN ))
2.800 1.000 1.000 peak 421 spectrum 3 weight .10000E+01 volume .22012E-02 ppm1 2.177 ppm2 8.279 CV 1
ASSI { 422}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HN ))
2.500 .800 .800 peak 422 spectrum 3 weight .10000E+01 volume .41686E-02 ppm1 2.083 ppm2 8.279 CV 1
ASSI { 423}
(( segid " " and resid 29 and name HG2 ))
(( segid " " and resid 29 and name HN ))
2.800 .900 .900 peak 423 spectrum 3 weight .10000E+01 volume .22242E-02 ppm1 2.475 ppm2 8.279 CV 1
OR { 423}
(( segid " " and resid 29 and name HG3 ))
(( segid " " and resid 29 and name HN ))
ASSI { 424}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HN ))
3.000 1.100 1.100 peak 424 spectrum 3 weight .10000E+01 volume .13731E-02 ppm1 8.052 ppm2 8.279 CV 1
ASSI { 427}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 30 and name HN ))
3.200 1.300 1.300 peak 427 spectrum 3 weight .10000E+01 volume .94183E-03 ppm1 4.404 ppm2 8.049 CV 1
ASSI { 428}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 30 and name HN ))
2.700 .900 .900 peak 428 spectrum 3 weight .10000E+01 volume .27663E-02 ppm1 4.202 ppm2 8.049 CV 1
ASSI { 429}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 30 and name HN ))
3.700 1.700 1.700 peak 429 spectrum 3 weight .10000E+01 volume .37054E-03 ppm1 3.325 ppm2 8.049 CV 1
ASSI { 430}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
2.200 .600 .600 peak 430 spectrum 3 weight .10000E+01 volume .88190E-02 ppm1 3.903 ppm2 8.049 CV 1
ASSI { 431}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 30 and name HN ))
2.900 1.100 1.100 peak 431 spectrum 3 weight .10000E+01 volume .15830E-02 ppm1 2.178 ppm2 8.050 CV 1
ASSI { 432}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 30 and name HN ))
2.500 .800 .800 peak 432 spectrum 3 weight .10000E+01 volume .44760E-02 ppm1 2.083 ppm2 8.050 CV 1
ASSI { 433}
(( segid " " and resid 29 and name HG2 ))
(( segid " " and resid 30 and name HN ))
3.000 1.100 1.100 peak 433 spectrum 3 weight .10000E+01 volume .13283E-02 ppm1 2.474 ppm2 8.050 CV 1
OR { 433}
(( segid " " and resid 29 and name HG3 ))
(( segid " " and resid 30 and name HN ))
ASSI { 434}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
2.300 .700 .700 peak 434 spectrum 3 weight .10000E+01 volume .60454E-02 ppm1 4.157 ppm2 8.049 CV 1
ASSI { 435}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HN ))
2.200 .600 .600 peak 435 spectrum 3 weight .10000E+01 volume .82857E-02 ppm1 3.880 ppm2 8.048 CV 1
OR { 435}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HN ))
ASSI { 437}
( segid " " and resid 31 and name HB% )
(( segid " " and resid 30 and name HN ))
3.200 1.300 1.300 peak 437 spectrum 3 weight .10000E+01 volume .90318E-03 ppm1 .773 ppm2 8.050 CV 1
ASSI { 438}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
2.600 .900 .900 peak 438 spectrum 3 weight .10000E+01 volume .29352E-02 ppm1 7.973 ppm2 8.049 CV 1
ASSI { 439}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 30 and name HN ))
2.700 .900 .900 peak 439 spectrum 3 weight .10000E+01 volume .23077E-02 ppm1 8.240 ppm2 8.049 CV 1
ASSI { 440}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 31 and name HN ))
3.100 1.200 1.200 peak 440 spectrum 3 weight .10000E+01 volume .11403E-02 ppm1 4.202 ppm2 7.975 CV 1
ASSI { 441}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 31 and name HN ))
3.100 1.200 1.200 peak 441 spectrum 3 weight .10000E+01 volume .10282E-02 ppm1 3.326 ppm2 7.976 CV 1
ASSI { 442}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 31 and name HN ))
2.500 .800 .800 peak 442 spectrum 3 weight .10000E+01 volume .37944E-02 ppm1 3.904 ppm2 7.975 CV 1
ASSI { 443}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 31 and name HN ))
2.900 1.000 1.000 peak 443 spectrum 3 weight .10000E+01 volume .17851E-02 ppm1 8.281 ppm2 7.978 CV 1
ASSI { 444}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
2.900 1.000 1.000 peak 444 spectrum 3 weight .10000E+01 volume .17107E-02 ppm1 4.157 ppm2 7.975 CV 1
ASSI { 445}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 31 and name HN ))
2.400 .700 .700 peak 445 spectrum 3 weight .10000E+01 volume .47988E-02 ppm1 3.880 ppm2 7.975 CV 1
OR { 445}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 31 and name HN ))
ASSI { 447}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
2.500 .800 .800 peak 447 spectrum 3 weight .10000E+01 volume .42098E-02 ppm1 3.765 ppm2 7.975 CV 1
ASSI { 448}
( segid " " and resid 31 and name HB% )
(( segid " " and resid 31 and name HN ))
2.300 .700 .700 peak 448 spectrum 3 weight .10000E+01 volume .64116E-02 ppm1 .781 ppm2 7.974 CV 1
ASSI { 450}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
2.700 .900 .900 peak 450 spectrum 3 weight .10000E+01 volume .24514E-02 ppm1 8.238 ppm2 7.978 CV 1
ASSI { 451}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 31 and name HN ))
3.500 1.500 1.500 peak 451 spectrum 3 weight .10000E+01 volume .55564E-03 ppm1 7.339 ppm2 7.976 CV 1
ASSI { 452}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 32 and name HN ))
3.500 1.500 1.500 peak 452 spectrum 3 weight .10000E+01 volume .53769E-03 ppm1 3.328 ppm2 8.238 CV 1
ASSI { 453}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 453 spectrum 3 weight .10000E+01 volume .11992E-02 ppm1 3.902 ppm2 8.238 CV 1
ASSI { 454}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
3.000 1.100 1.100 peak 454 spectrum 3 weight .10000E+01 volume .12919E-02 ppm1 3.765 ppm2 8.239 CV 1
ASSI { 455}
( segid " " and resid 31 and name HB% )
(( segid " " and resid 32 and name HN ))
2.600 .900 .900 peak 455 spectrum 3 weight .10000E+01 volume .29177E-02 ppm1 .781 ppm2 8.238 CV 1
ASSI { 457}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
2.800 1.000 1.000 peak 457 spectrum 3 weight .10000E+01 volume .18424E-02 ppm1 3.627 ppm2 8.239 CV 1
ASSI { 458}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 458 spectrum 3 weight .10000E+01 volume .11746E-02 ppm1 1.825 ppm2 8.237 CV 1
ASSI { 459}
(( segid " " and resid 32 and name HG3 ))
(( segid " " and resid 32 and name HN ))
2.800 1.000 1.000 peak 459 spectrum 3 weight .10000E+01 volume .18472E-02 ppm1 2.732 ppm2 8.236 CV 1
OR { 459}
(( segid " " and resid 32 and name HG2 ))
(( segid " " and resid 32 and name HN ))
ASSI { 461}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HN ))
2.800 1.000 1.000 peak 461 spectrum 3 weight .10000E+01 volume .19205E-02 ppm1 7.338 ppm2 8.239 CV 1
ASSI { 462}
( segid " " and resid 110 and name HG1%)
(( segid " " and resid 32 and name HN ))
3.200 1.300 1.300 peak 462 spectrum 3 weight .10000E+01 volume .94161E-03 ppm1 .953 ppm2 8.238 CV 1
ASSI { 463}
( segid " " and resid 110 and name HG2%)
(( segid " " and resid 32 and name HN ))
3.400 1.400 1.400 peak 463 spectrum 3 weight .10000E+01 volume .66976E-03 ppm1 .665 ppm2 8.238 CV 1
ASSI { 464}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 33 and name HN ))
2.900 1.100 1.100 peak 464 spectrum 3 weight .10000E+01 volume .15681E-02 ppm1 3.904 ppm2 7.343 CV 1
ASSI { 465}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 33 and name HN ))
3.000 1.100 1.100 peak 465 spectrum 3 weight .10000E+01 volume .13540E-02 ppm1 4.157 ppm2 7.343 CV 1
ASSI { 466}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 33 and name HN ))
3.800 1.800 1.800 peak 466 spectrum 3 weight .10000E+01 volume .30121E-03 ppm1 3.766 ppm2 7.343 CV 1
ASSI { 467}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
3.300 1.300 1.300 peak 467 spectrum 3 weight .10000E+01 volume .78115E-03 ppm1 3.627 ppm2 7.343 CV 1
ASSI { 468}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 33 and name HN ))
3.100 1.200 1.200 peak 468 spectrum 3 weight .10000E+01 volume .11204E-02 ppm1 1.829 ppm2 7.346 CV 1
ASSI { 469}
(( segid " " and resid 32 and name HG2 ))
(( segid " " and resid 33 and name HN ))
3.100 1.200 1.200 peak 469 spectrum 3 weight .10000E+01 volume .11690E-02 ppm1 2.733 ppm2 7.342 CV 1
OR { 469}
(( segid " " and resid 32 and name HG3 ))
(( segid " " and resid 33 and name HN ))
ASSI { 470}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
2.500 .800 .800 peak 470 spectrum 3 weight .10000E+01 volume .39438E-02 ppm1 3.952 ppm2 7.344 CV 1
ASSI { 471}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HN ))
2.500 .800 .800 peak 471 spectrum 3 weight .10000E+01 volume .36621E-02 ppm1 2.200 ppm2 7.342 CV 1
ASSI { 472}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HN ))
2.200 .600 .600 peak 472 spectrum 3 weight .10000E+01 volume .90731E-02 ppm1 2.083 ppm2 7.342 CV 1
ASSI { 473}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 33 and name HN ))
2.800 1.000 1.000 peak 473 spectrum 3 weight .10000E+01 volume .19398E-02 ppm1 2.358 ppm2 7.342 CV 1
OR { 473}
(( segid " " and resid 33 and name HG3 ))
(( segid " " and resid 33 and name HN ))
ASSI { 476}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 34 and name HN ))
3.100 1.200 1.200 peak 476 spectrum 3 weight .10000E+01 volume .10970E-02 ppm1 4.157 ppm2 7.879 CV 1
ASSI { 477}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 34 and name HN ))
3.000 1.100 1.100 peak 477 spectrum 3 weight .10000E+01 volume .13668E-02 ppm1 3.765 ppm2 7.880 CV 1
ASSI { 478}
( segid " " and resid 31 and name HB% )
(( segid " " and resid 34 and name HN ))
3.200 1.300 1.300 peak 478 spectrum 3 weight .10000E+01 volume .95267E-03 ppm1 .769 ppm2 7.879 CV 1
ASSI { 479}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
3.000 1.100 1.100 peak 479 spectrum 3 weight .10000E+01 volume .12997E-02 ppm1 3.949 ppm2 7.877 CV 1
ASSI { 480}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 34 and name HN ))
2.900 1.000 1.000 peak 480 spectrum 3 weight .10000E+01 volume .17218E-02 ppm1 2.207 ppm2 7.879 CV 1
ASSI { 481}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 34 and name HN ))
2.400 .700 .700 peak 481 spectrum 3 weight .10000E+01 volume .46637E-02 ppm1 2.085 ppm2 7.879 CV 1
ASSI { 482}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 34 and name HN ))
3.500 1.500 1.500 peak 482 spectrum 3 weight .10000E+01 volume .54229E-03 ppm1 2.359 ppm2 7.880 CV 1
OR { 482}
(( segid " " and resid 33 and name HG3 ))
(( segid " " and resid 34 and name HN ))
ASSI { 483}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 34 and name HN ))
2.500 .800 .800 peak 483 spectrum 3 weight .10000E+01 volume .40148E-02 ppm1 7.348 ppm2 7.877 CV 1
ASSI { 484}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
2.400 .700 .700 peak 484 spectrum 3 weight .10000E+01 volume .50203E-02 ppm1 4.317 ppm2 7.877 CV 1
ASSI { 485}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HN ))
2.500 .800 .800 peak 485 spectrum 3 weight .10000E+01 volume .36711E-02 ppm1 2.571 ppm2 7.881 CV 1
ASSI { 486}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HN ))
2.600 .900 .900 peak 486 spectrum 3 weight .10000E+01 volume .29657E-02 ppm1 2.504 ppm2 7.881 CV 1
ASSI { 488}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HN ))
2.600 .900 .900 peak 488 spectrum 3 weight .10000E+01 volume .28702E-02 ppm1 8.250 ppm2 7.880 CV 1
ASSI { 489}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 35 and name HN ))
3.400 1.400 1.400 peak 489 spectrum 3 weight .10000E+01 volume .66741E-03 ppm1 3.626 ppm2 8.245 CV 1
ASSI { 490}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 35 and name HN ))
2.800 1.000 1.000 peak 490 spectrum 3 weight .10000E+01 volume .20312E-02 ppm1 7.344 ppm2 8.246 CV 1
ASSI { 491}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
3.000 1.200 1.200 peak 491 spectrum 3 weight .10000E+01 volume .12255E-02 ppm1 4.318 ppm2 8.245 CV 1
ASSI { 492}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 35 and name HN ))
3.100 1.200 1.200 peak 492 spectrum 3 weight .10000E+01 volume .10170E-02 ppm1 2.570 ppm2 8.244 CV 1
ASSI { 493}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 35 and name HN ))
3.000 1.100 1.100 peak 493 spectrum 3 weight .10000E+01 volume .14405E-02 ppm1 2.504 ppm2 8.244 CV 1
ASSI { 495}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
3.000 1.100 1.100 peak 495 spectrum 3 weight .10000E+01 volume .14483E-02 ppm1 3.874 ppm2 8.245 CV 1
ASSI { 496}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HN ))
3.000 1.100 1.100 peak 496 spectrum 3 weight .10000E+01 volume .12465E-02 ppm1 1.752 ppm2 8.246 CV 1
ASSI { 497}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HN ))
2.700 .900 .900 peak 497 spectrum 3 weight .10000E+01 volume .23089E-02 ppm1 1.645 ppm2 8.246 CV 1
ASSI { 498}
( segid " " and resid 35 and name HD1%)
(( segid " " and resid 35 and name HN ))
2.900 1.100 1.100 peak 498 spectrum 3 weight .10000E+01 volume .15088E-02 ppm1 .792 ppm2 8.247 CV 1
ASSI { 499}
( segid " " and resid 35 and name HD2%)
(( segid " " and resid 35 and name HN ))
3.000 1.100 1.100 peak 499 spectrum 3 weight .10000E+01 volume .14396E-02 ppm1 .697 ppm2 8.247 CV 1
ASSI { 500}
(( segid " " and resid 35 and name HG ))
(( segid " " and resid 35 and name HN ))
3.100 1.200 1.200 peak 500 spectrum 3 weight .10000E+01 volume .10810E-02 ppm1 1.292 ppm2 8.247 CV 1
ASSI { 502}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HN ))
2.900 1.100 1.100 peak 502 spectrum 3 weight .10000E+01 volume .15495E-02 ppm1 7.321 ppm2 8.247 CV 1
ASSI { 503}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 35 and name HN ))
2.900 1.000 1.000 peak 503 spectrum 3 weight .10000E+01 volume .18034E-02 ppm1 7.363 ppm2 8.247 CV 1
ASSI { 504}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 36 and name HN ))
3.200 1.300 1.300 peak 504 spectrum 3 weight .10000E+01 volume .86594E-03 ppm1 3.951 ppm2 7.318 CV 1
ASSI { 505}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 36 and name HN ))
2.600 .900 .900 peak 505 spectrum 3 weight .10000E+01 volume .30675E-02 ppm1 4.314 ppm2 7.317 CV 1
ASSI { 506}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 36 and name HN ))
3.600 1.600 1.600 peak 506 spectrum 3 weight .10000E+01 volume .46040E-03 ppm1 7.878 ppm2 7.313 CV 1
ASSI { 507}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HN ))
3.500 1.500 1.500 peak 507 spectrum 3 weight .10000E+01 volume .56157E-03 ppm1 3.874 ppm2 7.317 CV 1
ASSI { 508}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 36 and name HN ))
3.300 1.400 1.400 peak 508 spectrum 3 weight .10000E+01 volume .70244E-03 ppm1 1.752 ppm2 7.319 CV 1
ASSI { 509}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 36 and name HN ))
3.600 1.600 1.600 peak 509 spectrum 3 weight .10000E+01 volume .47731E-03 ppm1 1.646 ppm2 7.319 CV 1
ASSI { 510}
( segid " " and resid 35 and name HD1%)
(( segid " " and resid 36 and name HN ))
3.100 1.200 1.200 peak 510 spectrum 3 weight .10000E+01 volume .11711E-02 ppm1 .792 ppm2 7.317 CV 1
ASSI { 511}
( segid " " and resid 35 and name HD2%)
(( segid " " and resid 36 and name HN ))
3.300 1.400 1.400 peak 511 spectrum 3 weight .10000E+01 volume .74352E-03 ppm1 .696 ppm2 7.317 CV 1
ASSI { 512}
(( segid " " and resid 35 and name HG ))
(( segid " " and resid 36 and name HN ))
3.400 1.500 1.500 peak 512 spectrum 3 weight .10000E+01 volume .61791E-03 ppm1 1.290 ppm2 7.317 CV 1
ASSI { 513}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
2.600 .800 .800 peak 513 spectrum 3 weight .10000E+01 volume .35134E-02 ppm1 4.296 ppm2 7.317 CV 1
ASSI { 514}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HN ))
2.600 .800 .800 peak 514 spectrum 3 weight .10000E+01 volume .35158E-02 ppm1 2.222 ppm2 7.319 CV 1
ASSI { 515}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HN ))
2.700 .900 .900 peak 515 spectrum 3 weight .10000E+01 volume .25831E-02 ppm1 1.980 ppm2 7.319 CV 1
ASSI { 516}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 36 and name HN ))
2.800 1.000 1.000 peak 516 spectrum 3 weight .10000E+01 volume .20732E-02 ppm1 2.496 ppm2 7.317 CV 1
OR { 516}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 36 and name HN ))
ASSI { 518}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HN ))
2.200 .600 .600 peak 518 spectrum 3 weight .10000E+01 volume .79420E-02 ppm1 7.367 ppm2 7.319 CV 1
ASSI { 519}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 36 and name HE21))
3.700 1.700 1.700 peak 519 spectrum 3 weight .10000E+01 volume .38632E-03 ppm1 3.627 ppm2 7.191 CV 1
ASSI { 520}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 36 and name HE22))
3.700 1.700 1.700 peak 520 spectrum 3 weight .10000E+01 volume .40104E-03 ppm1 3.627 ppm2 6.838 CV 1
ASSI { 521}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 36 and name HE21))
3.300 1.400 1.400 peak 521 spectrum 3 weight .10000E+01 volume .72200E-03 ppm1 3.961 ppm2 7.191 CV 1
ASSI { 522}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 36 and name HE22))
3.200 1.300 1.300 peak 522 spectrum 3 weight .10000E+01 volume .86374E-03 ppm1 3.960 ppm2 6.840 CV 1
ASSI { 523}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HE21))
3.400 1.500 1.500 peak 523 spectrum 3 weight .10000E+01 volume .60894E-03 ppm1 4.297 ppm2 7.190 CV 1
ASSI { 524}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HE22))
3.500 1.500 1.500 peak 524 spectrum 3 weight .10000E+01 volume .56151E-03 ppm1 4.299 ppm2 6.841 CV 1
ASSI { 525}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HE21))
2.600 .800 .800 peak 525 spectrum 3 weight .10000E+01 volume .32447E-02 ppm1 2.220 ppm2 7.189 CV 1
ASSI { 526}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HE22))
2.700 .900 .900 peak 526 spectrum 3 weight .10000E+01 volume .26216E-02 ppm1 2.218 ppm2 6.840 CV 1
ASSI { 527}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HE21))
2.800 1.000 1.000 peak 527 spectrum 3 weight .10000E+01 volume .18577E-02 ppm1 1.978 ppm2 7.191 CV 1
ASSI { 528}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HE22))
2.900 1.000 1.000 peak 528 spectrum 3 weight .10000E+01 volume .17377E-02 ppm1 1.980 ppm2 6.840 CV 1
ASSI { 533}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 36 and name HE21))
2.800 1.000 1.000 peak 533 spectrum 3 weight .10000E+01 volume .18694E-02 ppm1 2.496 ppm2 7.190 CV 1
OR { 533}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 36 and name HE21))
ASSI { 534}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 36 and name HE22))
2.900 1.000 1.000 peak 534 spectrum 3 weight .10000E+01 volume .17881E-02 ppm1 2.496 ppm2 6.841 CV 1
OR { 534}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 36 and name HE22))
ASSI { 535}
( segid " " and resid 113 and name HD2%)
(( segid " " and resid 36 and name HE21))
3.100 1.200 1.200 peak 535 spectrum 3 weight .10000E+01 volume .11805E-02 ppm1 .814 ppm2 7.189 CV 1
OR { 535}
( segid " " and resid 113 and name HD1%)
(( segid " " and resid 36 and name HE21))
ASSI { 536}
( segid " " and resid 113 and name HD2%)
(( segid " " and resid 36 and name HE22))
2.900 1.100 1.100 peak 536 spectrum 3 weight .10000E+01 volume .16315E-02 ppm1 .815 ppm2 6.840 CV 1
OR { 536}
( segid " " and resid 113 and name HD1%)
(( segid " " and resid 36 and name HE22))
ASSI { 537}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 37 and name HN ))
2.600 .800 .800 peak 537 spectrum 3 weight .10000E+01 volume .33891E-02 ppm1 4.317 ppm2 7.368 CV 1
ASSI { 538}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HN ))
2.600 .900 .900 peak 538 spectrum 3 weight .10000E+01 volume .28818E-02 ppm1 4.295 ppm2 7.367 CV 1
ASSI { 539}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 37 and name HN ))
3.100 1.200 1.200 peak 539 spectrum 3 weight .10000E+01 volume .11655E-02 ppm1 2.225 ppm2 7.367 CV 1
ASSI { 540}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 37 and name HN ))
3.200 1.200 1.200 peak 540 spectrum 3 weight .10000E+01 volume .98684E-03 ppm1 1.980 ppm2 7.367 CV 1
ASSI { 541}
(( segid " " and resid 36 and name HG2 ))
(( segid " " and resid 37 and name HN ))
3.100 1.200 1.200 peak 541 spectrum 3 weight .10000E+01 volume .11855E-02 ppm1 2.497 ppm2 7.369 CV 1
OR { 541}
(( segid " " and resid 36 and name HG3 ))
(( segid " " and resid 37 and name HN ))
ASSI { 543}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HN ))
2.700 .900 .900 peak 543 spectrum 3 weight .10000E+01 volume .25055E-02 ppm1 4.480 ppm2 7.368 CV 1
ASSI { 544}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HN ))
2.500 .800 .800 peak 544 spectrum 3 weight .10000E+01 volume .40796E-02 ppm1 2.750 ppm2 7.366 CV 1
ASSI { 545}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HN ))
2.600 .800 .800 peak 545 spectrum 3 weight .10000E+01 volume .32345E-02 ppm1 2.659 ppm2 7.366 CV 1
ASSI { 547}
(( segid " " and resid 117 and name HH11))
(( segid " " and resid 37 and name HN ))
3.700 1.700 1.700 peak 547 spectrum 3 weight .10000E+01 volume .36319E-03 ppm1 6.744 ppm2 7.365 CV 1
OR { 547}
(( segid " " and resid 117 and name HH12))
(( segid " " and resid 37 and name HN ))
OR { 547}
(( segid " " and resid 117 and name HH21))
(( segid " " and resid 37 and name HN ))
OR { 547}
(( segid " " and resid 117 and name HH22))
(( segid " " and resid 37 and name HN ))
ASSI { 548}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 38 and name HN ))
2.200 .600 .600 peak 548 spectrum 3 weight .10000E+01 volume .94241E-02 ppm1 4.479 ppm2 8.262 CV 1
ASSI { 549}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 38 and name HN ))
3.000 1.200 1.200 peak 549 spectrum 3 weight .10000E+01 volume .12103E-02 ppm1 2.752 ppm2 8.262 CV 1
ASSI { 550}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 38 and name HN ))
3.000 1.200 1.200 peak 550 spectrum 3 weight .10000E+01 volume .12367E-02 ppm1 2.659 ppm2 8.262 CV 1
ASSI { 551}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HN ))
3.400 1.400 1.400 peak 551 spectrum 3 weight .10000E+01 volume .67314E-03 ppm1 7.363 ppm2 8.262 CV 1
ASSI { 552}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HN ))
2.800 .900 .900 peak 552 spectrum 3 weight .10000E+01 volume .22212E-02 ppm1 4.319 ppm2 8.262 CV 1
ASSI { 553}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HN ))
2.300 .700 .700 peak 553 spectrum 3 weight .10000E+01 volume .59409E-02 ppm1 1.922 ppm2 8.263 CV 1
OR { 553}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HN ))
ASSI { 554}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 38 and name HN ))
3.100 1.200 1.200 peak 554 spectrum 3 weight .10000E+01 volume .11630E-02 ppm1 2.479 ppm2 8.261 CV 1
OR { 554}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 38 and name HN ))
ASSI { 556}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HN ))
3.200 1.300 1.300 peak 556 spectrum 3 weight .10000E+01 volume .85088E-03 ppm1 7.601 ppm2 8.262 CV 1
ASSI { 557}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HN ))
2.400 .700 .700 peak 557 spectrum 3 weight .10000E+01 volume .45295E-02 ppm1 4.318 ppm2 7.597 CV 1
ASSI { 558}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 39 and name HN ))
2.700 .900 .900 peak 558 spectrum 3 weight .10000E+01 volume .27485E-02 ppm1 1.921 ppm2 7.600 CV 1
OR { 558}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 39 and name HN ))
ASSI { 559}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 39 and name HN ))
3.200 1.300 1.300 peak 559 spectrum 3 weight .10000E+01 volume .82687E-03 ppm1 2.479 ppm2 7.600 CV 1
OR { 559}
(( segid " " and resid 38 and name HG3 ))
(( segid " " and resid 39 and name HN ))
ASSI { 560}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HN ))
2.900 1.100 1.100 peak 560 spectrum 3 weight .10000E+01 volume .15162E-02 ppm1 4.715 ppm2 7.600 CV 1
ASSI { 561}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HN ))
2.900 1.100 1.100 peak 561 spectrum 3 weight .10000E+01 volume .15636E-02 ppm1 3.073 ppm2 7.599 CV 1
ASSI { 562}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HN ))
3.000 1.100 1.100 peak 562 spectrum 3 weight .10000E+01 volume .12482E-02 ppm1 2.912 ppm2 7.599 CV 1
ASSI { 563}
( segid " " and resid 39 and name HD% )
(( segid " " and resid 39 and name HN ))
2.900 1.000 1.000 peak 563 spectrum 3 weight .10000E+01 volume .16996E-02 ppm1 7.061 ppm2 7.600 CV 1
ASSI { 565}
( segid " " and resid 40 and name HD1%)
(( segid " " and resid 39 and name HN ))
3.600 1.600 1.600 peak 565 spectrum 3 weight .10000E+01 volume .44649E-03 ppm1 .850 ppm2 7.588 CV 1
ASSI { 566}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 40 and name HN ))
3.300 1.300 1.300 peak 566 spectrum 3 weight .10000E+01 volume .82132E-03 ppm1 4.316 ppm2 8.248 CV 1
ASSI { 567}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 40 and name HN ))
2.400 .700 .700 peak 567 spectrum 3 weight .10000E+01 volume .48528E-02 ppm1 4.710 ppm2 8.246 CV 1
ASSI { 568}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 40 and name HN ))
3.000 1.100 1.100 peak 568 spectrum 3 weight .10000E+01 volume .12527E-02 ppm1 3.073 ppm2 8.246 CV 1
ASSI { 569}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 40 and name HN ))
3.000 1.200 1.200 peak 569 spectrum 3 weight .10000E+01 volume .12365E-02 ppm1 2.912 ppm2 8.246 CV 1
ASSI { 570}
( segid " " and resid 39 and name HD% )
(( segid " " and resid 40 and name HN ))
3.300 1.300 1.300 peak 570 spectrum 3 weight .10000E+01 volume .77444E-03 ppm1 7.061 ppm2 8.250 CV 1
ASSI { 571}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HN ))
3.500 1.500 1.500 peak 571 spectrum 3 weight .10000E+01 volume .56481E-03 ppm1 7.596 ppm2 8.250 CV 1
ASSI { 572}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HN ))
2.800 1.000 1.000 peak 572 spectrum 3 weight .10000E+01 volume .18954E-02 ppm1 4.157 ppm2 8.248 CV 1
ASSI { 573}
(( segid " " and resid 40 and name HB ))
(( segid " " and resid 40 and name HN ))
2.700 .900 .900 peak 573 spectrum 3 weight .10000E+01 volume .24569E-02 ppm1 1.715 ppm2 8.248 CV 1
ASSI { 574}
( segid " " and resid 40 and name HD1%)
(( segid " " and resid 40 and name HN ))
3.000 1.100 1.100 peak 574 spectrum 3 weight .10000E+01 volume .14379E-02 ppm1 .849 ppm2 8.247 CV 1
ASSI { 575}
(( segid " " and resid 40 and name HG12))
(( segid " " and resid 40 and name HN ))
3.300 1.300 1.300 peak 575 spectrum 3 weight .10000E+01 volume .81607E-03 ppm1 1.360 ppm2 8.247 CV 1
ASSI { 576}
(( segid " " and resid 40 and name HG13))
(( segid " " and resid 40 and name HN ))
3.300 1.300 1.300 peak 576 spectrum 3 weight .10000E+01 volume .77258E-03 ppm1 1.021 ppm2 8.247 CV 1
ASSI { 577}
( segid " " and resid 40 and name HG2%)
(( segid " " and resid 40 and name HN ))
2.900 1.000 1.000 peak 577 spectrum 3 weight .10000E+01 volume .16965E-02 ppm1 .700 ppm2 8.247 CV 1
ASSI { 579}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HN ))
2.300 .700 .700 peak 579 spectrum 3 weight .10000E+01 volume .62393E-02 ppm1 8.291 ppm2 8.247 CV 1
ASSI { 580}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HN ))
2.200 .600 .600 peak 580 spectrum 3 weight .10000E+01 volume .79171E-02 ppm1 4.160 ppm2 8.292 CV 1
ASSI { 581}
(( segid " " and resid 40 and name HB ))
(( segid " " and resid 41 and name HN ))
3.000 1.100 1.100 peak 581 spectrum 3 weight .10000E+01 volume .12669E-02 ppm1 1.715 ppm2 8.294 CV 1
ASSI { 582}
( segid " " and resid 40 and name HD1%)
(( segid " " and resid 41 and name HN ))
2.600 .800 .800 peak 582 spectrum 3 weight .10000E+01 volume .34700E-02 ppm1 .849 ppm2 8.290 CV 1
ASSI { 583}
(( segid " " and resid 40 and name HG12))
(( segid " " and resid 41 and name HN ))
3.500 1.500 1.500 peak 583 spectrum 3 weight .10000E+01 volume .55325E-03 ppm1 1.362 ppm2 8.288 CV 1
ASSI { 584}
(( segid " " and resid 40 and name HG13))
(( segid " " and resid 41 and name HN ))
3.000 1.100 1.100 peak 584 spectrum 3 weight .10000E+01 volume .12940E-02 ppm1 1.023 ppm2 8.288 CV 1
ASSI { 585}
( segid " " and resid 40 and name HG2%)
(( segid " " and resid 41 and name HN ))
2.600 .900 .900 peak 585 spectrum 3 weight .10000E+01 volume .28399E-02 ppm1 .700 ppm2 8.290 CV 1
ASSI { 586}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HN ))
3.000 1.100 1.100 peak 586 spectrum 3 weight .10000E+01 volume .13919E-02 ppm1 4.349 ppm2 8.292 CV 1
ASSI { 587}
(( segid " " and resid 41 and name HB ))
(( segid " " and resid 41 and name HN ))
2.700 .900 .900 peak 587 spectrum 3 weight .10000E+01 volume .23693E-02 ppm1 2.068 ppm2 8.294 CV 1
ASSI { 588}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 41 and name HN ))
2.500 .800 .800 peak 588 spectrum 3 weight .10000E+01 volume .37616E-02 ppm1 .874 ppm2 8.292 CV 1
OR { 588}
( segid " " and resid 41 and name HG1%)
(( segid " " and resid 41 and name HN ))
ASSI { 590}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 42 and name HN ))
2.900 1.000 1.000 peak 590 spectrum 3 weight .10000E+01 volume .16717E-02 ppm1 4.348 ppm2 9.182 CV 1
ASSI { 591}
(( segid " " and resid 41 and name HB ))
(( segid " " and resid 42 and name HN ))
3.600 1.600 1.600 peak 591 spectrum 3 weight .10000E+01 volume .47439E-03 ppm1 2.069 ppm2 9.188 CV 1
ASSI { 592}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 42 and name HN ))
3.000 1.100 1.100 peak 592 spectrum 3 weight .10000E+01 volume .12865E-02 ppm1 .875 ppm2 9.186 CV 1
OR { 592}
( segid " " and resid 41 and name HG1%)
(( segid " " and resid 42 and name HN ))
ASSI { 593}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HN ))
3.500 1.600 1.600 peak 593 spectrum 3 weight .10000E+01 volume .50720E-03 ppm1 4.903 ppm2 9.189 CV 1
ASSI { 594}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HN ))
3.600 1.600 1.600 peak 594 spectrum 3 weight .10000E+01 volume .45987E-03 ppm1 3.443 ppm2 9.185 CV 1
ASSI { 595}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 42 and name HN ))
3.600 1.600 1.600 peak 595 spectrum 3 weight .10000E+01 volume .45539E-03 ppm1 3.162 ppm2 9.185 CV 1
ASSI { 598}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 43 and name HN ))
3.300 1.400 1.400 peak 598 spectrum 3 weight .10000E+01 volume .72797E-03 ppm1 4.347 ppm2 7.767 CV 1
ASSI { 599}
(( segid " " and resid 41 and name HB ))
(( segid " " and resid 43 and name HN ))
2.900 1.000 1.000 peak 599 spectrum 3 weight .10000E+01 volume .16850E-02 ppm1 2.072 ppm2 7.769 CV 1
ASSI { 600}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 43 and name HN ))
3.000 1.100 1.100 peak 600 spectrum 3 weight .10000E+01 volume .14683E-02 ppm1 .874 ppm2 7.766 CV 1
OR { 600}
( segid " " and resid 41 and name HG1%)
(( segid " " and resid 43 and name HN ))
ASSI { 601}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 43 and name HN ))
2.700 .900 .900 peak 601 spectrum 3 weight .10000E+01 volume .23285E-02 ppm1 4.902 ppm2 7.768 CV 1
ASSI { 602}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 43 and name HN ))
3.400 1.400 1.400 peak 602 spectrum 3 weight .10000E+01 volume .66587E-03 ppm1 3.443 ppm2 7.763 CV 1
ASSI { 603}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 43 and name HN ))
3.200 1.300 1.300 peak 603 spectrum 3 weight .10000E+01 volume .93718E-03 ppm1 3.162 ppm2 7.764 CV 1
ASSI { 604}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 43 and name HN ))
3.100 1.200 1.200 peak 604 spectrum 3 weight .10000E+01 volume .11528E-02 ppm1 9.182 ppm2 7.768 CV 1
ASSI { 605}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HN ))
3.000 1.100 1.100 peak 605 spectrum 3 weight .10000E+01 volume .13360E-02 ppm1 4.850 ppm2 7.767 CV 1
ASSI { 606}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 43 and name HN ))
3.500 1.500 1.500 peak 606 spectrum 3 weight .10000E+01 volume .52522E-03 ppm1 4.709 ppm2 7.768 CV 1
ASSI { 607}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 43 and name HN ))
2.900 1.000 1.000 peak 607 spectrum 3 weight .10000E+01 volume .16979E-02 ppm1 1.255 ppm2 7.766 CV 1
ASSI { 609}
(( segid " " and resid 46 and name HG2 ))
(( segid " " and resid 43 and name HN ))
3.200 1.300 1.300 peak 609 spectrum 3 weight .10000E+01 volume .93748E-03 ppm1 2.430 ppm2 7.768 CV 1
ASSI { 610}
(( segid " " and resid 46 and name HG3 ))
(( segid " " and resid 43 and name HN ))
3.000 1.100 1.100 peak 610 spectrum 3 weight .10000E+01 volume .12487E-02 ppm1 2.361 ppm2 7.768 CV 1
ASSI { 611}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HN ))
2.500 .800 .800 peak 611 spectrum 3 weight .10000E+01 volume .38691E-02 ppm1 4.849 ppm2 8.815 CV 1
ASSI { 612}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 44 and name HN ))
2.700 .900 .900 peak 612 spectrum 3 weight .10000E+01 volume .25006E-02 ppm1 4.709 ppm2 8.815 CV 1
ASSI { 613}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 44 and name HN ))
3.000 1.100 1.100 peak 613 spectrum 3 weight .10000E+01 volume .12591E-02 ppm1 1.252 ppm2 8.819 CV 1
ASSI { 614}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HN ))
2.800 1.000 1.000 peak 614 spectrum 3 weight .10000E+01 volume .18539E-02 ppm1 4.019 ppm2 8.815 CV 1
ASSI { 615}
(( segid " " and resid 44 and name HB ))
(( segid " " and resid 44 and name HN ))
2.800 1.000 1.000 peak 615 spectrum 3 weight .10000E+01 volume .20967E-02 ppm1 1.911 ppm2 8.817 CV 1
ASSI { 616}
( segid " " and resid 44 and name HD1%)
(( segid " " and resid 44 and name HN ))
3.000 1.100 1.100 peak 616 spectrum 3 weight .10000E+01 volume .12861E-02 ppm1 .953 ppm2 8.821 CV 1
ASSI { 617}
(( segid " " and resid 44 and name HG12))
(( segid " " and resid 44 and name HN ))
3.000 1.100 1.100 peak 617 spectrum 3 weight .10000E+01 volume .13215E-02 ppm1 1.534 ppm2 8.817 CV 1
ASSI { 618}
(( segid " " and resid 44 and name HG13))
(( segid " " and resid 44 and name HN ))
3.300 1.400 1.400 peak 618 spectrum 3 weight .10000E+01 volume .76777E-03 ppm1 1.371 ppm2 8.817 CV 1
ASSI { 619}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 44 and name HN ))
2.600 .800 .800 peak 619 spectrum 3 weight .10000E+01 volume .31067E-02 ppm1 .988 ppm2 8.821 CV 1
ASSI { 622}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 45 and name HN ))
2.800 1.000 1.000 peak 622 spectrum 3 weight .10000E+01 volume .19332E-02 ppm1 4.849 ppm2 8.751 CV 1
ASSI { 623}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 45 and name HN ))
2.500 .800 .800 peak 623 spectrum 3 weight .10000E+01 volume .37252E-02 ppm1 4.709 ppm2 8.752 CV 1
ASSI { 624}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 45 and name HN ))
3.000 1.200 1.200 peak 624 spectrum 3 weight .10000E+01 volume .12052E-02 ppm1 1.252 ppm2 8.756 CV 1
ASSI { 625}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 45 and name HN ))
2.900 1.100 1.100 peak 625 spectrum 3 weight .10000E+01 volume .14941E-02 ppm1 4.019 ppm2 8.752 CV 1
ASSI { 626}
(( segid " " and resid 44 and name HB ))
(( segid " " and resid 45 and name HN ))
2.600 .900 .900 peak 626 spectrum 3 weight .10000E+01 volume .28614E-02 ppm1 1.911 ppm2 8.753 CV 1
ASSI { 627}
( segid " " and resid 44 and name HD1%)
(( segid " " and resid 45 and name HN ))
2.900 1.000 1.000 peak 627 spectrum 3 weight .10000E+01 volume .16995E-02 ppm1 .954 ppm2 8.752 CV 1
ASSI { 628}
(( segid " " and resid 44 and name HG12))
(( segid " " and resid 45 and name HN ))
3.400 1.500 1.500 peak 628 spectrum 3 weight .10000E+01 volume .61730E-03 ppm1 1.534 ppm2 8.756 CV 1
ASSI { 629}
(( segid " " and resid 44 and name HG13))
(( segid " " and resid 45 and name HN ))
3.400 1.400 1.400 peak 629 spectrum 3 weight .10000E+01 volume .68220E-03 ppm1 1.371 ppm2 8.756 CV 1
ASSI { 630}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 45 and name HN ))
2.500 .800 .800 peak 630 spectrum 3 weight .10000E+01 volume .36633E-02 ppm1 .988 ppm2 8.752 CV 1
ASSI { 631}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HN ))
2.500 .800 .800 peak 631 spectrum 3 weight .10000E+01 volume .39349E-02 ppm1 8.822 ppm2 8.754 CV 1
ASSI { 632}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HN ))
2.500 .800 .800 peak 632 spectrum 3 weight .10000E+01 volume .43976E-02 ppm1 4.122 ppm2 8.752 CV 1
ASSI { 633}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HN ))
2.400 .700 .700 peak 633 spectrum 3 weight .10000E+01 volume .50346E-02 ppm1 2.105 ppm2 8.753 CV 1
ASSI { 634}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HN ))
2.500 .800 .800 peak 634 spectrum 3 weight .10000E+01 volume .44405E-02 ppm1 1.967 ppm2 8.753 CV 1
ASSI { 635}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 45 and name HN ))
2.800 1.000 1.000 peak 635 spectrum 3 weight .10000E+01 volume .18256E-02 ppm1 2.451 ppm2 8.752 CV 1
ASSI { 636}
(( segid " " and resid 45 and name HG3 ))
(( segid " " and resid 45 and name HN ))
2.700 .900 .900 peak 636 spectrum 3 weight .10000E+01 volume .25424E-02 ppm1 2.314 ppm2 8.752 CV 1
ASSI { 638}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HN ))
2.600 .800 .800 peak 638 spectrum 3 weight .10000E+01 volume .34507E-02 ppm1 7.890 ppm2 8.753 CV 1
ASSI { 639}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 45 and name HN ))
3.600 1.600 1.600 peak 639 spectrum 3 weight .10000E+01 volume .43471E-03 ppm1 7.814 ppm2 8.754 CV 1
ASSI { 640}
( segid " " and resid 41 and name HG1%)
(( segid " " and resid 46 and name HN ))
3.300 1.400 1.400 peak 640 spectrum 3 weight .10000E+01 volume .69780E-03 ppm1 .873 ppm2 7.889 CV 1
OR { 640}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 46 and name HN ))
ASSI { 641}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 46 and name HN ))
3.600 1.600 1.600 peak 641 spectrum 3 weight .10000E+01 volume .43328E-03 ppm1 4.851 ppm2 7.890 CV 1
ASSI { 642}
(( segid " " and resid 43 and name HB ))
(( segid " " and resid 46 and name HN ))
3.400 1.400 1.400 peak 642 spectrum 3 weight .10000E+01 volume .64364E-03 ppm1 4.710 ppm2 7.890 CV 1
ASSI { 643}
( segid " " and resid 43 and name HG2%)
(( segid " " and resid 46 and name HN ))
3.300 1.400 1.400 peak 643 spectrum 3 weight .10000E+01 volume .70102E-03 ppm1 1.252 ppm2 7.889 CV 1
ASSI { 644}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 46 and name HN ))
3.300 1.400 1.400 peak 644 spectrum 3 weight .10000E+01 volume .70454E-03 ppm1 4.017 ppm2 7.888 CV 1
ASSI { 645}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 46 and name HN ))
3.200 1.300 1.300 peak 645 spectrum 3 weight .10000E+01 volume .82705E-03 ppm1 8.814 ppm2 7.888 CV 1
ASSI { 646}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 46 and name HN ))
2.900 1.100 1.100 peak 646 spectrum 3 weight .10000E+01 volume .15101E-02 ppm1 4.122 ppm2 7.890 CV 1
ASSI { 648}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HN ))
2.500 .800 .800 peak 648 spectrum 3 weight .10000E+01 volume .37896E-02 ppm1 4.158 ppm2 7.890 CV 1
ASSI { 649}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 46 and name HN ))
2.600 .800 .800 peak 649 spectrum 3 weight .10000E+01 volume .33741E-02 ppm1 2.094 ppm2 7.888 CV 1
ASSI { 650}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 46 and name HN ))
2.900 1.100 1.100 peak 650 spectrum 3 weight .10000E+01 volume .15710E-02 ppm1 1.968 ppm2 7.888 CV 1
ASSI { 651}
(( segid " " and resid 46 and name HG2 ))
(( segid " " and resid 46 and name HN ))
2.600 .800 .800 peak 651 spectrum 3 weight .10000E+01 volume .31256E-02 ppm1 2.429 ppm2 7.888 CV 1
ASSI { 652}
(( segid " " and resid 46 and name HG3 ))
(( segid " " and resid 46 and name HN ))
2.500 .800 .800 peak 652 spectrum 3 weight .10000E+01 volume .40146E-02 ppm1 2.358 ppm2 7.889 CV 1
ASSI { 654}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HN ))
2.700 .900 .900 peak 654 spectrum 3 weight .10000E+01 volume .22573E-02 ppm1 7.812 ppm2 7.888 CV 1
ASSI { 655}
( segid " " and resid 41 and name HG1%)
(( segid " " and resid 47 and name HN ))
2.900 1.000 1.000 peak 655 spectrum 3 weight .10000E+01 volume .17679E-02 ppm1 .876 ppm2 7.815 CV 1
OR { 655}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 47 and name HN ))
ASSI { 656}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 47 and name HN ))
2.900 1.100 1.100 peak 656 spectrum 3 weight .10000E+01 volume .16044E-02 ppm1 4.019 ppm2 7.814 CV 1
ASSI { 657}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 47 and name HN ))
3.400 1.500 1.500 peak 657 spectrum 3 weight .10000E+01 volume .60390E-03 ppm1 4.121 ppm2 7.814 CV 1
ASSI { 658}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 47 and name HN ))
3.100 1.200 1.200 peak 658 spectrum 3 weight .10000E+01 volume .10154E-02 ppm1 4.156 ppm2 7.814 CV 1
ASSI { 661}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HN ))
2.900 1.100 1.100 peak 661 spectrum 3 weight .10000E+01 volume .16270E-02 ppm1 3.954 ppm2 7.814 CV 1
ASSI { 662}
(( segid " " and resid 47 and name HB ))
(( segid " " and resid 47 and name HN ))
2.700 .900 .900 peak 662 spectrum 3 weight .10000E+01 volume .25020E-02 ppm1 2.036 ppm2 7.814 CV 1
ASSI { 663}
( segid " " and resid 47 and name HD1%)
(( segid " " and resid 47 and name HN ))
2.900 1.000 1.000 peak 663 spectrum 3 weight .10000E+01 volume .17924E-02 ppm1 .908 ppm2 7.815 CV 1
ASSI { 664}
(( segid " " and resid 47 and name HG12))
(( segid " " and resid 47 and name HN ))
3.100 1.200 1.200 peak 664 spectrum 3 weight .10000E+01 volume .11658E-02 ppm1 1.530 ppm2 7.814 CV 1
OR { 664}
(( segid " " and resid 47 and name HG13))
(( segid " " and resid 47 and name HN ))
ASSI { 665}
( segid " " and resid 47 and name HG2%)
(( segid " " and resid 47 and name HN ))
2.700 .900 .900 peak 665 spectrum 3 weight .10000E+01 volume .23864E-02 ppm1 1.092 ppm2 7.814 CV 1
ASSI { 667}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HN ))
3.100 1.200 1.200 peak 667 spectrum 3 weight .10000E+01 volume .11964E-02 ppm1 8.560 ppm2 7.814 CV 1
ASSI { 670}
( segid " " and resid 50 and name HD2%)
(( segid " " and resid 47 and name HN ))
3.500 1.500 1.500 peak 670 spectrum 3 weight .10000E+01 volume .55303E-03 ppm1 .491 ppm2 7.817 CV 1
ASSI { 671}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 48 and name HN ))
2.500 .800 .800 peak 671 spectrum 3 weight .10000E+01 volume .40946E-02 ppm1 4.023 ppm2 8.556 CV 1
ASSI { 672}
( segid " " and resid 44 and name HD1%)
(( segid " " and resid 48 and name HN ))
3.100 1.200 1.200 peak 672 spectrum 3 weight .10000E+01 volume .11145E-02 ppm1 .954 ppm2 8.556 CV 1
ASSI { 673}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 48 and name HN ))
2.800 1.000 1.000 peak 673 spectrum 3 weight .10000E+01 volume .21713E-02 ppm1 4.123 ppm2 8.555 CV 1
ASSI { 674}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 48 and name HN ))
2.900 1.100 1.100 peak 674 spectrum 3 weight .10000E+01 volume .15830E-02 ppm1 4.157 ppm2 8.555 CV 1
ASSI { 675}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 48 and name HN ))
3.700 1.700 1.700 peak 675 spectrum 3 weight .10000E+01 volume .36614E-03 ppm1 7.889 ppm2 8.557 CV 1
ASSI { 676}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 48 and name HN ))
2.800 1.000 1.000 peak 676 spectrum 3 weight .10000E+01 volume .18264E-02 ppm1 3.953 ppm2 8.556 CV 1
ASSI { 677}
( segid " " and resid 47 and name HG2%)
(( segid " " and resid 48 and name HN ))
2.700 .900 .900 peak 677 spectrum 3 weight .10000E+01 volume .22888E-02 ppm1 1.092 ppm2 8.556 CV 1
ASSI { 678}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HN ))
2.400 .700 .700 peak 678 spectrum 3 weight .10000E+01 volume .52382E-02 ppm1 3.996 ppm2 8.556 CV 1
ASSI { 679}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HN ))
2.600 .900 .900 peak 679 spectrum 3 weight .10000E+01 volume .29791E-02 ppm1 2.144 ppm2 8.555 CV 1
ASSI { 680}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HN ))
2.500 .800 .800 peak 680 spectrum 3 weight .10000E+01 volume .36517E-02 ppm1 2.037 ppm2 8.555 CV 1
ASSI { 681}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 48 and name HN ))
2.700 .900 .900 peak 681 spectrum 3 weight .10000E+01 volume .23999E-02 ppm1 2.510 ppm2 8.555 CV 1
ASSI { 682}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 48 and name HN ))
2.700 .900 .900 peak 682 spectrum 3 weight .10000E+01 volume .23024E-02 ppm1 2.265 ppm2 8.555 CV 1
ASSI { 684}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HN ))
2.700 .900 .900 peak 684 spectrum 3 weight .10000E+01 volume .24173E-02 ppm1 8.028 ppm2 8.556 CV 1
ASSI { 685}
( segid " " and resid 51 and name HD1%)
(( segid " " and resid 48 and name HN ))
3.500 1.500 1.500 peak 685 spectrum 3 weight .10000E+01 volume .54372E-03 ppm1 .770 ppm2 8.556 CV 1
ASSI { 686}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 49 and name HN ))
2.800 1.000 1.000 peak 686 spectrum 3 weight .10000E+01 volume .19353E-02 ppm1 4.122 ppm2 8.032 CV 1
ASSI { 687}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 49 and name HN ))
2.800 1.000 1.000 peak 687 spectrum 3 weight .10000E+01 volume .18713E-02 ppm1 4.154 ppm2 8.032 CV 1
ASSI { 688}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 49 and name HN ))
2.400 .700 .700 peak 688 spectrum 3 weight .10000E+01 volume .47618E-02 ppm1 3.953 ppm2 8.031 CV 1
ASSI { 689}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 49 and name HN ))
2.700 .900 .900 peak 689 spectrum 3 weight .10000E+01 volume .22762E-02 ppm1 7.814 ppm2 8.031 CV 1
ASSI { 690}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 49 and name HN ))
3.000 1.100 1.100 peak 690 spectrum 3 weight .10000E+01 volume .13348E-02 ppm1 2.145 ppm2 8.033 CV 1
ASSI { 691}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 49 and name HN ))
2.900 1.100 1.100 peak 691 spectrum 3 weight .10000E+01 volume .16090E-02 ppm1 2.038 ppm2 8.033 CV 1
ASSI { 692}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 49 and name HN ))
3.600 1.600 1.600 peak 692 spectrum 3 weight .10000E+01 volume .42348E-03 ppm1 2.511 ppm2 8.033 CV 1
ASSI { 695}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HN ))
2.700 .900 .900 peak 695 spectrum 3 weight .10000E+01 volume .23998E-02 ppm1 7.842 ppm2 8.031 CV 1
ASSI { 696}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 49 and name HN ))
2.800 1.000 1.000 peak 696 spectrum 3 weight .10000E+01 volume .18659E-02 ppm1 8.583 ppm2 8.031 CV 1
ASSI { 697}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 50 and name HN ))
2.800 1.000 1.000 peak 697 spectrum 3 weight .10000E+01 volume .21162E-02 ppm1 4.154 ppm2 7.836 CV 1
ASSI { 698}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 50 and name HN ))
2.700 .900 .900 peak 698 spectrum 3 weight .10000E+01 volume .26760E-02 ppm1 3.950 ppm2 7.836 CV 1
ASSI { 699}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 50 and name HN ))
2.800 1.000 1.000 peak 699 spectrum 3 weight .10000E+01 volume .21123E-02 ppm1 8.556 ppm2 7.835 CV 1
ASSI { 701}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HN ))
2.700 .900 .900 peak 701 spectrum 3 weight .10000E+01 volume .27188E-02 ppm1 4.180 ppm2 7.836 CV 1
ASSI { 702}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 50 and name HN ))
2.800 1.000 1.000 peak 702 spectrum 3 weight .10000E+01 volume .20885E-02 ppm1 1.900 ppm2 7.835 CV 1
ASSI { 703}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 50 and name HN ))
2.700 .900 .900 peak 703 spectrum 3 weight .10000E+01 volume .24528E-02 ppm1 1.738 ppm2 7.836 CV 1
ASSI { 704}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 50 and name HN ))
2.800 1.000 1.000 peak 704 spectrum 3 weight .10000E+01 volume .21229E-02 ppm1 .723 ppm2 7.839 CV 1
ASSI { 705}
( segid " " and resid 50 and name HD2%)
(( segid " " and resid 50 and name HN ))
2.800 1.000 1.000 peak 705 spectrum 3 weight .10000E+01 volume .21390E-02 ppm1 .493 ppm2 7.839 CV 1
ASSI { 706}
(( segid " " and resid 50 and name HG ))
(( segid " " and resid 50 and name HN ))
3.000 1.100 1.100 peak 706 spectrum 3 weight .10000E+01 volume .14357E-02 ppm1 1.265 ppm2 7.837 CV 1
ASSI { 708}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HN ))
2.700 .900 .900 peak 708 spectrum 3 weight .10000E+01 volume .23649E-02 ppm1 8.581 ppm2 7.836 CV 1
ASSI { 709}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 50 and name HN ))
3.500 1.600 1.600 peak 709 spectrum 3 weight .10000E+01 volume .49804E-03 ppm1 8.289 ppm2 7.836 CV 1
ASSI { 710}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 50 and name HN ))
3.300 1.400 1.400 peak 710 spectrum 3 weight .10000E+01 volume .70800E-03 ppm1 1.598 ppm2 7.836 CV 1
ASSI { 711}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 51 and name HN ))
3.300 1.400 1.400 peak 711 spectrum 3 weight .10000E+01 volume .75759E-03 ppm1 3.951 ppm2 8.583 CV 1
ASSI { 712}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 51 and name HN ))
3.400 1.500 1.500 peak 712 spectrum 3 weight .10000E+01 volume .58232E-03 ppm1 4.175 ppm2 8.584 CV 1
ASSI { 713}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 51 and name HN ))
3.000 1.100 1.100 peak 713 spectrum 3 weight .10000E+01 volume .14271E-02 ppm1 1.899 ppm2 8.582 CV 1
ASSI { 714}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 51 and name HN ))
3.500 1.500 1.500 peak 714 spectrum 3 weight .10000E+01 volume .54139E-03 ppm1 1.739 ppm2 8.582 CV 1
ASSI { 715}
( segid " " and resid 50 and name HD2%)
(( segid " " and resid 51 and name HN ))
3.200 1.300 1.300 peak 715 spectrum 3 weight .10000E+01 volume .85688E-03 ppm1 .493 ppm2 8.582 CV 1
ASSI { 716}
(( segid " " and resid 50 and name HG ))
(( segid " " and resid 51 and name HN ))
3.300 1.400 1.400 peak 716 spectrum 3 weight .10000E+01 volume .73091E-03 ppm1 1.265 ppm2 8.584 CV 1
ASSI { 718}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HN ))
3.100 1.200 1.200 peak 718 spectrum 3 weight .10000E+01 volume .10766E-02 ppm1 3.759 ppm2 8.582 CV 1
ASSI { 719}
(( segid " " and resid 51 and name HB ))
(( segid " " and resid 51 and name HN ))
2.700 .900 .900 peak 719 spectrum 3 weight .10000E+01 volume .26009E-02 ppm1 1.944 ppm2 8.584 CV 1
ASSI { 720}
( segid " " and resid 51 and name HD1%)
(( segid " " and resid 51 and name HN ))
3.000 1.100 1.100 peak 720 spectrum 3 weight .10000E+01 volume .13616E-02 ppm1 .767 ppm2 8.582 CV 1
ASSI { 721}
(( segid " " and resid 51 and name HG13))
(( segid " " and resid 51 and name HN ))
3.100 1.200 1.200 peak 721 spectrum 3 weight .10000E+01 volume .10905E-02 ppm1 1.803 ppm2 8.582 CV 1
OR { 721}
(( segid " " and resid 51 and name HG12))
(( segid " " and resid 51 and name HN ))
ASSI { 722}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 51 and name HN ))
2.800 .900 .900 peak 722 spectrum 3 weight .10000E+01 volume .22251E-02 ppm1 .989 ppm2 8.582 CV 1
ASSI { 725}
( segid " " and resid 121 and name HD1%)
(( segid " " and resid 51 and name HN ))
3.400 1.500 1.500 peak 725 spectrum 3 weight .10000E+01 volume .58844E-03 ppm1 .647 ppm2 8.582 CV 1
ASSI { 727}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 52 and name HN ))
3.300 1.400 1.400 peak 727 spectrum 3 weight .10000E+01 volume .76865E-03 ppm1 3.759 ppm2 8.276 CV 1
ASSI { 728}
(( segid " " and resid 51 and name HB ))
(( segid " " and resid 52 and name HN ))
2.800 1.000 1.000 peak 728 spectrum 3 weight .10000E+01 volume .21916E-02 ppm1 1.943 ppm2 8.279 CV 1
ASSI { 729}
( segid " " and resid 51 and name HD1%)
(( segid " " and resid 52 and name HN ))
3.400 1.400 1.400 peak 729 spectrum 3 weight .10000E+01 volume .64999E-03 ppm1 .767 ppm2 8.279 CV 1
ASSI { 730}
(( segid " " and resid 51 and name HG13))
(( segid " " and resid 52 and name HN ))
3.300 1.400 1.400 peak 730 spectrum 3 weight .10000E+01 volume .69861E-03 ppm1 1.803 ppm2 8.279 CV 1
OR { 730}
(( segid " " and resid 51 and name HG12))
(( segid " " and resid 52 and name HN ))
ASSI { 731}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 52 and name HN ))
2.900 1.000 1.000 peak 731 spectrum 3 weight .10000E+01 volume .17150E-02 ppm1 .989 ppm2 8.280 CV 1
ASSI { 732}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 52 and name HN ))
2.900 1.100 1.100 peak 732 spectrum 3 weight .10000E+01 volume .15272E-02 ppm1 8.580 ppm2 8.279 CV 1
ASSI { 733}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HN ))
2.600 .900 .900 peak 733 spectrum 3 weight .10000E+01 volume .28999E-02 ppm1 4.388 ppm2 8.279 CV 1
ASSI { 734}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HN ))
2.400 .700 .700 peak 734 spectrum 3 weight .10000E+01 volume .55223E-02 ppm1 4.065 ppm2 8.279 CV 1
OR { 734}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 52 and name HN ))
ASSI { 736}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HN ))
2.700 .900 .900 peak 736 spectrum 3 weight .10000E+01 volume .24340E-02 ppm1 8.170 ppm2 8.279 CV 1
ASSI { 737}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 52 and name HN ))
3.000 1.100 1.100 peak 737 spectrum 3 weight .10000E+01 volume .13316E-02 ppm1 8.387 ppm2 8.278 CV 1
ASSI { 738}
(( segid " " and resid 49 and name HA1 ))
(( segid " " and resid 53 and name HN ))
3.300 1.400 1.400 peak 738 spectrum 3 weight .10000E+01 volume .68673E-03 ppm1 3.993 ppm2 8.170 CV 1
OR { 738}
(( segid " " and resid 49 and name HA2 ))
(( segid " " and resid 53 and name HN ))
ASSI { 739}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 53 and name HN ))
2.900 1.000 1.000 peak 739 spectrum 3 weight .10000E+01 volume .17735E-02 ppm1 4.179 ppm2 8.167 CV 1
ASSI { 740}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 53 and name HN ))
3.400 1.400 1.400 peak 740 spectrum 3 weight .10000E+01 volume .65536E-03 ppm1 .715 ppm2 8.167 CV 1
ASSI { 741}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 53 and name HN ))
3.300 1.400 1.400 peak 741 spectrum 3 weight .10000E+01 volume .69745E-03 ppm1 8.584 ppm2 8.171 CV 1
ASSI { 742}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 53 and name HN ))
2.900 1.000 1.000 peak 742 spectrum 3 weight .10000E+01 volume .17115E-02 ppm1 4.389 ppm2 8.168 CV 1
ASSI { 743}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 53 and name HN ))
2.500 .800 .800 peak 743 spectrum 3 weight .10000E+01 volume .43542E-02 ppm1 4.064 ppm2 8.170 CV 1
OR { 743}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 53 and name HN ))
ASSI { 745}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HN ))
2.500 .800 .800 peak 745 spectrum 3 weight .10000E+01 volume .43641E-02 ppm1 4.297 ppm2 8.167 CV 1
ASSI { 746}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 53 and name HN ))
2.100 .600 .600 peak 746 spectrum 3 weight .10000E+01 volume .11030E-01 ppm1 1.598 ppm2 8.176 CV 1
ASSI { 748}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HN ))
2.800 1.000 1.000 peak 748 spectrum 3 weight .10000E+01 volume .19898E-02 ppm1 8.386 ppm2 8.169 CV 1
ASSI { 749}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 53 and name HN ))
3.500 1.500 1.500 peak 749 spectrum 3 weight .10000E+01 volume .57069E-03 ppm1 8.860 ppm2 8.173 CV 1
ASSI { 750}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 54 and name HN ))
3.300 1.300 1.300 peak 750 spectrum 3 weight .10000E+01 volume .81770E-03 ppm1 3.760 ppm2 8.378 CV 1
ASSI { 751}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 54 and name HN ))
3.300 1.400 1.400 peak 751 spectrum 3 weight .10000E+01 volume .76827E-03 ppm1 4.384 ppm2 8.380 CV 1
ASSI { 753}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 54 and name HN ))
3.300 1.300 1.300 peak 753 spectrum 3 weight .10000E+01 volume .80899E-03 ppm1 4.296 ppm2 8.380 CV 1
ASSI { 754}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 54 and name HN ))
2.600 .900 .900 peak 754 spectrum 3 weight .10000E+01 volume .28116E-02 ppm1 1.599 ppm2 8.377 CV 1
ASSI { 756}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HN ))
2.700 .900 .900 peak 756 spectrum 3 weight .10000E+01 volume .22646E-02 ppm1 4.964 ppm2 8.377 CV 1
ASSI { 757}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HN ))
2.700 .900 .900 peak 757 spectrum 3 weight .10000E+01 volume .26308E-02 ppm1 3.361 ppm2 8.377 CV 1
ASSI { 758}
(( segid " " and resid 54 and name HB3 ))
(( segid " " and resid 54 and name HN ))
2.600 .900 .900 peak 758 spectrum 3 weight .10000E+01 volume .28202E-02 ppm1 3.098 ppm2 8.377 CV 1
ASSI { 761}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 54 and name HN ))
3.400 1.400 1.400 peak 761 spectrum 3 weight .10000E+01 volume .68472E-03 ppm1 8.242 ppm2 8.377 CV 1
ASSI { 762}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 54 and name HN ))
3.200 1.300 1.300 peak 762 spectrum 3 weight .10000E+01 volume .89352E-03 ppm1 3.472 ppm2 8.377 CV 1
ASSI { 763}
( segid " " and resid 121 and name HD1%)
(( segid " " and resid 54 and name HN ))
3.300 1.400 1.400 peak 763 spectrum 3 weight .10000E+01 volume .71819E-03 ppm1 .655 ppm2 8.377 CV 1
ASSI { 764}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 55 and name HN ))
3.300 1.400 1.400 peak 764 spectrum 3 weight .10000E+01 volume .74495E-03 ppm1 3.760 ppm2 8.850 CV 1
ASSI { 765}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 55 and name HN ))
2.500 .800 .800 peak 765 spectrum 3 weight .10000E+01 volume .36667E-02 ppm1 4.385 ppm2 8.855 CV 1
ASSI { 766}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 55 and name HN ))
3.400 1.400 1.400 peak 766 spectrum 3 weight .10000E+01 volume .63352E-03 ppm1 4.298 ppm2 8.854 CV 1
ASSI { 768}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 55 and name HN ))
3.100 1.200 1.200 peak 768 spectrum 3 weight .10000E+01 volume .10837E-02 ppm1 4.964 ppm2 8.854 CV 1
ASSI { 769}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 55 and name HN ))
3.000 1.100 1.100 peak 769 spectrum 3 weight .10000E+01 volume .14567E-02 ppm1 3.362 ppm2 8.854 CV 1
ASSI { 770}
(( segid " " and resid 54 and name HB3 ))
(( segid " " and resid 55 and name HN ))
2.900 1.000 1.000 peak 770 spectrum 3 weight .10000E+01 volume .17989E-02 ppm1 3.096 ppm2 8.854 CV 1
ASSI { 771}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 55 and name HN ))
2.700 .900 .900 peak 771 spectrum 3 weight .10000E+01 volume .23338E-02 ppm1 8.376 ppm2 8.854 CV 1
ASSI { 772}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HN ))
2.500 .800 .800 peak 772 spectrum 3 weight .10000E+01 volume .41435E-02 ppm1 4.365 ppm2 8.855 CV 1
ASSI { 773}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 55 and name HN ))
2.500 .800 .800 peak 773 spectrum 3 weight .10000E+01 volume .42690E-02 ppm1 2.934 ppm2 8.854 CV 1
ASSI { 774}
(( segid " " and resid 55 and name HB3 ))
(( segid " " and resid 55 and name HN ))
2.600 .900 .900 peak 774 spectrum 3 weight .10000E+01 volume .29718E-02 ppm1 2.727 ppm2 8.855 CV 1
ASSI { 777}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 56 and name HN ))
2.600 .900 .900 peak 777 spectrum 3 weight .10000E+01 volume .28001E-02 ppm1 4.383 ppm2 8.239 CV 1
ASSI { 778}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 56 and name HN ))
2.700 .900 .900 peak 778 spectrum 3 weight .10000E+01 volume .23460E-02 ppm1 4.297 ppm2 8.239 CV 1
ASSI { 779}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 56 and name HN ))
3.100 1.200 1.200 peak 779 spectrum 3 weight .10000E+01 volume .11011E-02 ppm1 1.599 ppm2 8.238 CV 1
ASSI { 780}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 56 and name HN ))
3.600 1.600 1.600 peak 780 spectrum 3 weight .10000E+01 volume .48071E-03 ppm1 4.960 ppm2 8.239 CV 1
ASSI { 782}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 56 and name HN ))
2.600 .900 .900 peak 782 spectrum 3 weight .10000E+01 volume .29672E-02 ppm1 4.365 ppm2 8.239 CV 1
ASSI { 783}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 56 and name HN ))
2.700 .900 .900 peak 783 spectrum 3 weight .10000E+01 volume .25538E-02 ppm1 2.934 ppm2 8.238 CV 1
ASSI { 784}
(( segid " " and resid 55 and name HB3 ))
(( segid " " and resid 56 and name HN ))
2.800 1.000 1.000 peak 784 spectrum 3 weight .10000E+01 volume .20698E-02 ppm1 2.726 ppm2 8.239 CV 1
ASSI { 785}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 56 and name HN ))
2.600 .800 .800 peak 785 spectrum 3 weight .10000E+01 volume .31027E-02 ppm1 8.859 ppm2 8.239 CV 1
ASSI { 786}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HN ))
2.500 .800 .800 peak 786 spectrum 3 weight .10000E+01 volume .40847E-02 ppm1 4.113 ppm2 8.240 CV 1
ASSI { 787}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HN ))
2.100 .600 .600 peak 787 spectrum 3 weight .10000E+01 volume .10742E-01 ppm1 2.319 ppm2 8.238 CV 1
OR { 787}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HN ))
ASSI { 788}
(( segid " " and resid 56 and name HG2 ))
(( segid " " and resid 56 and name HN ))
2.600 .900 .900 peak 788 spectrum 3 weight .10000E+01 volume .29878E-02 ppm1 2.554 ppm2 8.238 CV 1
ASSI { 789}
(( segid " " and resid 56 and name HG3 ))
(( segid " " and resid 56 and name HN ))
2.600 .800 .800 peak 789 spectrum 3 weight .10000E+01 volume .31771E-02 ppm1 2.454 ppm2 8.238 CV 1
ASSI { 791}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HN ))
2.600 .900 .900 peak 791 spectrum 3 weight .10000E+01 volume .30554E-02 ppm1 8.465 ppm2 8.238 CV 1
ASSI { 792}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 56 and name HN ))
3.600 1.600 1.600 peak 792 spectrum 3 weight .10000E+01 volume .42179E-03 ppm1 9.021 ppm2 8.238 CV 1
ASSI { 795}
(( segid " " and resid 56 and name HE22))
(( segid " " and resid 56 and name HE21))
1.800 .400 .400 peak 795 spectrum 3 weight .10000E+01 volume .26374E-01 ppm1 6.908 ppm2 7.600 CV 1
ASSI { 797}
(( segid " " and resid 56 and name HG2 ))
(( segid " " and resid 56 and name HE21))
3.200 1.300 1.300 peak 797 spectrum 3 weight .10000E+01 volume .83854E-03 ppm1 2.553 ppm2 7.602 CV 1
ASSI { 798}
(( segid " " and resid 56 and name HG2 ))
(( segid " " and resid 56 and name HE22))
3.000 1.200 1.200 peak 798 spectrum 3 weight .10000E+01 volume .12342E-02 ppm1 2.554 ppm2 6.905 CV 1
ASSI { 799}
(( segid " " and resid 56 and name HG3 ))
(( segid " " and resid 56 and name HE21))
3.200 1.300 1.300 peak 799 spectrum 3 weight .10000E+01 volume .90336E-03 ppm1 2.454 ppm2 7.602 CV 1
ASSI { 800}
(( segid " " and resid 56 and name HG3 ))
(( segid " " and resid 56 and name HE22))
3.100 1.200 1.200 peak 800 spectrum 3 weight .10000E+01 volume .10034E-02 ppm1 2.456 ppm2 6.905 CV 1
ASSI { 801}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 57 and name HN ))
3.500 1.600 1.600 peak 801 spectrum 3 weight .10000E+01 volume .49457E-03 ppm1 4.300 ppm2 8.466 CV 1
ASSI { 802}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 57 and name HN ))
2.900 1.100 1.100 peak 802 spectrum 3 weight .10000E+01 volume .15704E-02 ppm1 4.961 ppm2 8.466 CV 1
ASSI { 803}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 57 and name HN ))
2.900 1.000 1.000 peak 803 spectrum 3 weight .10000E+01 volume .17082E-02 ppm1 4.365 ppm2 8.466 CV 1
ASSI { 804}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 57 and name HN ))
3.300 1.400 1.400 peak 804 spectrum 3 weight .10000E+01 volume .71606E-03 ppm1 8.858 ppm2 8.468 CV 1
ASSI { 805}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 57 and name HN ))
2.900 1.100 1.100 peak 805 spectrum 3 weight .10000E+01 volume .16035E-02 ppm1 4.112 ppm2 8.466 CV 1
ASSI { 806}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 57 and name HN ))
2.600 .900 .900 peak 806 spectrum 3 weight .10000E+01 volume .30211E-02 ppm1 2.317 ppm2 8.469 CV 1
OR { 806}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 57 and name HN ))
ASSI { 807}
(( segid " " and resid 56 and name HG2 ))
(( segid " " and resid 57 and name HN ))
3.300 1.400 1.400 peak 807 spectrum 3 weight .10000E+01 volume .73364E-03 ppm1 2.554 ppm2 8.464 CV 1
ASSI { 809}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HN ))
2.700 .900 .900 peak 809 spectrum 3 weight .10000E+01 volume .26808E-02 ppm1 4.400 ppm2 8.466 CV 1
ASSI { 810}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 57 and name HN ))
2.500 .800 .800 peak 810 spectrum 3 weight .10000E+01 volume .36148E-02 ppm1 3.509 ppm2 8.464 CV 1
ASSI { 811}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 57 and name HN ))
2.600 .800 .800 peak 811 spectrum 3 weight .10000E+01 volume .31132E-02 ppm1 3.470 ppm2 8.464 CV 1
ASSI { 812}
( segid " " and resid 57 and name HD% )
(( segid " " and resid 57 and name HN ))
2.900 1.100 1.100 peak 812 spectrum 3 weight .10000E+01 volume .14909E-02 ppm1 7.314 ppm2 8.469 CV 1
ASSI { 814}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HN ))
2.900 1.100 1.100 peak 814 spectrum 3 weight .10000E+01 volume .15101E-02 ppm1 9.020 ppm2 8.467 CV 1
ASSI { 816}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 58 and name HN ))
3.600 1.600 1.600 peak 816 spectrum 3 weight .10000E+01 volume .47058E-03 ppm1 4.960 ppm2 9.022 CV 1
ASSI { 817}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 58 and name HN ))
3.000 1.100 1.100 peak 817 spectrum 3 weight .10000E+01 volume .13968E-02 ppm1 4.399 ppm2 9.022 CV 1
ASSI { 818}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 58 and name HN ))
3.200 1.300 1.300 peak 818 spectrum 3 weight .10000E+01 volume .92069E-03 ppm1 3.511 ppm2 9.026 CV 1
ASSI { 819}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 58 and name HN ))
2.900 1.100 1.100 peak 819 spectrum 3 weight .10000E+01 volume .14948E-02 ppm1 3.470 ppm2 9.026 CV 1
ASSI { 820}
( segid " " and resid 57 and name HD% )
(( segid " " and resid 58 and name HN ))
3.200 1.300 1.300 peak 820 spectrum 3 weight .10000E+01 volume .93507E-03 ppm1 7.314 ppm2 9.027 CV 1
ASSI { 822}
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 58 and name HN ))
3.000 1.100 1.100 peak 822 spectrum 3 weight .10000E+01 volume .13288E-02 ppm1 1.921 ppm2 9.025 CV 1
ASSI { 823}
(( segid " " and resid 58 and name HB3 ))
(( segid " " and resid 58 and name HN ))
3.100 1.200 1.200 peak 823 spectrum 3 weight .10000E+01 volume .10649E-02 ppm1 1.757 ppm2 9.025 CV 1
ASSI { 824}
(( segid " " and resid 58 and name HD3 ))
(( segid " " and resid 58 and name HN ))
3.100 1.200 1.200 peak 824 spectrum 3 weight .10000E+01 volume .11560E-02 ppm1 1.647 ppm2 9.026 CV 1
OR { 824}
(( segid " " and resid 58 and name HD2 ))
(( segid " " and resid 58 and name HN ))
ASSI { 825}
(( segid " " and resid 58 and name HE2 ))
(( segid " " and resid 58 and name HN ))
3.100 1.200 1.200 peak 825 spectrum 3 weight .10000E+01 volume .10765E-02 ppm1 3.604 ppm2 9.025 CV 1
OR { 825}
(( segid " " and resid 58 and name HE3 ))
(( segid " " and resid 58 and name HN ))
ASSI { 826}
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 58 and name HN ))
2.900 1.100 1.100 peak 826 spectrum 3 weight .10000E+01 volume .16138E-02 ppm1 1.297 ppm2 9.025 CV 1
OR { 826}
(( segid " " and resid 58 and name HG3 ))
(( segid " " and resid 58 and name HN ))
ASSI { 829}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 58 and name HN ))
3.500 1.500 1.500 peak 829 spectrum 3 weight .10000E+01 volume .56047E-03 ppm1 .980 ppm2 9.028 CV 1
ASSI { 830}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 59 and name HN ))
2.400 .700 .700 peak 830 spectrum 3 weight .10000E+01 volume .53854E-02 ppm1 4.363 ppm2 7.969 CV 1
ASSI { 831}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 59 and name HN ))
2.200 .600 .600 peak 831 spectrum 3 weight .10000E+01 volume .83068E-02 ppm1 4.112 ppm2 7.969 CV 1
ASSI { 832}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 59 and name HN ))
2.700 .900 .900 peak 832 spectrum 3 weight .10000E+01 volume .25403E-02 ppm1 4.399 ppm2 7.969 CV 1
ASSI { 833}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 59 and name HN ))
3.600 1.600 1.600 peak 833 spectrum 3 weight .10000E+01 volume .43553E-03 ppm1 8.465 ppm2 7.971 CV 1
ASSI { 834}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 59 and name HN ))
2.400 .700 .700 peak 834 spectrum 3 weight .10000E+01 volume .53854E-02 ppm1 4.363 ppm2 7.969 CV 1
ASSI { 835}
(( segid " " and resid 58 and name HB2 ))
(( segid " " and resid 59 and name HN ))
2.900 1.100 1.100 peak 835 spectrum 3 weight .10000E+01 volume .16311E-02 ppm1 1.920 ppm2 7.969 CV 1
ASSI { 836}
(( segid " " and resid 58 and name HB3 ))
(( segid " " and resid 59 and name HN ))
3.000 1.200 1.200 peak 836 spectrum 3 weight .10000E+01 volume .12359E-02 ppm1 1.760 ppm2 7.969 CV 1
ASSI { 837}
(( segid " " and resid 58 and name HD3 ))
(( segid " " and resid 59 and name HN ))
3.200 1.300 1.300 peak 837 spectrum 3 weight .10000E+01 volume .84266E-03 ppm1 1.646 ppm2 7.969 CV 1
OR { 837}
(( segid " " and resid 58 and name HD2 ))
(( segid " " and resid 59 and name HN ))
ASSI { 838}
(( segid " " and resid 58 and name HE2 ))
(( segid " " and resid 59 and name HN ))
3.300 1.400 1.400 peak 838 spectrum 3 weight .10000E+01 volume .73780E-03 ppm1 3.610 ppm2 7.968 CV 1
OR { 838}
(( segid " " and resid 58 and name HE3 ))
(( segid " " and resid 59 and name HN ))
ASSI { 839}
(( segid " " and resid 58 and name HG2 ))
(( segid " " and resid 59 and name HN ))
3.200 1.300 1.300 peak 839 spectrum 3 weight .10000E+01 volume .92724E-03 ppm1 1.299 ppm2 7.970 CV 1
OR { 839}
(( segid " " and resid 58 and name HG3 ))
(( segid " " and resid 59 and name HN ))
ASSI { 840}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HN ))
2.800 1.000 1.000 peak 840 spectrum 3 weight .10000E+01 volume .18286E-02 ppm1 9.028 ppm2 7.970 CV 1
ASSI { 841}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HN ))
2.500 .800 .800 peak 841 spectrum 3 weight .10000E+01 volume .41944E-02 ppm1 4.388 ppm2 7.969 CV 1
ASSI { 842}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HN ))
2.400 .700 .700 peak 842 spectrum 3 weight .10000E+01 volume .55277E-02 ppm1 4.097 ppm2 7.969 CV 1
OR { 842}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 59 and name HN ))
ASSI { 844}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HN ))
2.800 .900 .900 peak 844 spectrum 3 weight .10000E+01 volume .22265E-02 ppm1 7.801 ppm2 7.968 CV 1
ASSI { 845}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 59 and name HN ))
3.500 1.500 1.500 peak 845 spectrum 3 weight .10000E+01 volume .53508E-03 ppm1 7.441 ppm2 7.967 CV 1
ASSI { 846}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 60 and name HN ))
3.100 1.200 1.200 peak 846 spectrum 3 weight .10000E+01 volume .11249E-02 ppm1 4.110 ppm2 7.807 CV 1
ASSI { 847}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 60 and name HN ))
3.100 1.200 1.200 peak 847 spectrum 3 weight .10000E+01 volume .11489E-02 ppm1 4.399 ppm2 7.807 CV 1
ASSI { 848}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 60 and name HN ))
3.000 1.100 1.100 peak 848 spectrum 3 weight .10000E+01 volume .13119E-02 ppm1 4.363 ppm2 7.807 CV 1
ASSI { 849}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 60 and name HN ))
3.700 1.700 1.700 peak 849 spectrum 3 weight .10000E+01 volume .39193E-03 ppm1 9.028 ppm2 7.804 CV 1
ASSI { 850}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 60 and name HN ))
3.000 1.100 1.100 peak 850 spectrum 3 weight .10000E+01 volume .14147E-02 ppm1 4.387 ppm2 7.807 CV 1
ASSI { 852}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HN ))
3.000 1.100 1.100 peak 852 spectrum 3 weight .10000E+01 volume .13631E-02 ppm1 4.687 ppm2 7.802 CV 1
ASSI { 853}
(( segid " " and resid 60 and name HB ))
(( segid " " and resid 60 and name HN ))
2.900 1.100 1.100 peak 853 spectrum 3 weight .10000E+01 volume .15771E-02 ppm1 4.521 ppm2 7.802 CV 1
ASSI { 854}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 60 and name HN ))
2.600 .900 .900 peak 854 spectrum 3 weight .10000E+01 volume .28030E-02 ppm1 1.417 ppm2 7.806 CV 1
ASSI { 856}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HN ))
2.900 1.000 1.000 peak 856 spectrum 3 weight .10000E+01 volume .16586E-02 ppm1 7.447 ppm2 7.803 CV 1
ASSI { 858}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 61 and name HN ))
3.800 1.800 1.800 peak 858 spectrum 3 weight .10000E+01 volume .31802E-03 ppm1 4.688 ppm2 7.444 CV 1
ASSI { 859}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 61 and name HN ))
3.200 1.300 1.300 peak 859 spectrum 3 weight .10000E+01 volume .83308E-03 ppm1 1.415 ppm2 7.445 CV 1
ASSI { 861}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HN ))
3.000 1.100 1.100 peak 861 spectrum 3 weight .10000E+01 volume .13838E-02 ppm1 4.477 ppm2 7.444 CV 1
ASSI { 862}
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 61 and name HN ))
2.800 1.000 1.000 peak 862 spectrum 3 weight .10000E+01 volume .20049E-02 ppm1 1.668 ppm2 7.445 CV 1
OR { 862}
(( segid " " and resid 61 and name HB3 ))
(( segid " " and resid 61 and name HN ))
ASSI { 863}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 61 and name HN ))
3.100 1.200 1.200 peak 863 spectrum 3 weight .10000E+01 volume .10670E-02 ppm1 .981 ppm2 7.445 CV 1
ASSI { 864}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 61 and name HN ))
3.400 1.400 1.400 peak 864 spectrum 3 weight .10000E+01 volume .62887E-03 ppm1 .847 ppm2 7.444 CV 1
ASSI { 865}
(( segid " " and resid 61 and name HG ))
(( segid " " and resid 61 and name HN ))
2.900 1.100 1.100 peak 865 spectrum 3 weight .10000E+01 volume .15874E-02 ppm1 2.175 ppm2 7.445 CV 1
ASSI { 867}
(( segid " " and resid 62 and name HD2 ))
(( segid " " and resid 61 and name HN ))
3.000 1.100 1.100 peak 867 spectrum 3 weight .10000E+01 volume .13838E-02 ppm1 3.650 ppm2 7.445 CV 1
ASSI { 868}
(( segid " " and resid 62 and name HD3 ))
(( segid " " and resid 61 and name HN ))
3.100 1.200 1.200 peak 868 spectrum 3 weight .10000E+01 volume .11448E-02 ppm1 3.812 ppm2 7.445 CV 1
ASSI { 869}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 63 and name HN ))
2.600 .800 .800 peak 869 spectrum 3 weight .10000E+01 volume .32382E-02 ppm1 4.387 ppm2 7.805 CV 1
ASSI { 870}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 63 and name HN ))
3.200 1.300 1.300 peak 870 spectrum 3 weight .10000E+01 volume .85931E-03 ppm1 4.689 ppm2 7.806 CV 1
ASSI { 871}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 63 and name HN ))
3.200 1.300 1.300 peak 871 spectrum 3 weight .10000E+01 volume .88408E-03 ppm1 1.415 ppm2 7.804 CV 1
ASSI { 872}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 63 and name HN ))
3.000 1.200 1.200 peak 872 spectrum 3 weight .10000E+01 volume .12201E-02 ppm1 4.477 ppm2 7.805 CV 1
ASSI { 873}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 63 and name HN ))
4.000 2.000 2.000 peak 873 spectrum 3 weight .10000E+01 volume .22841E-03 ppm1 7.446 ppm2 7.806 CV 1
ASSI { 874}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 63 and name HN ))
2.900 1.100 1.100 peak 874 spectrum 3 weight .10000E+01 volume .15811E-02 ppm1 4.505 ppm2 7.805 CV 1
ASSI { 875}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 63 and name HN ))
3.200 1.300 1.300 peak 875 spectrum 3 weight .10000E+01 volume .89733E-03 ppm1 2.439 ppm2 7.807 CV 1
ASSI { 876}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 63 and name HN ))
3.200 1.300 1.300 peak 876 spectrum 3 weight .10000E+01 volume .88545E-03 ppm1 2.196 ppm2 7.807 CV 1
ASSI { 877}
(( segid " " and resid 62 and name HD2 ))
(( segid " " and resid 63 and name HN ))
3.100 1.200 1.200 peak 877 spectrum 3 weight .10000E+01 volume .11861E-02 ppm1 3.653 ppm2 7.806 CV 1
ASSI { 878}
(( segid " " and resid 62 and name HD3 ))
(( segid " " and resid 63 and name HN ))
3.100 1.200 1.200 peak 878 spectrum 3 weight .10000E+01 volume .11591E-02 ppm1 3.812 ppm2 7.806 CV 1
ASSI { 879}
(( segid " " and resid 62 and name HG2 ))
(( segid " " and resid 63 and name HN ))
2.800 1.000 1.000 peak 879 spectrum 3 weight .10000E+01 volume .21411E-02 ppm1 1.967 ppm2 7.804 CV 1
OR { 879}
(( segid " " and resid 62 and name HG3 ))
(( segid " " and resid 63 and name HN ))
ASSI { 880}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HN ))
2.400 .700 .700 peak 880 spectrum 3 weight .10000E+01 volume .47742E-02 ppm1 4.420 ppm2 7.805 CV 1
ASSI { 881}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 63 and name HN ))
2.800 1.000 1.000 peak 881 spectrum 3 weight .10000E+01 volume .20545E-02 ppm1 2.751 ppm2 7.807 CV 1
ASSI { 882}
(( segid " " and resid 63 and name HB3 ))
(( segid " " and resid 63 and name HN ))
2.500 .800 .800 peak 882 spectrum 3 weight .10000E+01 volume .41658E-02 ppm1 2.589 ppm2 7.807 CV 1
ASSI { 885}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 63 and name HN ))
3.400 1.400 1.400 peak 885 spectrum 3 weight .10000E+01 volume .62484E-03 ppm1 8.673 ppm2 7.807 CV 1
ASSI { 886}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 64 and name HN ))
2.800 1.000 1.000 peak 886 spectrum 3 weight .10000E+01 volume .19265E-02 ppm1 4.479 ppm2 7.922 CV 1
ASSI { 887}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 64 and name HN ))
2.900 1.000 1.000 peak 887 spectrum 3 weight .10000E+01 volume .17239E-02 ppm1 4.507 ppm2 7.922 CV 1
ASSI { 888}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 64 and name HN ))
2.900 1.000 1.000 peak 888 spectrum 3 weight .10000E+01 volume .17144E-02 ppm1 4.420 ppm2 7.922 CV 1
ASSI { 889}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 64 and name HN ))
2.800 1.000 1.000 peak 889 spectrum 3 weight .10000E+01 volume .21133E-02 ppm1 2.750 ppm2 7.921 CV 1
ASSI { 890}
(( segid " " and resid 63 and name HB3 ))
(( segid " " and resid 64 and name HN ))
3.000 1.100 1.100 peak 890 spectrum 3 weight .10000E+01 volume .14477E-02 ppm1 2.589 ppm2 7.921 CV 1
ASSI { 891}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 64 and name HN ))
2.800 1.000 1.000 peak 891 spectrum 3 weight .10000E+01 volume .19165E-02 ppm1 7.802 ppm2 7.923 CV 1
ASSI { 892}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HN ))
2.800 1.000 1.000 peak 892 spectrum 3 weight .10000E+01 volume .21668E-02 ppm1 4.066 ppm2 7.923 CV 1
ASSI { 893}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 64 and name HN ))
2.400 .700 .700 peak 893 spectrum 3 weight .10000E+01 volume .56820E-02 ppm1 1.391 ppm2 7.922 CV 1
ASSI { 895}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HN ))
2.900 1.000 1.000 peak 895 spectrum 3 weight .10000E+01 volume .17808E-02 ppm1 8.674 ppm2 7.922 CV 1
ASSI { 896}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 64 and name HN ))
3.200 1.300 1.300 peak 896 spectrum 3 weight .10000E+01 volume .93814E-03 ppm1 7.507 ppm2 7.922 CV 1
ASSI { 897}
(( segid " " and resid 107 and name HH2 ))
(( segid " " and resid 64 and name HN ))
3.400 1.400 1.400 peak 897 spectrum 3 weight .10000E+01 volume .63036E-03 ppm1 7.429 ppm2 7.922 CV 1
ASSI { 898}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 65 and name HN ))
3.000 1.100 1.100 peak 898 spectrum 3 weight .10000E+01 volume .13143E-02 ppm1 4.479 ppm2 8.670 CV 1
ASSI { 899}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 65 and name HN ))
3.300 1.300 1.300 peak 899 spectrum 3 weight .10000E+01 volume .77404E-03 ppm1 4.508 ppm2 8.670 CV 1
ASSI { 900}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 65 and name HN ))
3.600 1.600 1.600 peak 900 spectrum 3 weight .10000E+01 volume .45267E-03 ppm1 4.417 ppm2 8.670 CV 1
ASSI { 901}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 65 and name HN ))
3.300 1.400 1.400 peak 901 spectrum 3 weight .10000E+01 volume .69474E-03 ppm1 4.065 ppm2 8.671 CV 1
ASSI { 902}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 65 and name HN ))
2.900 1.000 1.000 peak 902 spectrum 3 weight .10000E+01 volume .16822E-02 ppm1 1.391 ppm2 8.670 CV 1
ASSI { 904}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HN ))
3.100 1.200 1.200 peak 904 spectrum 3 weight .10000E+01 volume .12000E-02 ppm1 3.638 ppm2 8.671 CV 1
ASSI { 905}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HN ))
2.800 1.000 1.000 peak 905 spectrum 3 weight .10000E+01 volume .21933E-02 ppm1 2.997 ppm2 8.671 CV 1
ASSI { 906}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HN ))
2.800 1.000 1.000 peak 906 spectrum 3 weight .10000E+01 volume .19139E-02 ppm1 2.799 ppm2 8.671 CV 1
ASSI { 908}
(( segid " " and resid 107 and name HH2 ))
(( segid " " and resid 65 and name HN ))
2.900 1.000 1.000 peak 908 spectrum 3 weight .10000E+01 volume .17161E-02 ppm1 7.429 ppm2 8.668 CV 1
ASSI { 909}
(( segid " " and resid 107 and name HZ2 ))
(( segid " " and resid 65 and name HN ))
2.800 1.000 1.000 peak 909 spectrum 3 weight .10000E+01 volume .20664E-02 ppm1 7.469 ppm2 8.668 CV 1
ASSI { 910}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 66 and name HN ))
3.500 1.500 1.500 peak 910 spectrum 3 weight .10000E+01 volume .55289E-03 ppm1 4.504 ppm2 7.514 CV 1
ASSI { 911}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 66 and name HN ))
2.900 1.000 1.000 peak 911 spectrum 3 weight .10000E+01 volume .16426E-02 ppm1 4.417 ppm2 7.511 CV 1
ASSI { 912}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 66 and name HN ))
3.300 1.300 1.300 peak 912 spectrum 3 weight .10000E+01 volume .81013E-03 ppm1 4.065 ppm2 7.508 CV 1
ASSI { 914}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 66 and name HN ))
3.200 1.300 1.300 peak 914 spectrum 3 weight .10000E+01 volume .84492E-03 ppm1 3.638 ppm2 7.514 CV 1
ASSI { 915}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 66 and name HN ))
3.100 1.200 1.200 peak 915 spectrum 3 weight .10000E+01 volume .11381E-02 ppm1 2.998 ppm2 7.510 CV 1
ASSI { 916}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 66 and name HN ))
2.900 1.100 1.100 peak 916 spectrum 3 weight .10000E+01 volume .15757E-02 ppm1 2.797 ppm2 7.510 CV 1
ASSI { 917}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 66 and name HN ))
2.700 .900 .900 peak 917 spectrum 3 weight .10000E+01 volume .22894E-02 ppm1 8.674 ppm2 7.510 CV 1
ASSI { 918}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HN ))
2.500 .800 .800 peak 918 spectrum 3 weight .10000E+01 volume .41495E-02 ppm1 3.927 ppm2 7.511 CV 1
ASSI { 919}
(( segid " " and resid 66 and name HB2 ))
(( segid " " and resid 66 and name HN ))
2.500 .800 .800 peak 919 spectrum 3 weight .10000E+01 volume .44771E-02 ppm1 1.965 ppm2 7.514 CV 1
ASSI { 920}
(( segid " " and resid 66 and name HB3 ))
(( segid " " and resid 66 and name HN ))
2.400 .700 .700 peak 920 spectrum 3 weight .10000E+01 volume .52444E-02 ppm1 1.852 ppm2 7.514 CV 1
ASSI { 921}
(( segid " " and resid 66 and name HD2 ))
(( segid " " and resid 66 and name HN ))
3.300 1.400 1.400 peak 921 spectrum 3 weight .10000E+01 volume .74292E-03 ppm1 3.234 ppm2 7.508 CV 1
OR { 921}
(( segid " " and resid 66 and name HD3 ))
(( segid " " and resid 66 and name HN ))
ASSI { 922}
(( segid " " and resid 66 and name HG3 ))
(( segid " " and resid 66 and name HN ))
3.000 1.200 1.200 peak 922 spectrum 3 weight .10000E+01 volume .12434E-02 ppm1 1.638 ppm2 7.511 CV 1
OR { 922}
(( segid " " and resid 66 and name HG2 ))
(( segid " " and resid 66 and name HN ))
ASSI { 923}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 66 and name HN ))
3.400 1.500 1.500 peak 923 spectrum 3 weight .10000E+01 volume .61104E-03 ppm1 8.015 ppm2 7.511 CV 1
ASSI { 924}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 67 and name HN ))
3.400 1.500 1.500 peak 924 spectrum 3 weight .10000E+01 volume .58279E-03 ppm1 4.417 ppm2 7.502 CV 1
ASSI { 925}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 67 and name HN ))
3.100 1.200 1.200 peak 925 spectrum 3 weight .10000E+01 volume .11546E-02 ppm1 4.067 ppm2 7.501 CV 1
ASSI { 926}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 67 and name HN ))
3.600 1.600 1.600 peak 926 spectrum 3 weight .10000E+01 volume .46780E-03 ppm1 3.633 ppm2 7.495 CV 1
ASSI { 927}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 67 and name HN ))
3.700 1.700 1.700 peak 927 spectrum 3 weight .10000E+01 volume .39128E-03 ppm1 8.673 ppm2 7.502 CV 1
ASSI { 928}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 67 and name HN ))
3.200 1.300 1.300 peak 928 spectrum 3 weight .10000E+01 volume .88167E-03 ppm1 3.930 ppm2 7.497 CV 1
ASSI { 929}
(( segid " " and resid 66 and name HB2 ))
(( segid " " and resid 67 and name HN ))
2.900 1.000 1.000 peak 929 spectrum 3 weight .10000E+01 volume .17746E-02 ppm1 1.967 ppm2 7.497 CV 1
ASSI { 930}
(( segid " " and resid 66 and name HB3 ))
(( segid " " and resid 67 and name HN ))
2.600 .900 .900 peak 930 spectrum 3 weight .10000E+01 volume .30209E-02 ppm1 1.852 ppm2 7.497 CV 1
ASSI { 931}
(( segid " " and resid 66 and name HG2 ))
(( segid " " and resid 67 and name HN ))
3.200 1.300 1.300 peak 931 spectrum 3 weight .10000E+01 volume .82520E-03 ppm1 1.637 ppm2 7.496 CV 1
OR { 931}
(( segid " " and resid 66 and name HG3 ))
(( segid " " and resid 67 and name HN ))
ASSI { 932}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HN ))
2.700 .900 .900 peak 932 spectrum 3 weight .10000E+01 volume .23919E-02 ppm1 4.250 ppm2 7.499 CV 1
ASSI { 933}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 67 and name HN ))
2.600 .800 .800 peak 933 spectrum 3 weight .10000E+01 volume .31036E-02 ppm1 1.806 ppm2 7.497 CV 1
ASSI { 934}
(( segid " " and resid 67 and name HB3 ))
(( segid " " and resid 67 and name HN ))
2.900 1.000 1.000 peak 934 spectrum 3 weight .10000E+01 volume .17511E-02 ppm1 1.722 ppm2 7.496 CV 1
ASSI { 935}
(( segid " " and resid 67 and name HG3 ))
(( segid " " and resid 67 and name HN ))
3.200 1.300 1.300 peak 935 spectrum 3 weight .10000E+01 volume .92977E-03 ppm1 2.289 ppm2 7.497 CV 1
OR { 935}
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 67 and name HN ))
ASSI { 936}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HN ))
2.900 1.000 1.000 peak 936 spectrum 3 weight .10000E+01 volume .16427E-02 ppm1 8.021 ppm2 7.496 CV 1
ASSI { 937}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 67 and name HN ))
3.000 1.100 1.100 peak 937 spectrum 3 weight .10000E+01 volume .13226E-02 ppm1 8.042 ppm2 7.496 CV 1
ASSI { 938}
( segid " " and resid 70 and name HB% )
(( segid " " and resid 67 and name HN ))
3.100 1.200 1.200 peak 938 spectrum 3 weight .10000E+01 volume .11664E-02 ppm1 1.416 ppm2 7.496 CV 1
ASSI { 939}
( segid " " and resid 24 and name HE% )
(( segid " " and resid 68 and name HN ))
3.100 1.200 1.200 peak 939 spectrum 3 weight .10000E+01 volume .10774E-02 ppm1 7.214 ppm2 8.020 CV 1
ASSI { 940}
(( segid " " and resid 24 and name HZ ))
(( segid " " and resid 68 and name HN ))
3.000 1.100 1.100 peak 940 spectrum 3 weight .10000E+01 volume .12735E-02 ppm1 7.171 ppm2 8.020 CV 1
ASSI { 941}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 68 and name HN ))
3.200 1.300 1.300 peak 941 spectrum 3 weight .10000E+01 volume .85652E-03 ppm1 4.066 ppm2 8.019 CV 1
ASSI { 942}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 68 and name HN ))
3.000 1.100 1.100 peak 942 spectrum 3 weight .10000E+01 volume .12518E-02 ppm1 3.639 ppm2 8.017 CV 1
ASSI { 943}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 68 and name HN ))
3.700 1.700 1.700 peak 943 spectrum 3 weight .10000E+01 volume .37584E-03 ppm1 3.931 ppm2 8.020 CV 1
ASSI { 944}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 68 and name HN ))
3.200 1.300 1.300 peak 944 spectrum 3 weight .10000E+01 volume .89478E-03 ppm1 4.250 ppm2 8.019 CV 1
ASSI { 945}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 68 and name HN ))
2.900 1.000 1.000 peak 945 spectrum 3 weight .10000E+01 volume .17618E-02 ppm1 1.808 ppm2 8.020 CV 1
ASSI { 946}
(( segid " " and resid 67 and name HB3 ))
(( segid " " and resid 68 and name HN ))
3.000 1.100 1.100 peak 946 spectrum 3 weight .10000E+01 volume .13817E-02 ppm1 1.722 ppm2 8.020 CV 1
ASSI { 947}
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 68 and name HN ))
3.500 1.500 1.500 peak 947 spectrum 3 weight .10000E+01 volume .53999E-03 ppm1 2.290 ppm2 8.016 CV 1
OR { 947}
(( segid " " and resid 67 and name HG3 ))
(( segid " " and resid 68 and name HN ))
ASSI { 948}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HN ))
3.300 1.400 1.400 peak 948 spectrum 3 weight .10000E+01 volume .70917E-03 ppm1 4.087 ppm2 8.019 CV 1
ASSI { 949}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HN ))
2.800 1.000 1.000 peak 949 spectrum 3 weight .10000E+01 volume .21743E-02 ppm1 1.874 ppm2 8.020 CV 1
ASSI { 950}
(( segid " " and resid 68 and name HB3 ))
(( segid " " and resid 68 and name HN ))
3.000 1.100 1.100 peak 950 spectrum 3 weight .10000E+01 volume .13664E-02 ppm1 1.169 ppm2 8.021 CV 1
ASSI { 951}
(( segid " " and resid 68 and name HD3 ))
(( segid " " and resid 68 and name HN ))
2.900 1.100 1.100 peak 951 spectrum 3 weight .10000E+01 volume .15343E-02 ppm1 2.810 ppm2 8.020 CV 1
OR { 951}
(( segid " " and resid 68 and name HD2 ))
(( segid " " and resid 68 and name HN ))
ASSI { 952}
(( segid " " and resid 68 and name HE ))
(( segid " " and resid 68 and name HN ))
3.500 1.500 1.500 peak 952 spectrum 3 weight .10000E+01 volume .51170E-03 ppm1 5.845 ppm2 8.020 CV 1
ASSI { 953}
(( segid " " and resid 68 and name HG2 ))
(( segid " " and resid 68 and name HN ))
3.200 1.300 1.300 peak 953 spectrum 3 weight .10000E+01 volume .82393E-03 ppm1 1.418 ppm2 8.018 CV 1
ASSI { 954}
(( segid " " and resid 68 and name HG3 ))
(( segid " " and resid 68 and name HN ))
3.200 1.300 1.300 peak 954 spectrum 3 weight .10000E+01 volume .87109E-03 ppm1 .982 ppm2 8.020 CV 1
ASSI { 955}
( segid " " and resid 24 and name HE% )
(( segid " " and resid 69 and name HN ))
3.500 1.600 1.600 peak 955 spectrum 3 weight .10000E+01 volume .48849E-03 ppm1 7.215 ppm2 8.046 CV 1
ASSI { 956}
(( segid " " and resid 24 and name HZ ))
(( segid " " and resid 69 and name HN ))
3.500 1.500 1.500 peak 956 spectrum 3 weight .10000E+01 volume .51679E-03 ppm1 7.172 ppm2 8.046 CV 1
ASSI { 957}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 69 and name HN ))
3.300 1.400 1.400 peak 957 spectrum 3 weight .10000E+01 volume .71917E-03 ppm1 3.640 ppm2 8.044 CV 1
ASSI { 958}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 69 and name HN ))
3.100 1.200 1.200 peak 958 spectrum 3 weight .10000E+01 volume .11227E-02 ppm1 3.931 ppm2 8.044 CV 1
ASSI { 959}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 69 and name HN ))
3.700 1.800 1.800 peak 959 spectrum 3 weight .10000E+01 volume .34927E-03 ppm1 4.249 ppm2 8.044 CV 1
ASSI { 961}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 69 and name HN ))
3.300 1.400 1.400 peak 961 spectrum 3 weight .10000E+01 volume .71875E-03 ppm1 4.088 ppm2 8.044 CV 1
ASSI { 962}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 69 and name HN ))
2.900 1.100 1.100 peak 962 spectrum 3 weight .10000E+01 volume .16057E-02 ppm1 1.875 ppm2 8.042 CV 1
ASSI { 963}
(( segid " " and resid 68 and name HB3 ))
(( segid " " and resid 69 and name HN ))
3.100 1.200 1.200 peak 963 spectrum 3 weight .10000E+01 volume .11536E-02 ppm1 1.161 ppm2 8.042 CV 1
ASSI { 964}
(( segid " " and resid 68 and name HD3 ))
(( segid " " and resid 69 and name HN ))
3.200 1.300 1.300 peak 964 spectrum 3 weight .10000E+01 volume .83650E-03 ppm1 2.810 ppm2 8.046 CV 1
OR { 964}
(( segid " " and resid 68 and name HD2 ))
(( segid " " and resid 69 and name HN ))
ASSI { 965}
(( segid " " and resid 68 and name HG2 ))
(( segid " " and resid 69 and name HN ))
3.300 1.400 1.400 peak 965 spectrum 3 weight .10000E+01 volume .74476E-03 ppm1 1.412 ppm2 8.044 CV 1
ASSI { 966}
(( segid " " and resid 68 and name HG3 ))
(( segid " " and resid 69 and name HN ))
3.200 1.200 1.200 peak 966 spectrum 3 weight .10000E+01 volume .97168E-03 ppm1 .985 ppm2 8.042 CV 1
ASSI { 967}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 69 and name HN ))
2.400 .700 .700 peak 967 spectrum 3 weight .10000E+01 volume .53749E-02 ppm1 8.017 ppm2 8.047 CV 1
ASSI { 968}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HN ))
2.800 .900 .900 peak 968 spectrum 3 weight .10000E+01 volume .22179E-02 ppm1 3.811 ppm2 8.045 CV 1
ASSI { 969}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HN ))
2.600 .900 .900 peak 969 spectrum 3 weight .10000E+01 volume .29109E-02 ppm1 2.013 ppm2 8.043 CV 1
ASSI { 970}
(( segid " " and resid 69 and name HB3 ))
(( segid " " and resid 69 and name HN ))
2.400 .700 .700 peak 970 spectrum 3 weight .10000E+01 volume .53201E-02 ppm1 1.944 ppm2 8.043 CV 1
ASSI { 971}
(( segid " " and resid 69 and name HG3 ))
(( segid " " and resid 69 and name HN ))
2.900 1.000 1.000 peak 971 spectrum 3 weight .10000E+01 volume .16399E-02 ppm1 2.320 ppm2 8.044 CV 1
OR { 971}
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 69 and name HN ))
ASSI { 974}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 69 and name HN ))
3.600 1.600 1.600 peak 974 spectrum 3 weight .10000E+01 volume .48333E-03 ppm1 8.305 ppm2 8.048 CV 1
ASSI { 975}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 70 and name HN ))
3.300 1.300 1.300 peak 975 spectrum 3 weight .10000E+01 volume .78401E-03 ppm1 3.931 ppm2 7.969 CV 1
ASSI { 976}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 70 and name HN ))
3.100 1.200 1.200 peak 976 spectrum 3 weight .10000E+01 volume .11986E-02 ppm1 4.253 ppm2 7.968 CV 1
ASSI { 977}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 70 and name HN ))
2.400 .700 .700 peak 977 spectrum 3 weight .10000E+01 volume .53351E-02 ppm1 4.088 ppm2 7.968 CV 1
ASSI { 978}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 70 and name HN ))
2.600 .900 .900 peak 978 spectrum 3 weight .10000E+01 volume .29713E-02 ppm1 8.017 ppm2 7.968 CV 1
ASSI { 979}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 70 and name HN ))
3.200 1.300 1.300 peak 979 spectrum 3 weight .10000E+01 volume .86489E-03 ppm1 3.810 ppm2 7.968 CV 1
ASSI { 980}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 70 and name HN ))
2.900 1.000 1.000 peak 980 spectrum 3 weight .10000E+01 volume .17059E-02 ppm1 2.013 ppm2 7.969 CV 1
ASSI { 981}
(( segid " " and resid 69 and name HB3 ))
(( segid " " and resid 70 and name HN ))
2.700 .900 .900 peak 981 spectrum 3 weight .10000E+01 volume .26439E-02 ppm1 1.943 ppm2 7.969 CV 1
ASSI { 982}
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 70 and name HN ))
3.500 1.600 1.600 peak 982 spectrum 3 weight .10000E+01 volume .48600E-03 ppm1 2.322 ppm2 7.969 CV 1
OR { 982}
(( segid " " and resid 69 and name HG3 ))
(( segid " " and resid 70 and name HN ))
ASSI { 983}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 70 and name HN ))
2.500 .800 .800 peak 983 spectrum 3 weight .10000E+01 volume .40705E-02 ppm1 8.044 ppm2 7.969 CV 1
ASSI { 984}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HN ))
2.500 .800 .800 peak 984 spectrum 3 weight .10000E+01 volume .35717E-02 ppm1 4.100 ppm2 7.969 CV 1
ASSI { 985}
( segid " " and resid 70 and name HB% )
(( segid " " and resid 70 and name HN ))
2.200 .600 .600 peak 985 spectrum 3 weight .10000E+01 volume .89793E-02 ppm1 1.422 ppm2 7.969 CV 1
ASSI { 987}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HN ))
2.700 .900 .900 peak 987 spectrum 3 weight .10000E+01 volume .25301E-02 ppm1 8.304 ppm2 7.968 CV 1
ASSI { 988}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 70 and name HN ))
3.200 1.300 1.300 peak 988 spectrum 3 weight .10000E+01 volume .85130E-03 ppm1 8.145 ppm2 7.968 CV 1
ASSI { 989}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 71 and name HN ))
3.700 1.700 1.700 peak 989 spectrum 3 weight .10000E+01 volume .37919E-03 ppm1 4.248 ppm2 8.300 CV 1
ASSI { 990}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 71 and name HN ))
3.200 1.300 1.300 peak 990 spectrum 3 weight .10000E+01 volume .87859E-03 ppm1 4.086 ppm2 8.302 CV 1
ASSI { 991}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 71 and name HN ))
3.800 1.800 1.800 peak 991 spectrum 3 weight .10000E+01 volume .33168E-03 ppm1 3.813 ppm2 8.299 CV 1
ASSI { 993}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 71 and name HN ))
3.000 1.100 1.100 peak 993 spectrum 3 weight .10000E+01 volume .12492E-02 ppm1 4.102 ppm2 8.302 CV 1
ASSI { 994}
( segid " " and resid 70 and name HB% )
(( segid " " and resid 71 and name HN ))
2.800 1.000 1.000 peak 994 spectrum 3 weight .10000E+01 volume .20499E-02 ppm1 1.420 ppm2 8.299 CV 1
ASSI { 996}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HN ))
3.000 1.100 1.100 peak 996 spectrum 3 weight .10000E+01 volume .12777E-02 ppm1 3.478 ppm2 8.300 CV 1
ASSI { 997}
(( segid " " and resid 71 and name HB ))
(( segid " " and resid 71 and name HN ))
2.600 .800 .800 peak 997 spectrum 3 weight .10000E+01 volume .34940E-02 ppm1 1.737 ppm2 8.301 CV 1
ASSI { 998}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 71 and name HN ))
2.700 .900 .900 peak 998 spectrum 3 weight .10000E+01 volume .27583E-02 ppm1 .433 ppm2 8.299 CV 1
ASSI { 999}
( segid " " and resid 71 and name HG2%)
(( segid " " and resid 71 and name HN ))
3.100 1.200 1.200 peak 999 spectrum 3 weight .10000E+01 volume .99870E-03 ppm1 .583 ppm2 8.299 CV 1
ASSI { 1003}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 72 and name HN ))
3.400 1.400 1.400 peak 1003 spectrum 3 weight .10000E+01 volume .65007E-03 ppm1 4.088 ppm2 8.147 CV 1
ASSI { 1004}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 72 and name HN ))
3.200 1.300 1.300 peak 1004 spectrum 3 weight .10000E+01 volume .87424E-03 ppm1 3.812 ppm2 8.146 CV 1
ASSI { 1005}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 72 and name HN ))
3.100 1.200 1.200 peak 1005 spectrum 3 weight .10000E+01 volume .10812E-02 ppm1 4.105 ppm2 8.147 CV 1
ASSI { 1006}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 72 and name HN ))
3.600 1.600 1.600 peak 1006 spectrum 3 weight .10000E+01 volume .42361E-03 ppm1 3.478 ppm2 8.146 CV 1
ASSI { 1007}
(( segid " " and resid 71 and name HB ))
(( segid " " and resid 72 and name HN ))
2.800 1.000 1.000 peak 1007 spectrum 3 weight .10000E+01 volume .19634E-02 ppm1 1.737 ppm2 8.147 CV 1
ASSI { 1008}
( segid " " and resid 71 and name HD1%)
(( segid " " and resid 72 and name HN ))
3.500 1.500 1.500 peak 1008 spectrum 3 weight .10000E+01 volume .53838E-03 ppm1 .433 ppm2 8.148 CV 1
ASSI { 1009}
( segid " " and resid 71 and name HG2%)
(( segid " " and resid 72 and name HN ))
3.200 1.300 1.300 peak 1009 spectrum 3 weight .10000E+01 volume .96830E-03 ppm1 .583 ppm2 8.148 CV 1
ASSI { 1010}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 72 and name HN ))
2.800 .900 .900 peak 1010 spectrum 3 weight .10000E+01 volume .22350E-02 ppm1 8.300 ppm2 8.147 CV 1
ASSI { 1011}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HN ))
2.900 1.100 1.100 peak 1011 spectrum 3 weight .10000E+01 volume .14738E-02 ppm1 4.143 ppm2 8.147 CV 1
ASSI { 1012}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 72 and name HN ))
2.600 .900 .900 peak 1012 spectrum 3 weight .10000E+01 volume .29750E-02 ppm1 2.008 ppm2 8.146 CV 1
ASSI { 1013}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 72 and name HN ))
2.900 1.100 1.100 peak 1013 spectrum 3 weight .10000E+01 volume .15066E-02 ppm1 1.922 ppm2 8.146 CV 1
ASSI { 1014}
( segid " " and resid 72 and name HD2%)
(( segid " " and resid 72 and name HN ))
2.500 .800 .800 peak 1014 spectrum 3 weight .10000E+01 volume .35630E-02 ppm1 .966 ppm2 8.145 CV 1
OR { 1014}
( segid " " and resid 72 and name HD1%)
(( segid " " and resid 72 and name HN ))
ASSI { 1015}
(( segid " " and resid 72 and name HG ))
(( segid " " and resid 72 and name HN ))
2.700 .900 .900 peak 1015 spectrum 3 weight .10000E+01 volume .22683E-02 ppm1 1.587 ppm2 8.147 CV 1
ASSI { 1017}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HN ))
2.800 1.000 1.000 peak 1017 spectrum 3 weight .10000E+01 volume .21955E-02 ppm1 8.329 ppm2 8.147 CV 1
ASSI { 1018}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 73 and name HN ))
3.200 1.300 1.300 peak 1018 spectrum 3 weight .10000E+01 volume .87350E-03 ppm1 3.811 ppm2 8.331 CV 1
ASSI { 1019}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 73 and name HN ))
2.800 1.000 1.000 peak 1019 spectrum 3 weight .10000E+01 volume .21116E-02 ppm1 4.101 ppm2 8.331 CV 1
ASSI { 1020}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 73 and name HN ))
2.000 .500 .500 peak 1020 spectrum 3 weight .10000E+01 volume .16886E-01 ppm1 8.304 ppm2 8.328 CV 1
ASSI { 1021}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 73 and name HN ))
2.900 1.100 1.100 peak 1021 spectrum 3 weight .10000E+01 volume .15514E-02 ppm1 4.143 ppm2 8.331 CV 1
ASSI { 1022}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 73 and name HN ))
2.800 1.000 1.000 peak 1022 spectrum 3 weight .10000E+01 volume .21111E-02 ppm1 2.009 ppm2 8.331 CV 1
ASSI { 1023}
(( segid " " and resid 72 and name HB3 ))
(( segid " " and resid 73 and name HN ))
2.900 1.000 1.000 peak 1023 spectrum 3 weight .10000E+01 volume .16747E-02 ppm1 1.921 ppm2 8.331 CV 1
ASSI { 1024}
( segid " " and resid 72 and name HD2%)
(( segid " " and resid 73 and name HN ))
2.900 1.000 1.000 peak 1024 spectrum 3 weight .10000E+01 volume .16884E-02 ppm1 .967 ppm2 8.330 CV 1
OR { 1024}
( segid " " and resid 72 and name HD1%)
(( segid " " and resid 73 and name HN ))
ASSI { 1026}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HN ))
2.400 .700 .700 peak 1026 spectrum 3 weight .10000E+01 volume .45168E-02 ppm1 4.215 ppm2 8.332 CV 1
ASSI { 1027}
( segid " " and resid 73 and name HB% )
(( segid " " and resid 73 and name HN ))
2.100 .600 .600 peak 1027 spectrum 3 weight .10000E+01 volume .11339E-01 ppm1 1.597 ppm2 8.332 CV 1
ASSI { 1029}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HN ))
2.700 .900 .900 peak 1029 spectrum 3 weight .10000E+01 volume .22595E-02 ppm1 7.808 ppm2 8.331 CV 1
ASSI { 1030}
( segid " " and resid 17 and name HD% )
(( segid " " and resid 74 and name HN ))
3.500 1.600 1.600 peak 1030 spectrum 3 weight .10000E+01 volume .48686E-03 ppm1 7.175 ppm2 7.803 CV 1
ASSI { 1031}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 74 and name HN ))
3.600 1.600 1.600 peak 1031 spectrum 3 weight .10000E+01 volume .44811E-03 ppm1 4.100 ppm2 7.808 CV 1
ASSI { 1032}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 74 and name HN ))
3.800 1.800 1.800 peak 1032 spectrum 3 weight .10000E+01 volume .34127E-03 ppm1 3.470 ppm2 7.808 CV 1
ASSI { 1033}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 74 and name HN ))
3.600 1.600 1.600 peak 1033 spectrum 3 weight .10000E+01 volume .46584E-03 ppm1 4.142 ppm2 7.808 CV 1
ASSI { 1034}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 74 and name HN ))
3.600 1.600 1.600 peak 1034 spectrum 3 weight .10000E+01 volume .45327E-03 ppm1 8.148 ppm2 7.808 CV 1
ASSI { 1035}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 74 and name HN ))
3.200 1.300 1.300 peak 1035 spectrum 3 weight .10000E+01 volume .96107E-03 ppm1 4.216 ppm2 7.808 CV 1
ASSI { 1036}
( segid " " and resid 73 and name HB% )
(( segid " " and resid 74 and name HN ))
3.000 1.100 1.100 peak 1036 spectrum 3 weight .10000E+01 volume .14291E-02 ppm1 1.597 ppm2 7.808 CV 1
ASSI { 1038}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HN ))
3.000 1.100 1.100 peak 1038 spectrum 3 weight .10000E+01 volume .14211E-02 ppm1 3.890 ppm2 7.808 CV 1
ASSI { 1039}
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 74 and name HN ))
3.000 1.200 1.200 peak 1039 spectrum 3 weight .10000E+01 volume .12397E-02 ppm1 2.266 ppm2 7.808 CV 1
ASSI { 1040}
( segid " " and resid 74 and name HD1%)
(( segid " " and resid 74 and name HN ))
3.100 1.200 1.200 peak 1040 spectrum 3 weight .10000E+01 volume .10735E-02 ppm1 1.087 ppm2 7.808 CV 1
ASSI { 1041}
(( segid " " and resid 74 and name HG12))
(( segid " " and resid 74 and name HN ))
2.900 1.100 1.100 peak 1041 spectrum 3 weight .10000E+01 volume .16290E-02 ppm1 2.130 ppm2 7.808 CV 1
ASSI { 1042}
(( segid " " and resid 74 and name HG13))
(( segid " " and resid 74 and name HN ))
3.300 1.400 1.400 peak 1042 spectrum 3 weight .10000E+01 volume .72701E-03 ppm1 1.991 ppm2 7.808 CV 1
ASSI { 1043}
( segid " " and resid 74 and name HG2%)
(( segid " " and resid 74 and name HN ))
3.000 1.100 1.100 peak 1043 spectrum 3 weight .10000E+01 volume .13553E-02 ppm1 1.212 ppm2 7.808 CV 1
ASSI { 1046}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 74 and name HN ))
3.200 1.300 1.300 peak 1046 spectrum 3 weight .10000E+01 volume .86781E-03 ppm1 8.277 ppm2 7.808 CV 1
ASSI { 1047}
( segid " " and resid 17 and name HD% )
(( segid " " and resid 75 and name HN ))
3.100 1.200 1.200 peak 1047 spectrum 3 weight .10000E+01 volume .10210E-02 ppm1 7.174 ppm2 7.428 CV 1
ASSI { 1048}
( segid " " and resid 17 and name HE% )
(( segid " " and resid 75 and name HN ))
3.200 1.300 1.300 peak 1048 spectrum 3 weight .10000E+01 volume .85562E-03 ppm1 6.737 ppm2 7.428 CV 1
ASSI { 1049}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 75 and name HN ))
3.600 1.600 1.600 peak 1049 spectrum 3 weight .10000E+01 volume .43526E-03 ppm1 3.470 ppm2 7.425 CV 1
ASSI { 1050}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 75 and name HN ))
3.000 1.100 1.100 peak 1050 spectrum 3 weight .10000E+01 volume .14132E-02 ppm1 4.143 ppm2 7.428 CV 1
ASSI { 1051}
( segid " " and resid 72 and name HD1%)
(( segid " " and resid 75 and name HN ))
3.200 1.300 1.300 peak 1051 spectrum 3 weight .10000E+01 volume .96516E-03 ppm1 .962 ppm2 7.428 CV 1
OR { 1051}
( segid " " and resid 72 and name HD2%)
(( segid " " and resid 75 and name HN ))
ASSI { 1052}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 75 and name HN ))
3.500 1.500 1.500 peak 1052 spectrum 3 weight .10000E+01 volume .55082E-03 ppm1 4.212 ppm2 7.427 CV 1
ASSI { 1053}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 75 and name HN ))
2.900 1.100 1.100 peak 1053 spectrum 3 weight .10000E+01 volume .14801E-02 ppm1 8.329 ppm2 7.426 CV 1
ASSI { 1054}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 75 and name HN ))
3.300 1.300 1.300 peak 1054 spectrum 3 weight .10000E+01 volume .80069E-03 ppm1 3.888 ppm2 7.427 CV 1
ASSI { 1055}
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 75 and name HN ))
3.100 1.200 1.200 peak 1055 spectrum 3 weight .10000E+01 volume .11633E-02 ppm1 2.267 ppm2 7.429 CV 1
ASSI { 1056}
( segid " " and resid 74 and name HG2%)
(( segid " " and resid 75 and name HN ))
3.100 1.200 1.200 peak 1056 spectrum 3 weight .10000E+01 volume .10430E-02 ppm1 1.207 ppm2 7.429 CV 1
ASSI { 1057}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 75 and name HN ))
3.000 1.100 1.100 peak 1057 spectrum 3 weight .10000E+01 volume .14423E-02 ppm1 7.805 ppm2 7.428 CV 1
ASSI { 1058}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HN ))
2.700 .900 .900 peak 1058 spectrum 3 weight .10000E+01 volume .26468E-02 ppm1 4.042 ppm2 7.427 CV 1
ASSI { 1059}
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HN ))
2.700 .900 .900 peak 1059 spectrum 3 weight .10000E+01 volume .23816E-02 ppm1 3.384 ppm2 7.428 CV 1
ASSI { 1060}
(( segid " " and resid 75 and name HB3 ))
(( segid " " and resid 75 and name HN ))
2.800 1.000 1.000 peak 1060 spectrum 3 weight .10000E+01 volume .18275E-02 ppm1 3.091 ppm2 7.427 CV 1
ASSI { 1063}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 76 and name HN ))
3.200 1.300 1.300 peak 1063 spectrum 3 weight .10000E+01 volume .92067E-03 ppm1 4.145 ppm2 8.279 CV 1
ASSI { 1064}
( segid " " and resid 72 and name HD1%)
(( segid " " and resid 76 and name HN ))
3.400 1.400 1.400 peak 1064 spectrum 3 weight .10000E+01 volume .68059E-03 ppm1 .961 ppm2 8.278 CV 1
OR { 1064}
( segid " " and resid 72 and name HD2%)
(( segid " " and resid 76 and name HN ))
ASSI { 1065}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 76 and name HN ))
3.000 1.100 1.100 peak 1065 spectrum 3 weight .10000E+01 volume .13442E-02 ppm1 4.209 ppm2 8.279 CV 1
ASSI { 1066}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 76 and name HN ))
3.300 1.400 1.400 peak 1066 spectrum 3 weight .10000E+01 volume .76066E-03 ppm1 3.892 ppm2 8.279 CV 1
ASSI { 1068}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 76 and name HN ))
2.500 .800 .800 peak 1068 spectrum 3 weight .10000E+01 volume .40929E-02 ppm1 4.042 ppm2 8.280 CV 1
ASSI { 1069}
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 76 and name HN ))
2.900 1.100 1.100 peak 1069 spectrum 3 weight .10000E+01 volume .14803E-02 ppm1 3.384 ppm2 8.278 CV 1
ASSI { 1070}
(( segid " " and resid 75 and name HB3 ))
(( segid " " and resid 76 and name HN ))
3.000 1.100 1.100 peak 1070 spectrum 3 weight .10000E+01 volume .12830E-02 ppm1 3.095 ppm2 8.278 CV 1
ASSI { 1071}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 76 and name HN ))
2.900 1.000 1.000 peak 1071 spectrum 3 weight .10000E+01 volume .16449E-02 ppm1 7.431 ppm2 8.282 CV 1
ASSI { 1072}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HN ))
2.500 .800 .800 peak 1072 spectrum 3 weight .10000E+01 volume .37117E-02 ppm1 4.022 ppm2 8.281 CV 1
ASSI { 1073}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 76 and name HN ))
2.400 .700 .700 peak 1073 spectrum 3 weight .10000E+01 volume .53699E-02 ppm1 2.013 ppm2 8.280 CV 1
OR { 1073}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 76 and name HN ))
ASSI { 1074}
(( segid " " and resid 76 and name HD3 ))
(( segid " " and resid 76 and name HN ))
2.900 1.000 1.000 peak 1074 spectrum 3 weight .10000E+01 volume .17293E-02 ppm1 1.730 ppm2 8.281 CV 1
OR { 1074}
(( segid " " and resid 76 and name HD2 ))
(( segid " " and resid 76 and name HN ))
ASSI { 1075}
(( segid " " and resid 76 and name HG2 ))
(( segid " " and resid 76 and name HN ))
2.900 1.000 1.000 peak 1075 spectrum 3 weight .10000E+01 volume .16917E-02 ppm1 1.587 ppm2 8.281 CV 1
OR { 1075}
(( segid " " and resid 76 and name HG3 ))
(( segid " " and resid 76 and name HN ))
ASSI { 1077}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HN ))
2.700 .900 .900 peak 1077 spectrum 3 weight .10000E+01 volume .27505E-02 ppm1 8.143 ppm2 8.280 CV 1
ASSI { 1079}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 77 and name HN ))
3.500 1.600 1.600 peak 1079 spectrum 3 weight .10000E+01 volume .48818E-03 ppm1 4.209 ppm2 8.141 CV 1
ASSI { 1080}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 77 and name HN ))
3.100 1.200 1.200 peak 1080 spectrum 3 weight .10000E+01 volume .11331E-02 ppm1 3.889 ppm2 8.147 CV 1
ASSI { 1081}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 77 and name HN ))
2.900 1.100 1.100 peak 1081 spectrum 3 weight .10000E+01 volume .15999E-02 ppm1 4.041 ppm2 8.147 CV 1
ASSI { 1082}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 77 and name HN ))
3.700 1.700 1.700 peak 1082 spectrum 3 weight .10000E+01 volume .37424E-03 ppm1 7.431 ppm2 8.147 CV 1
ASSI { 1083}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 77 and name HN ))
3.000 1.100 1.100 peak 1083 spectrum 3 weight .10000E+01 volume .13760E-02 ppm1 4.023 ppm2 8.147 CV 1
ASSI { 1084}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 77 and name HN ))
2.600 .800 .800 peak 1084 spectrum 3 weight .10000E+01 volume .32850E-02 ppm1 2.014 ppm2 8.147 CV 1
OR { 1084}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 77 and name HN ))
ASSI { 1085}
(( segid " " and resid 76 and name HD3 ))
(( segid " " and resid 77 and name HN ))
3.300 1.400 1.400 peak 1085 spectrum 3 weight .10000E+01 volume .72850E-03 ppm1 1.730 ppm2 8.146 CV 1
OR { 1085}
(( segid " " and resid 76 and name HD2 ))
(( segid " " and resid 77 and name HN ))
ASSI { 1086}
(( segid " " and resid 76 and name HG2 ))
(( segid " " and resid 77 and name HN ))
3.300 1.400 1.400 peak 1086 spectrum 3 weight .10000E+01 volume .72200E-03 ppm1 1.587 ppm2 8.146 CV 1
OR { 1086}
(( segid " " and resid 76 and name HG3 ))
(( segid " " and resid 77 and name HN ))
ASSI { 1088}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 77 and name HN ))
2.500 .800 .800 peak 1088 spectrum 3 weight .10000E+01 volume .38033E-02 ppm1 4.386 ppm2 8.147 CV 1
ASSI { 1089}
(( segid " " and resid 77 and name HB2 ))
(( segid " " and resid 77 and name HN ))
2.600 .800 .800 peak 1089 spectrum 3 weight .10000E+01 volume .30851E-02 ppm1 2.258 ppm2 8.147 CV 1
ASSI { 1090}
(( segid " " and resid 77 and name HB3 ))
(( segid " " and resid 77 and name HN ))
2.500 .800 .800 peak 1090 spectrum 3 weight .10000E+01 volume .42051E-02 ppm1 2.148 ppm2 8.147 CV 1
ASSI { 1091}
(( segid " " and resid 77 and name HG3 ))
(( segid " " and resid 77 and name HN ))
3.000 1.100 1.100 peak 1091 spectrum 3 weight .10000E+01 volume .14269E-02 ppm1 2.407 ppm2 8.147 CV 1
OR { 1091}
(( segid " " and resid 77 and name HG2 ))
(( segid " " and resid 77 and name HN ))
ASSI { 1093}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HN ))
2.700 .900 .900 peak 1093 spectrum 3 weight .10000E+01 volume .27227E-02 ppm1 7.787 ppm2 8.146 CV 1
ASSI { 1094}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 77 and name HN ))
3.400 1.500 1.500 peak 1094 spectrum 3 weight .10000E+01 volume .58049E-03 ppm1 7.616 ppm2 8.146 CV 1
ASSI { 1095}
(( segid " " and resid 13 and name HG ))
(( segid " " and resid 78 and name HN ))
3.000 1.100 1.100 peak 1095 spectrum 3 weight .10000E+01 volume .13177E-02 ppm1 2.015 ppm2 7.788 CV 1
ASSI { 1096}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 78 and name HN ))
2.800 1.000 1.000 peak 1096 spectrum 3 weight .10000E+01 volume .18757E-02 ppm1 3.888 ppm2 7.787 CV 1
ASSI { 1097}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 78 and name HN ))
3.000 1.100 1.100 peak 1097 spectrum 3 weight .10000E+01 volume .14201E-02 ppm1 4.041 ppm2 7.789 CV 1
ASSI { 1098}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 78 and name HN ))
3.000 1.100 1.100 peak 1098 spectrum 3 weight .10000E+01 volume .13027E-02 ppm1 4.025 ppm2 7.789 CV 1
ASSI { 1099}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 78 and name HN ))
3.000 1.200 1.200 peak 1099 spectrum 3 weight .10000E+01 volume .12288E-02 ppm1 8.282 ppm2 7.783 CV 1
ASSI { 1100}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 78 and name HN ))
3.200 1.200 1.200 peak 1100 spectrum 3 weight .10000E+01 volume .98450E-03 ppm1 4.387 ppm2 7.787 CV 1
ASSI { 1101}
(( segid " " and resid 77 and name HB2 ))
(( segid " " and resid 78 and name HN ))
2.900 1.000 1.000 peak 1101 spectrum 3 weight .10000E+01 volume .17402E-02 ppm1 2.258 ppm2 7.788 CV 1
ASSI { 1102}
(( segid " " and resid 77 and name HB3 ))
(( segid " " and resid 78 and name HN ))
2.600 .900 .900 peak 1102 spectrum 3 weight .10000E+01 volume .28201E-02 ppm1 2.148 ppm2 7.788 CV 1
ASSI { 1103}
(( segid " " and resid 77 and name HG3 ))
(( segid " " and resid 78 and name HN ))
3.200 1.300 1.300 peak 1103 spectrum 3 weight .10000E+01 volume .93287E-03 ppm1 2.409 ppm2 7.788 CV 1
OR { 1103}
(( segid " " and resid 77 and name HG2 ))
(( segid " " and resid 78 and name HN ))
ASSI { 1105}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HN ))
2.700 .900 .900 peak 1105 spectrum 3 weight .10000E+01 volume .24932E-02 ppm1 3.836 ppm2 7.787 CV 1
ASSI { 1106}
( segid " " and resid 78 and name HB% )
(( segid " " and resid 78 and name HN ))
2.300 .700 .700 peak 1106 spectrum 3 weight .10000E+01 volume .61531E-02 ppm1 1.324 ppm2 7.789 CV 1
ASSI { 1108}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HN ))
2.800 1.000 1.000 peak 1108 spectrum 3 weight .10000E+01 volume .18238E-02 ppm1 7.620 ppm2 7.785 CV 1
ASSI { 1109}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 78 and name HN ))
3.400 1.400 1.400 peak 1109 spectrum 3 weight .10000E+01 volume .68448E-03 ppm1 8.353 ppm2 7.783 CV 1
ASSI { 1110}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 79 and name HN ))
2.800 1.000 1.000 peak 1110 spectrum 3 weight .10000E+01 volume .18780E-02 ppm1 4.042 ppm2 7.616 CV 1
ASSI { 1111}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 79 and name HN ))
2.700 .900 .900 peak 1111 spectrum 3 weight .10000E+01 volume .23267E-02 ppm1 4.019 ppm2 7.616 CV 1
ASSI { 1112}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 79 and name HN ))
3.500 1.500 1.500 peak 1112 spectrum 3 weight .10000E+01 volume .56107E-03 ppm1 4.382 ppm2 7.612 CV 1
ASSI { 1114}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 79 and name HN ))
3.300 1.300 1.300 peak 1114 spectrum 3 weight .10000E+01 volume .78066E-03 ppm1 3.836 ppm2 7.616 CV 1
ASSI { 1115}
( segid " " and resid 78 and name HB% )
(( segid " " and resid 79 and name HN ))
2.600 .800 .800 peak 1115 spectrum 3 weight .10000E+01 volume .30859E-02 ppm1 1.325 ppm2 7.614 CV 1
ASSI { 1117}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HN ))
2.500 .800 .800 peak 1117 spectrum 3 weight .10000E+01 volume .39919E-02 ppm1 3.903 ppm2 7.616 CV 1
ASSI { 1118}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HN ))
2.300 .700 .700 peak 1118 spectrum 3 weight .10000E+01 volume .65537E-02 ppm1 2.163 ppm2 7.616 CV 1
ASSI { 1119}
(( segid " " and resid 79 and name HB3 ))
(( segid " " and resid 79 and name HN ))
2.300 .700 .700 peak 1119 spectrum 3 weight .10000E+01 volume .60313E-02 ppm1 2.103 ppm2 7.616 CV 1
ASSI { 1120}
(( segid " " and resid 79 and name HG3 ))
(( segid " " and resid 79 and name HN ))
2.700 .900 .900 peak 1120 spectrum 3 weight .10000E+01 volume .26026E-02 ppm1 2.291 ppm2 7.616 CV 1
OR { 1120}
(( segid " " and resid 79 and name HG2 ))
(( segid " " and resid 79 and name HN ))
ASSI { 1123}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 79 and name HN ))
2.900 1.000 1.000 peak 1123 spectrum 3 weight .10000E+01 volume .16594E-02 ppm1 8.302 ppm2 7.616 CV 1
ASSI { 1124}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 79 and name HE21))
3.600 1.600 1.600 peak 1124 spectrum 3 weight .10000E+01 volume .48250E-03 ppm1 4.039 ppm2 7.456 CV 1
ASSI { 1125}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HE21))
3.500 1.600 1.600 peak 1125 spectrum 3 weight .10000E+01 volume .50601E-03 ppm1 3.902 ppm2 7.456 CV 1
ASSI { 1126}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HE21))
2.700 .900 .900 peak 1126 spectrum 3 weight .10000E+01 volume .24890E-02 ppm1 2.165 ppm2 7.455 CV 1
ASSI { 1127}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HE22))
3.000 1.100 1.100 peak 1127 spectrum 3 weight .10000E+01 volume .14190E-02 ppm1 2.167 ppm2 6.853 CV 1
ASSI { 1128}
(( segid " " and resid 79 and name HB3 ))
(( segid " " and resid 79 and name HE21))
3.200 1.300 1.300 peak 1128 spectrum 3 weight .10000E+01 volume .87523E-03 ppm1 2.105 ppm2 7.455 CV 1
ASSI { 1129}
(( segid " " and resid 79 and name HB3 ))
(( segid " " and resid 79 and name HE22))
3.300 1.400 1.400 peak 1129 spectrum 3 weight .10000E+01 volume .72980E-03 ppm1 2.104 ppm2 6.853 CV 1
ASSI { 1134}
(( segid " " and resid 79 and name HG3 ))
(( segid " " and resid 79 and name HE21))
2.800 1.000 1.000 peak 1134 spectrum 3 weight .10000E+01 volume .18132E-02 ppm1 2.291 ppm2 7.456 CV 1
OR { 1134}
(( segid " " and resid 79 and name HG2 ))
(( segid " " and resid 79 and name HE21))
ASSI { 1135}
(( segid " " and resid 79 and name HG3 ))
(( segid " " and resid 79 and name HE22))
3.100 1.200 1.200 peak 1135 spectrum 3 weight .10000E+01 volume .11227E-02 ppm1 2.293 ppm2 6.852 CV 1
OR { 1135}
(( segid " " and resid 79 and name HG2 ))
(( segid " " and resid 79 and name HE22))
ASSI { 1136}
( segid " " and resid 82 and name HB% )
(( segid " " and resid 79 and name HE21))
3.600 1.600 1.600 peak 1136 spectrum 3 weight .10000E+01 volume .42373E-03 ppm1 1.550 ppm2 7.456 CV 1
ASSI { 1137}
( segid " " and resid 82 and name HB% )
(( segid " " and resid 79 and name HE22))
3.600 1.600 1.600 peak 1137 spectrum 3 weight .10000E+01 volume .43658E-03 ppm1 1.550 ppm2 6.853 CV 1
ASSI { 1138}
(( segid " " and resid 83 and name HG2 ))
(( segid " " and resid 79 and name HE21))
3.500 1.500 1.500 peak 1138 spectrum 3 weight .10000E+01 volume .56211E-03 ppm1 2.451 ppm2 7.455 CV 1
ASSI { 1139}
( segid " " and resid 89 and name HD1%)
(( segid " " and resid 79 and name HE21))
3.100 1.200 1.200 peak 1139 spectrum 3 weight .10000E+01 volume .10245E-02 ppm1 .918 ppm2 7.456 CV 1
OR { 1139}
( segid " " and resid 89 and name HD2%)
(( segid " " and resid 79 and name HE21))
ASSI { 1140}
( segid " " and resid 89 and name HD1%)
(( segid " " and resid 79 and name HE22))
3.200 1.300 1.300 peak 1140 spectrum 3 weight .10000E+01 volume .87233E-03 ppm1 .918 ppm2 6.851 CV 1
OR { 1140}
( segid " " and resid 89 and name HD2%)
(( segid " " and resid 79 and name HE22))
ASSI { 1141}
(( segid " " and resid 89 and name HG ))
(( segid " " and resid 79 and name HE21))
3.700 1.700 1.700 peak 1141 spectrum 3 weight .10000E+01 volume .37282E-03 ppm1 1.691 ppm2 7.456 CV 1
ASSI { 1142}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 80 and name HN ))
3.200 1.300 1.300 peak 1142 spectrum 3 weight .10000E+01 volume .85783E-03 ppm1 4.023 ppm2 8.355 CV 1
ASSI { 1143}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 80 and name HN ))
2.700 .900 .900 peak 1143 spectrum 3 weight .10000E+01 volume .25735E-02 ppm1 4.387 ppm2 8.356 CV 1
ASSI { 1144}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 80 and name HN ))
3.500 1.600 1.600 peak 1144 spectrum 3 weight .10000E+01 volume .50703E-03 ppm1 3.836 ppm2 8.354 CV 1
ASSI { 1146}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 80 and name HN ))
2.900 1.100 1.100 peak 1146 spectrum 3 weight .10000E+01 volume .15199E-02 ppm1 3.903 ppm2 8.354 CV 1
ASSI { 1147}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 80 and name HN ))
2.700 .900 .900 peak 1147 spectrum 3 weight .10000E+01 volume .26260E-02 ppm1 2.164 ppm2 8.355 CV 1
ASSI { 1148}
(( segid " " and resid 79 and name HB3 ))
(( segid " " and resid 80 and name HN ))
2.400 .700 .700 peak 1148 spectrum 3 weight .10000E+01 volume .51975E-02 ppm1 2.102 ppm2 8.355 CV 1
ASSI { 1149}
(( segid " " and resid 79 and name HG3 ))
(( segid " " and resid 80 and name HN ))
3.000 1.100 1.100 peak 1149 spectrum 3 weight .10000E+01 volume .14539E-02 ppm1 2.291 ppm2 8.355 CV 1
OR { 1149}
(( segid " " and resid 79 and name HG2 ))
(( segid " " and resid 80 and name HN ))
ASSI { 1150}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 80 and name HN ))
2.600 .800 .800 peak 1150 spectrum 3 weight .10000E+01 volume .34565E-02 ppm1 7.615 ppm2 8.354 CV 1
ASSI { 1151}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 80 and name HN ))
2.500 .800 .800 peak 1151 spectrum 3 weight .10000E+01 volume .38006E-02 ppm1 4.087 ppm2 8.355 CV 1
ASSI { 1152}
(( segid " " and resid 80 and name HB2 ))
(( segid " " and resid 80 and name HN ))
2.400 .700 .700 peak 1152 spectrum 3 weight .10000E+01 volume .56654E-02 ppm1 2.058 ppm2 8.355 CV 1
ASSI { 1153}
(( segid " " and resid 80 and name HB3 ))
(( segid " " and resid 80 and name HN ))
2.400 .700 .700 peak 1153 spectrum 3 weight .10000E+01 volume .44972E-02 ppm1 1.967 ppm2 8.355 CV 1
ASSI { 1154}
(( segid " " and resid 80 and name HG2 ))
(( segid " " and resid 80 and name HN ))
2.800 1.000 1.000 peak 1154 spectrum 3 weight .10000E+01 volume .20091E-02 ppm1 1.736 ppm2 8.355 CV 1
ASSI { 1155}
(( segid " " and resid 80 and name HG3 ))
(( segid " " and resid 80 and name HN ))
2.800 1.000 1.000 peak 1155 spectrum 3 weight .10000E+01 volume .18123E-02 ppm1 1.552 ppm2 8.355 CV 1
ASSI { 1157}
( segid " " and resid 81 and name HD1%)
(( segid " " and resid 80 and name HN ))
3.500 1.600 1.600 peak 1157 spectrum 3 weight .10000E+01 volume .50053E-03 ppm1 .814 ppm2 8.356 CV 1
ASSI { 1158}
( segid " " and resid 81 and name HG2%)
(( segid " " and resid 80 and name HN ))
3.600 1.600 1.600 peak 1158 spectrum 3 weight .10000E+01 volume .47266E-03 ppm1 .996 ppm2 8.357 CV 1
ASSI { 1160}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 81 and name HN ))
3.500 1.500 1.500 peak 1160 spectrum 3 weight .10000E+01 volume .52169E-03 ppm1 4.382 ppm2 8.302 CV 1
ASSI { 1161}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 81 and name HN ))
3.700 1.700 1.700 peak 1161 spectrum 3 weight .10000E+01 volume .40937E-03 ppm1 3.836 ppm2 8.302 CV 1
ASSI { 1162}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 81 and name HN ))
3.400 1.400 1.400 peak 1162 spectrum 3 weight .10000E+01 volume .63488E-03 ppm1 3.905 ppm2 8.300 CV 1
ASSI { 1163}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 81 and name HN ))
3.300 1.400 1.400 peak 1163 spectrum 3 weight .10000E+01 volume .74278E-03 ppm1 4.088 ppm2 8.302 CV 1
ASSI { 1164}
(( segid " " and resid 80 and name HB2 ))
(( segid " " and resid 81 and name HN ))
2.900 1.000 1.000 peak 1164 spectrum 3 weight .10000E+01 volume .17218E-02 ppm1 2.057 ppm2 8.298 CV 1
ASSI { 1165}
(( segid " " and resid 80 and name HB3 ))
(( segid " " and resid 81 and name HN ))
3.100 1.200 1.200 peak 1165 spectrum 3 weight .10000E+01 volume .10582E-02 ppm1 1.969 ppm2 8.298 CV 1
ASSI { 1166}
(( segid " " and resid 80 and name HG3 ))
(( segid " " and resid 81 and name HN ))
3.100 1.200 1.200 peak 1166 spectrum 3 weight .10000E+01 volume .11369E-02 ppm1 1.552 ppm2 8.298 CV 1
ASSI { 1167}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 81 and name HN ))
2.500 .800 .800 peak 1167 spectrum 3 weight .10000E+01 volume .39485E-02 ppm1 8.350 ppm2 8.299 CV 1
ASSI { 1168}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HN ))
2.900 1.100 1.100 peak 1168 spectrum 3 weight .10000E+01 volume .14800E-02 ppm1 3.532 ppm2 8.301 CV 1
ASSI { 1169}
( segid " " and resid 81 and name HD1%)
(( segid " " and resid 81 and name HN ))
2.700 .900 .900 peak 1169 spectrum 3 weight .10000E+01 volume .25682E-02 ppm1 .814 ppm2 8.297 CV 1
ASSI { 1170}
(( segid " " and resid 81 and name HG12))
(( segid " " and resid 81 and name HN ))
2.700 .900 .900 peak 1170 spectrum 3 weight .10000E+01 volume .23702E-02 ppm1 1.805 ppm2 8.297 CV 1
ASSI { 1171}
( segid " " and resid 81 and name HG2%)
(( segid " " and resid 81 and name HN ))
2.900 1.000 1.000 peak 1171 spectrum 3 weight .10000E+01 volume .17624E-02 ppm1 .998 ppm2 8.297 CV 1
ASSI { 1173}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HN ))
2.900 1.000 1.000 peak 1173 spectrum 3 weight .10000E+01 volume .16594E-02 ppm1 7.891 ppm2 8.298 CV 1
ASSI { 1174}
( segid " " and resid 10 and name HD1%)
(( segid " " and resid 82 and name HN ))
3.500 1.500 1.500 peak 1174 spectrum 3 weight .10000E+01 volume .54146E-03 ppm1 .500 ppm2 7.893 CV 1
ASSI { 1175}
(( segid " " and resid 10 and name HG13))
(( segid " " and resid 82 and name HN ))
3.100 1.200 1.200 peak 1175 spectrum 3 weight .10000E+01 volume .10148E-02 ppm1 .934 ppm2 7.894 CV 1
ASSI { 1176}
( segid " " and resid 10 and name HG2%)
(( segid " " and resid 82 and name HN ))
2.500 .800 .800 peak 1176 spectrum 3 weight .10000E+01 volume .35686E-02 ppm1 .791 ppm2 7.894 CV 1
ASSI { 1177}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 82 and name HN ))
3.100 1.200 1.200 peak 1177 spectrum 3 weight .10000E+01 volume .10370E-02 ppm1 3.835 ppm2 7.894 CV 1
ASSI { 1178}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 82 and name HN ))
2.700 .900 .900 peak 1178 spectrum 3 weight .10000E+01 volume .27890E-02 ppm1 3.904 ppm2 7.895 CV 1
ASSI { 1179}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 82 and name HN ))
3.200 1.300 1.300 peak 1179 spectrum 3 weight .10000E+01 volume .92712E-03 ppm1 4.072 ppm2 7.897 CV 1
ASSI { 1180}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 82 and name HN ))
3.100 1.200 1.200 peak 1180 spectrum 3 weight .10000E+01 volume .11358E-02 ppm1 8.354 ppm2 7.896 CV 1
ASSI { 1181}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 82 and name HN ))
3.100 1.200 1.200 peak 1181 spectrum 3 weight .10000E+01 volume .99637E-03 ppm1 3.534 ppm2 7.895 CV 1
ASSI { 1182}
(( segid " " and resid 81 and name HB ))
(( segid " " and resid 82 and name HN ))
2.700 .900 .900 peak 1182 spectrum 3 weight .10000E+01 volume .23818E-02 ppm1 1.692 ppm2 7.894 CV 1
ASSI { 1183}
( segid " " and resid 81 and name HD1%)
(( segid " " and resid 82 and name HN ))
2.600 .900 .900 peak 1183 spectrum 3 weight .10000E+01 volume .30671E-02 ppm1 .806 ppm2 7.894 CV 1
ASSI { 1184}
(( segid " " and resid 81 and name HG12))
(( segid " " and resid 82 and name HN ))
2.900 1.100 1.100 peak 1184 spectrum 3 weight .10000E+01 volume .16351E-02 ppm1 1.804 ppm2 7.894 CV 1
ASSI { 1185}
(( segid " " and resid 81 and name HG13))
(( segid " " and resid 82 and name HN ))
2.800 1.000 1.000 peak 1185 spectrum 3 weight .10000E+01 volume .19951E-02 ppm1 1.736 ppm2 7.894 CV 1
ASSI { 1186}
( segid " " and resid 81 and name HG2%)
(( segid " " and resid 82 and name HN ))
3.000 1.100 1.100 peak 1186 spectrum 3 weight .10000E+01 volume .12519E-02 ppm1 .998 ppm2 7.894 CV 1
ASSI { 1188}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HN ))
2.500 .800 .800 peak 1188 spectrum 3 weight .10000E+01 volume .38262E-02 ppm1 3.927 ppm2 7.895 CV 1
ASSI { 1189}
( segid " " and resid 82 and name HB% )
(( segid " " and resid 82 and name HN ))
2.300 .700 .700 peak 1189 spectrum 3 weight .10000E+01 volume .59677E-02 ppm1 1.551 ppm2 7.893 CV 1
ASSI { 1192}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 82 and name HN ))
3.400 1.500 1.500 peak 1192 spectrum 3 weight .10000E+01 volume .57858E-03 ppm1 8.409 ppm2 7.896 CV 1
ASSI { 1193}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 83 and name HN ))
2.900 1.000 1.000 peak 1193 spectrum 3 weight .10000E+01 volume .17373E-02 ppm1 3.906 ppm2 8.682 CV 1
ASSI { 1194}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 83 and name HN ))
2.400 .700 .700 peak 1194 spectrum 3 weight .10000E+01 volume .54678E-02 ppm1 4.086 ppm2 8.683 CV 1
ASSI { 1195}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 83 and name HN ))
3.500 1.600 1.600 peak 1195 spectrum 3 weight .10000E+01 volume .50076E-03 ppm1 8.301 ppm2 8.682 CV 1
ASSI { 1196}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 83 and name HN ))
2.700 .900 .900 peak 1196 spectrum 3 weight .10000E+01 volume .22502E-02 ppm1 3.927 ppm2 8.682 CV 1
ASSI { 1197}
( segid " " and resid 82 and name HB% )
(( segid " " and resid 83 and name HN ))
2.500 .800 .800 peak 1197 spectrum 3 weight .10000E+01 volume .38800E-02 ppm1 1.551 ppm2 8.678 CV 1
ASSI { 1198}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 83 and name HN ))
2.700 .900 .900 peak 1198 spectrum 3 weight .10000E+01 volume .23557E-02 ppm1 7.902 ppm2 8.681 CV 1
ASSI { 1199}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HN ))
2.300 .600 .600 peak 1199 spectrum 3 weight .10000E+01 volume .70518E-02 ppm1 4.066 ppm2 8.683 CV 1
ASSI { 1200}
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 83 and name HN ))
2.400 .700 .700 peak 1200 spectrum 3 weight .10000E+01 volume .52427E-02 ppm1 2.152 ppm2 8.680 CV 1
ASSI { 1201}
(( segid " " and resid 83 and name HB3 ))
(( segid " " and resid 83 and name HN ))
2.500 .800 .800 peak 1201 spectrum 3 weight .10000E+01 volume .42535E-02 ppm1 2.080 ppm2 8.680 CV 1
ASSI { 1202}
(( segid " " and resid 83 and name HG2 ))
(( segid " " and resid 83 and name HN ))
2.700 .900 .900 peak 1202 spectrum 3 weight .10000E+01 volume .27125E-02 ppm1 2.451 ppm2 8.682 CV 1
ASSI { 1203}
(( segid " " and resid 83 and name HG3 ))
(( segid " " and resid 83 and name HN ))
2.700 .900 .900 peak 1203 spectrum 3 weight .10000E+01 volume .24345E-02 ppm1 2.289 ppm2 8.682 CV 1
ASSI { 1205}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HN ))
2.600 .800 .800 peak 1205 spectrum 3 weight .10000E+01 volume .31359E-02 ppm1 8.409 ppm2 8.682 CV 1
ASSI { 1206}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 83 and name HN ))
3.700 1.700 1.700 peak 1206 spectrum 3 weight .10000E+01 volume .36274E-03 ppm1 7.300 ppm2 8.678 CV 1
ASSI { 1207}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 84 and name HN ))
3.200 1.200 1.200 peak 1207 spectrum 3 weight .10000E+01 volume .98878E-03 ppm1 4.088 ppm2 8.407 CV 1
ASSI { 1208}
(( segid " " and resid 80 and name HG3 ))
(( segid " " and resid 84 and name HN ))
3.000 1.200 1.200 peak 1208 spectrum 3 weight .10000E+01 volume .12105E-02 ppm1 1.554 ppm2 8.406 CV 1
ASSI { 1209}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 84 and name HN ))
3.500 1.500 1.500 peak 1209 spectrum 3 weight .10000E+01 volume .51990E-03 ppm1 3.535 ppm2 8.409 CV 1
ASSI { 1210}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 84 and name HN ))
2.400 .700 .700 peak 1210 spectrum 3 weight .10000E+01 volume .45621E-02 ppm1 3.923 ppm2 8.408 CV 1
ASSI { 1212}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 84 and name HN ))
2.800 1.000 1.000 peak 1212 spectrum 3 weight .10000E+01 volume .21361E-02 ppm1 4.062 ppm2 8.407 CV 1
ASSI { 1213}
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 84 and name HN ))
2.800 1.000 1.000 peak 1213 spectrum 3 weight .10000E+01 volume .19543E-02 ppm1 2.151 ppm2 8.406 CV 1
ASSI { 1214}
(( segid " " and resid 83 and name HB3 ))
(( segid " " and resid 84 and name HN ))
2.800 1.000 1.000 peak 1214 spectrum 3 weight .10000E+01 volume .20913E-02 ppm1 2.081 ppm2 8.406 CV 1
ASSI { 1215}
(( segid " " and resid 83 and name HG2 ))
(( segid " " and resid 84 and name HN ))
3.100 1.200 1.200 peak 1215 spectrum 3 weight .10000E+01 volume .10184E-02 ppm1 2.452 ppm2 8.406 CV 1
ASSI { 1216}
(( segid " " and resid 83 and name HG3 ))
(( segid " " and resid 84 and name HN ))
3.100 1.200 1.200 peak 1216 spectrum 3 weight .10000E+01 volume .10152E-02 ppm1 2.291 ppm2 8.406 CV 1
ASSI { 1218}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 84 and name HN ))
2.500 .800 .800 peak 1218 spectrum 3 weight .10000E+01 volume .37934E-02 ppm1 4.179 ppm2 8.406 CV 1
ASSI { 1219}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 84 and name HN ))
2.400 .700 .700 peak 1219 spectrum 3 weight .10000E+01 volume .57027E-02 ppm1 3.949 ppm2 8.408 CV 1
OR { 1219}
(( segid " " and resid 84 and name HB3 ))
(( segid " " and resid 84 and name HN ))
ASSI { 1221}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HN ))
2.600 .800 .800 peak 1221 spectrum 3 weight .10000E+01 volume .32039E-02 ppm1 7.291 ppm2 8.406 CV 1
ASSI { 1222}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 85 and name HN ))
3.000 1.100 1.100 peak 1222 spectrum 3 weight .10000E+01 volume .14132E-02 ppm1 3.923 ppm2 7.300 CV 1
ASSI { 1224}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 85 and name HN ))
3.400 1.500 1.500 peak 1224 spectrum 3 weight .10000E+01 volume .57932E-03 ppm1 4.179 ppm2 7.300 CV 1
ASSI { 1225}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 85 and name HN ))
3.000 1.100 1.100 peak 1225 spectrum 3 weight .10000E+01 volume .14438E-02 ppm1 3.948 ppm2 7.300 CV 1
OR { 1225}
(( segid " " and resid 84 and name HB3 ))
(( segid " " and resid 85 and name HN ))
ASSI { 1227}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 85 and name HN ))
2.700 .900 .900 peak 1227 spectrum 3 weight .10000E+01 volume .24125E-02 ppm1 4.779 ppm2 7.301 CV 1
ASSI { 1228}
(( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 85 and name HN ))
2.900 1.100 1.100 peak 1228 spectrum 3 weight .10000E+01 volume .15657E-02 ppm1 2.880 ppm2 7.301 CV 1
ASSI { 1229}
(( segid " " and resid 85 and name HB3 ))
(( segid " " and resid 85 and name HN ))
2.900 1.100 1.100 peak 1229 spectrum 3 weight .10000E+01 volume .15509E-02 ppm1 2.462 ppm2 7.301 CV 1
ASSI { 1230}
(( segid " " and resid 85 and name HD21))
(( segid " " and resid 85 and name HN ))
3.000 1.200 1.200 peak 1230 spectrum 3 weight .10000E+01 volume .12186E-02 ppm1 8.036 ppm2 7.300 CV 1
ASSI { 1231}
(( segid " " and resid 85 and name HD22))
(( segid " " and resid 85 and name HN ))
2.700 .900 .900 peak 1231 spectrum 3 weight .10000E+01 volume .25761E-02 ppm1 7.254 ppm2 7.300 CV 1
ASSI { 1233}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 85 and name HN ))
3.200 1.300 1.300 peak 1233 spectrum 3 weight .10000E+01 volume .84303E-03 ppm1 4.270 ppm2 7.298 CV 1
ASSI { 1234}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HN ))
3.100 1.200 1.200 peak 1234 spectrum 3 weight .10000E+01 volume .99423E-03 ppm1 7.706 ppm2 7.301 CV 1
ASSI { 1235}
(( segid " " and resid 87 and name HG12))
(( segid " " and resid 85 and name HN ))
3.300 1.400 1.400 peak 1235 spectrum 3 weight .10000E+01 volume .74359E-03 ppm1 1.529 ppm2 7.300 CV 1
OR { 1235}
(( segid " " and resid 87 and name HG13))
(( segid " " and resid 85 and name HN ))
ASSI { 1236}
( segid " " and resid 87 and name HG2%)
(( segid " " and resid 85 and name HN ))
3.100 1.200 1.200 peak 1236 spectrum 3 weight .10000E+01 volume .11047E-02 ppm1 .815 ppm2 7.300 CV 1
ASSI { 1237}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 85 and name HN ))
3.000 1.100 1.100 peak 1237 spectrum 3 weight .10000E+01 volume .13075E-02 ppm1 8.449 ppm2 7.299 CV 1
ASSI { 1238}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 85 and name HD21))
3.600 1.600 1.600 peak 1238 spectrum 3 weight .10000E+01 volume .47482E-03 ppm1 3.534 ppm2 8.032 CV 1
ASSI { 1239}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 85 and name HD22))
3.500 1.600 1.600 peak 1239 spectrum 3 weight .10000E+01 volume .49337E-03 ppm1 3.534 ppm2 7.255 CV 1
ASSI { 1240}
( segid " " and resid 81 and name HD1%)
(( segid " " and resid 85 and name HD21))
3.100 1.200 1.200 peak 1240 spectrum 3 weight .10000E+01 volume .10610E-02 ppm1 .816 ppm2 8.032 CV 1
ASSI { 1241}
( segid " " and resid 81 and name HD1%)
(( segid " " and resid 85 and name HD22))
2.900 1.100 1.100 peak 1241 spectrum 3 weight .10000E+01 volume .14862E-02 ppm1 .816 ppm2 7.252 CV 1
ASSI { 1242}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 85 and name HD21))
3.600 1.600 1.600 peak 1242 spectrum 3 weight .10000E+01 volume .42293E-03 ppm1 3.951 ppm2 8.030 CV 1
OR { 1242}
(( segid " " and resid 84 and name HB3 ))
(( segid " " and resid 85 and name HD21))
ASSI { 1243}
(( segid " " and resid 84 and name HB2 ))
(( segid " " and resid 85 and name HD22))
3.500 1.500 1.500 peak 1243 spectrum 3 weight .10000E+01 volume .53386E-03 ppm1 3.951 ppm2 7.250 CV 1
OR { 1243}
(( segid " " and resid 84 and name HB3 ))
(( segid " " and resid 85 and name HD22))
ASSI { 1244}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 85 and name HD21))
3.700 1.700 1.700 peak 1244 spectrum 3 weight .10000E+01 volume .38560E-03 ppm1 4.780 ppm2 8.036 CV 1
ASSI { 1245}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 85 and name HD22))
3.300 1.400 1.400 peak 1245 spectrum 3 weight .10000E+01 volume .76142E-03 ppm1 4.780 ppm2 7.255 CV 1
ASSI { 1246}
(( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 85 and name HD21))
3.700 1.700 1.700 peak 1246 spectrum 3 weight .10000E+01 volume .39091E-03 ppm1 2.881 ppm2 8.034 CV 1
ASSI { 1247}
(( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 85 and name HD22))
3.300 1.400 1.400 peak 1247 spectrum 3 weight .10000E+01 volume .73306E-03 ppm1 2.878 ppm2 7.255 CV 1
ASSI { 1248}
(( segid " " and resid 85 and name HB3 ))
(( segid " " and resid 85 and name HD21))
3.200 1.300 1.300 peak 1248 spectrum 3 weight .10000E+01 volume .82881E-03 ppm1 2.461 ppm2 8.032 CV 1
ASSI { 1249}
(( segid " " and resid 85 and name HB3 ))
(( segid " " and resid 85 and name HD22))
3.400 1.400 1.400 peak 1249 spectrum 3 weight .10000E+01 volume .68325E-03 ppm1 2.459 ppm2 7.255 CV 1
ASSI { 1254}
( segid " " and resid 87 and name HG2%)
(( segid " " and resid 85 and name HD21))
3.100 1.200 1.200 peak 1254 spectrum 3 weight .10000E+01 volume .10610E-02 ppm1 .816 ppm2 8.032 CV 1
ASSI { 1255}
( segid " " and resid 87 and name HG2%)
(( segid " " and resid 85 and name HD22))
2.900 1.100 1.100 peak 1255 spectrum 3 weight .10000E+01 volume .14862E-02 ppm1 .816 ppm2 7.252 CV 1
ASSI { 1256}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 86 and name HN ))
3.000 1.100 1.100 peak 1256 spectrum 3 weight .10000E+01 volume .14490E-02 ppm1 4.777 ppm2 7.705 CV 1
ASSI { 1258}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HN ))
2.700 .900 .900 peak 1258 spectrum 3 weight .10000E+01 volume .25956E-02 ppm1 4.272 ppm2 7.703 CV 1
ASSI { 1259}
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 86 and name HN ))
3.400 1.400 1.400 peak 1259 spectrum 3 weight .10000E+01 volume .66133E-03 ppm1 3.427 ppm2 7.705 CV 1
ASSI { 1260}
(( segid " " and resid 86 and name HB3 ))
(( segid " " and resid 86 and name HN ))
3.200 1.300 1.300 peak 1260 spectrum 3 weight .10000E+01 volume .83828E-03 ppm1 3.332 ppm2 7.707 CV 1
ASSI { 1263}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 87 and name HN ))
3.000 1.100 1.100 peak 1263 spectrum 3 weight .10000E+01 volume .13877E-02 ppm1 3.932 ppm2 8.452 CV 1
ASSI { 1265}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 87 and name HN ))
2.500 .800 .800 peak 1265 spectrum 3 weight .10000E+01 volume .36975E-02 ppm1 4.271 ppm2 8.452 CV 1
ASSI { 1266}
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 87 and name HN ))
3.300 1.400 1.400 peak 1266 spectrum 3 weight .10000E+01 volume .69467E-03 ppm1 3.426 ppm2 8.451 CV 1
ASSI { 1267}
(( segid " " and resid 86 and name HB3 ))
(( segid " " and resid 87 and name HN ))
3.100 1.200 1.200 peak 1267 spectrum 3 weight .10000E+01 volume .10635E-02 ppm1 3.327 ppm2 8.451 CV 1
ASSI { 1268}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 87 and name HN ))
3.000 1.100 1.100 peak 1268 spectrum 3 weight .10000E+01 volume .13166E-02 ppm1 7.707 ppm2 8.452 CV 1
ASSI { 1269}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 87 and name HN ))
3.000 1.100 1.100 peak 1269 spectrum 3 weight .10000E+01 volume .13269E-02 ppm1 4.122 ppm2 8.451 CV 1
ASSI { 1270}
(( segid " " and resid 87 and name HB ))
(( segid " " and resid 87 and name HN ))
2.400 .700 .700 peak 1270 spectrum 3 weight .10000E+01 volume .47333E-02 ppm1 1.634 ppm2 8.453 CV 1
ASSI { 1271}
( segid " " and resid 87 and name HD1%)
(( segid " " and resid 87 and name HN ))
2.900 1.100 1.100 peak 1271 spectrum 3 weight .10000E+01 volume .15076E-02 ppm1 1.025 ppm2 8.453 CV 1
ASSI { 1272}
(( segid " " and resid 87 and name HG13))
(( segid " " and resid 87 and name HN ))
2.500 .800 .800 peak 1272 spectrum 3 weight .10000E+01 volume .37743E-02 ppm1 1.518 ppm2 8.453 CV 1
OR { 1272}
(( segid " " and resid 87 and name HG12))
(( segid " " and resid 87 and name HN ))
ASSI { 1273}
( segid " " and resid 87 and name HG2%)
(( segid " " and resid 87 and name HN ))
2.500 .800 .800 peak 1273 spectrum 3 weight .10000E+01 volume .37491E-02 ppm1 .815 ppm2 8.451 CV 1
ASSI { 1275}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HN ))
3.200 1.300 1.300 peak 1275 spectrum 3 weight .10000E+01 volume .92875E-03 ppm1 8.600 ppm2 8.452 CV 1
ASSI { 1276}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 88 and name HN ))
2.300 .700 .700 peak 1276 spectrum 3 weight .10000E+01 volume .60654E-02 ppm1 4.122 ppm2 8.596 CV 1
ASSI { 1277}
(( segid " " and resid 87 and name HB ))
(( segid " " and resid 88 and name HN ))
3.200 1.300 1.300 peak 1277 spectrum 3 weight .10000E+01 volume .96362E-03 ppm1 1.634 ppm2 8.597 CV 1
ASSI { 1278}
( segid " " and resid 87 and name HG2%)
(( segid " " and resid 88 and name HN ))
2.600 .900 .900 peak 1278 spectrum 3 weight .10000E+01 volume .28615E-02 ppm1 .814 ppm2 8.597 CV 1
ASSI { 1279}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 88 and name HN ))
2.900 1.000 1.000 peak 1279 spectrum 3 weight .10000E+01 volume .18020E-02 ppm1 4.353 ppm2 8.597 CV 1
ASSI { 1280}
(( segid " " and resid 88 and name HB2 ))
(( segid " " and resid 88 and name HN ))
2.600 .800 .800 peak 1280 spectrum 3 weight .10000E+01 volume .32726E-02 ppm1 1.762 ppm2 8.596 CV 1
OR { 1280}
(( segid " " and resid 88 and name HB3 ))
(( segid " " and resid 88 and name HN ))
ASSI { 1281}
(( segid " " and resid 88 and name HG2 ))
(( segid " " and resid 88 and name HN ))
3.300 1.300 1.300 peak 1281 spectrum 3 weight .10000E+01 volume .81066E-03 ppm1 1.458 ppm2 8.597 CV 1
ASSI { 1282}
(( segid " " and resid 88 and name HG3 ))
(( segid " " and resid 88 and name HN ))
3.600 1.600 1.600 peak 1282 spectrum 3 weight .10000E+01 volume .44009E-03 ppm1 1.379 ppm2 8.597 CV 1
ASSI { 1285}
( segid " " and resid 87 and name HG2%)
(( segid " " and resid 89 and name HN ))
3.600 1.600 1.600 peak 1285 spectrum 3 weight .10000E+01 volume .42536E-03 ppm1 .815 ppm2 8.459 CV 1
ASSI { 1286}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 89 and name HN ))
2.300 .700 .700 peak 1286 spectrum 3 weight .10000E+01 volume .59728E-02 ppm1 4.353 ppm2 8.460 CV 1
ASSI { 1287}
(( segid " " and resid 88 and name HB3 ))
(( segid " " and resid 89 and name HN ))
2.900 1.000 1.000 peak 1287 spectrum 3 weight .10000E+01 volume .17213E-02 ppm1 1.762 ppm2 8.455 CV 1
OR { 1287}
(( segid " " and resid 88 and name HB2 ))
(( segid " " and resid 89 and name HN ))
ASSI { 1288}
(( segid " " and resid 88 and name HG2 ))
(( segid " " and resid 89 and name HN ))
3.300 1.400 1.400 peak 1288 spectrum 3 weight .10000E+01 volume .72275E-03 ppm1 1.461 ppm2 8.457 CV 1
ASSI { 1289}
(( segid " " and resid 88 and name HG3 ))
(( segid " " and resid 89 and name HN ))
3.700 1.700 1.700 peak 1289 spectrum 3 weight .10000E+01 volume .39576E-03 ppm1 1.361 ppm2 8.457 CV 1
ASSI { 1290}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 89 and name HN ))
2.700 .900 .900 peak 1290 spectrum 3 weight .10000E+01 volume .25234E-02 ppm1 8.601 ppm2 8.464 CV 1
ASSI { 1291}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 89 and name HN ))
3.000 1.200 1.200 peak 1291 spectrum 3 weight .10000E+01 volume .12224E-02 ppm1 4.533 ppm2 8.460 CV 1
ASSI { 1292}
(( segid " " and resid 89 and name HB2 ))
(( segid " " and resid 89 and name HN ))
2.800 1.000 1.000 peak 1292 spectrum 3 weight .10000E+01 volume .19555E-02 ppm1 1.782 ppm2 8.457 CV 1
ASSI { 1293}
(( segid " " and resid 89 and name HB3 ))
(( segid " " and resid 89 and name HN ))
2.600 .800 .800 peak 1293 spectrum 3 weight .10000E+01 volume .31878E-02 ppm1 1.634 ppm2 8.457 CV 1
ASSI { 1294}
( segid " " and resid 89 and name HD1%)
(( segid " " and resid 89 and name HN ))
2.900 1.100 1.100 peak 1294 spectrum 3 weight .10000E+01 volume .16176E-02 ppm1 .909 ppm2 8.459 CV 1
OR { 1294}
( segid " " and resid 89 and name HD2%)
(( segid " " and resid 89 and name HN ))
ASSI { 1295}
(( segid " " and resid 89 and name HG ))
(( segid " " and resid 89 and name HN ))
2.400 .700 .700 peak 1295 spectrum 3 weight .10000E+01 volume .52155E-02 ppm1 1.689 ppm2 8.457 CV 1
ASSI { 1297}
(( segid " " and resid 91 and name HA2 ))
(( segid " " and resid 91 and name HN ))
3.700 1.700 1.700 peak 1297 spectrum 3 weight .10000E+01 volume .39780E-03 ppm1 4.111 ppm2 8.292 CV 1
ASSI { 1298}
(( segid " " and resid 91 and name HA2 ))
(( segid " " and resid 92 and name HN ))
3.200 1.300 1.300 peak 1298 spectrum 3 weight .10000E+01 volume .82843E-03 ppm1 4.112 ppm2 7.973 CV 1
ASSI { 1300}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HN ))
2.900 1.100 1.100 peak 1300 spectrum 3 weight .10000E+01 volume .16012E-02 ppm1 4.433 ppm2 7.973 CV 1
ASSI { 1301}
(( segid " " and resid 92 and name HB3 ))
(( segid " " and resid 92 and name HN ))
2.900 1.000 1.000 peak 1301 spectrum 3 weight .10000E+01 volume .17823E-02 ppm1 3.719 ppm2 7.968 CV 1
OR { 1301}
(( segid " " and resid 92 and name HB2 ))
(( segid " " and resid 92 and name HN ))
ASSI { 1303}
( segid " " and resid 15 and name HD2%)
(( segid " " and resid 95 and name HN ))
3.600 1.700 1.700 peak 1303 spectrum 3 weight .10000E+01 volume .42094E-03 ppm1 .484 ppm2 8.676 CV 1
OR { 1303}
( segid " " and resid 15 and name HD1%)
(( segid " " and resid 95 and name HN ))
ASSI { 1304}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 95 and name HN ))
2.900 1.100 1.100 peak 1304 spectrum 3 weight .10000E+01 volume .15365E-02 ppm1 1.722 ppm2 8.682 CV 1
ASSI { 1305}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 95 and name HN ))
3.200 1.300 1.300 peak 1305 spectrum 3 weight .10000E+01 volume .94374E-03 ppm1 3.476 ppm2 8.683 CV 1
ASSI { 1306}
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 95 and name HN ))
3.500 1.500 1.500 peak 1306 spectrum 3 weight .10000E+01 volume .57274E-03 ppm1 3.134 ppm2 8.683 CV 1
ASSI { 1307}
(( segid " " and resid 93 and name HB3 ))
(( segid " " and resid 95 and name HN ))
3.300 1.400 1.400 peak 1307 spectrum 3 weight .10000E+01 volume .69519E-03 ppm1 3.028 ppm2 8.683 CV 1
ASSI { 1308}
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 95 and name HN ))
3.400 1.400 1.400 peak 1308 spectrum 3 weight .10000E+01 volume .62395E-03 ppm1 4.877 ppm2 8.684 CV 1
ASSI { 1309}
(( segid " " and resid 94 and name HB2 ))
(( segid " " and resid 95 and name HN ))
2.800 1.000 1.000 peak 1309 spectrum 3 weight .10000E+01 volume .18301E-02 ppm1 1.737 ppm2 8.682 CV 1
ASSI { 1310}
(( segid " " and resid 94 and name HB3 ))
(( segid " " and resid 95 and name HN ))
3.300 1.300 1.300 peak 1310 spectrum 3 weight .10000E+01 volume .78796E-03 ppm1 1.978 ppm2 8.682 CV 1
ASSI { 1311}
(( segid " " and resid 94 and name HD2 ))
(( segid " " and resid 95 and name HN ))
3.100 1.200 1.200 peak 1311 spectrum 3 weight .10000E+01 volume .11024E-02 ppm1 4.204 ppm2 8.684 CV 1
ASSI { 1312}
(( segid " " and resid 94 and name HD3 ))
(( segid " " and resid 95 and name HN ))
3.300 1.300 1.300 peak 1312 spectrum 3 weight .10000E+01 volume .81164E-03 ppm1 4.034 ppm2 8.684 CV 1
ASSI { 1313}
(( segid " " and resid 94 and name HG2 ))
(( segid " " and resid 95 and name HN ))
3.000 1.100 1.100 peak 1313 spectrum 3 weight .10000E+01 volume .14435E-02 ppm1 1.069 ppm2 8.682 CV 1
ASSI { 1314}
(( segid " " and resid 94 and name HG3 ))
(( segid " " and resid 95 and name HN ))
3.000 1.100 1.100 peak 1314 spectrum 3 weight .10000E+01 volume .12488E-02 ppm1 1.276 ppm2 8.684 CV 1
ASSI { 1315}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 95 and name HN ))
2.800 1.000 1.000 peak 1315 spectrum 3 weight .10000E+01 volume .21444E-02 ppm1 4.663 ppm2 8.683 CV 1
ASSI { 1316}
(( segid " " and resid 95 and name HB2 ))
(( segid " " and resid 95 and name HN ))
2.900 1.000 1.000 peak 1316 spectrum 3 weight .10000E+01 volume .16701E-02 ppm1 3.305 ppm2 8.682 CV 1
ASSI { 1317}
(( segid " " and resid 95 and name HB3 ))
(( segid " " and resid 95 and name HN ))
3.000 1.100 1.100 peak 1317 spectrum 3 weight .10000E+01 volume .14290E-02 ppm1 2.773 ppm2 8.682 CV 1
ASSI { 1318}
( segid " " and resid 95 and name HD% )
(( segid " " and resid 95 and name HN ))
2.800 1.000 1.000 peak 1318 spectrum 3 weight .10000E+01 volume .19859E-02 ppm1 7.072 ppm2 8.681 CV 1
ASSI { 1319}
( segid " " and resid 95 and name HE% )
(( segid " " and resid 95 and name HN ))
3.400 1.500 1.500 peak 1319 spectrum 3 weight .10000E+01 volume .59205E-03 ppm1 6.979 ppm2 8.681 CV 1
ASSI { 1322}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 96 and name HN ))
2.900 1.100 1.100 peak 1322 spectrum 3 weight .10000E+01 volume .15142E-02 ppm1 1.721 ppm2 7.329 CV 1
ASSI { 1323}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 96 and name HN ))
3.700 1.700 1.700 peak 1323 spectrum 3 weight .10000E+01 volume .38800E-03 ppm1 3.476 ppm2 7.329 CV 1
ASSI { 1324}
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 96 and name HN ))
3.400 1.400 1.400 peak 1324 spectrum 3 weight .10000E+01 volume .64112E-03 ppm1 3.133 ppm2 7.328 CV 1
ASSI { 1325}
(( segid " " and resid 93 and name HB3 ))
(( segid " " and resid 96 and name HN ))
3.100 1.200 1.200 peak 1325 spectrum 3 weight .10000E+01 volume .10848E-02 ppm1 3.030 ppm2 7.328 CV 1
ASSI { 1326}
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 96 and name HN ))
2.500 .800 .800 peak 1326 spectrum 3 weight .10000E+01 volume .38789E-02 ppm1 4.874 ppm2 7.329 CV 1
ASSI { 1327}
(( segid " " and resid 94 and name HB2 ))
(( segid " " and resid 96 and name HN ))
2.900 1.000 1.000 peak 1327 spectrum 3 weight .10000E+01 volume .17415E-02 ppm1 1.737 ppm2 7.328 CV 1
ASSI { 1328}
(( segid " " and resid 94 and name HD2 ))
(( segid " " and resid 96 and name HN ))
3.400 1.400 1.400 peak 1328 spectrum 3 weight .10000E+01 volume .66387E-03 ppm1 4.207 ppm2 7.329 CV 1
ASSI { 1329}
(( segid " " and resid 94 and name HD3 ))
(( segid " " and resid 96 and name HN ))
3.500 1.600 1.600 peak 1329 spectrum 3 weight .10000E+01 volume .48539E-03 ppm1 4.035 ppm2 7.329 CV 1
ASSI { 1330}
(( segid " " and resid 94 and name HG2 ))
(( segid " " and resid 96 and name HN ))
3.100 1.200 1.200 peak 1330 spectrum 3 weight .10000E+01 volume .11006E-02 ppm1 1.072 ppm2 7.329 CV 1
ASSI { 1331}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 96 and name HN ))
2.800 1.000 1.000 peak 1331 spectrum 3 weight .10000E+01 volume .19277E-02 ppm1 4.663 ppm2 7.328 CV 1
ASSI { 1332}
(( segid " " and resid 95 and name HB2 ))
(( segid " " and resid 96 and name HN ))
2.900 1.100 1.100 peak 1332 spectrum 3 weight .10000E+01 volume .15845E-02 ppm1 3.304 ppm2 7.329 CV 1
ASSI { 1333}
(( segid " " and resid 95 and name HB3 ))
(( segid " " and resid 96 and name HN ))
3.000 1.100 1.100 peak 1333 spectrum 3 weight .10000E+01 volume .13311E-02 ppm1 2.774 ppm2 7.329 CV 1
ASSI { 1334}
( segid " " and resid 95 and name HD% )
(( segid " " and resid 96 and name HN ))
3.100 1.200 1.200 peak 1334 spectrum 3 weight .10000E+01 volume .11031E-02 ppm1 7.072 ppm2 7.329 CV 1
ASSI { 1335}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 96 and name HN ))
2.200 .600 .600 peak 1335 spectrum 3 weight .10000E+01 volume .79637E-02 ppm1 8.685 ppm2 7.329 CV 1
ASSI { 1336}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 96 and name HN ))
2.500 .800 .800 peak 1336 spectrum 3 weight .10000E+01 volume .38397E-02 ppm1 4.888 ppm2 7.329 CV 1
ASSI { 1337}
(( segid " " and resid 96 and name HB ))
(( segid " " and resid 96 and name HN ))
2.900 1.000 1.000 peak 1337 spectrum 3 weight .10000E+01 volume .17156E-02 ppm1 4.410 ppm2 7.329 CV 1
ASSI { 1339}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 96 and name HN ))
3.400 1.400 1.400 peak 1339 spectrum 3 weight .10000E+01 volume .62432E-03 ppm1 8.123 ppm2 7.331 CV 1
ASSI { 1340}
( segid " " and resid 98 and name HG2%)
(( segid " " and resid 96 and name HN ))
3.300 1.400 1.400 peak 1340 spectrum 3 weight .10000E+01 volume .68900E-03 ppm1 .938 ppm2 7.329 CV 1
OR { 1340}
( segid " " and resid 98 and name HG1%)
(( segid " " and resid 96 and name HN ))
ASSI { 1341}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 96 and name HN ))
3.100 1.200 1.200 peak 1341 spectrum 3 weight .10000E+01 volume .11216E-02 ppm1 8.798 ppm2 7.329 CV 1
ASSI { 1342}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 97 and name HN ))
3.500 1.500 1.500 peak 1342 spectrum 3 weight .10000E+01 volume .56654E-03 ppm1 4.877 ppm2 8.123 CV 1
ASSI { 1343}
( segid " " and resid 96 and name HG2%)
(( segid " " and resid 97 and name HN ))
3.500 1.500 1.500 peak 1343 spectrum 3 weight .10000E+01 volume .51378E-03 ppm1 1.278 ppm2 8.124 CV 1
ASSI { 1345}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 98 and name HN ))
3.300 1.400 1.400 peak 1345 spectrum 3 weight .10000E+01 volume .73370E-03 ppm1 4.896 ppm2 8.797 CV 1
ASSI { 1346}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 98 and name HN ))
3.000 1.200 1.200 peak 1346 spectrum 3 weight .10000E+01 volume .12435E-02 ppm1 4.460 ppm2 8.798 CV 1
ASSI { 1347}
(( segid " " and resid 97 and name HB ))
(( segid " " and resid 98 and name HN ))
3.500 1.500 1.500 peak 1347 spectrum 3 weight .10000E+01 volume .53456E-03 ppm1 4.603 ppm2 8.796 CV 1
ASSI { 1348}
( segid " " and resid 97 and name HG2%)
(( segid " " and resid 98 and name HN ))
2.700 .900 .900 peak 1348 spectrum 3 weight .10000E+01 volume .27148E-02 ppm1 1.276 ppm2 8.800 CV 1
ASSI { 1349}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 98 and name HN ))
3.300 1.400 1.400 peak 1349 spectrum 3 weight .10000E+01 volume .70888E-03 ppm1 8.124 ppm2 8.797 CV 1
ASSI { 1350}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 98 and name HN ))
3.000 1.100 1.100 peak 1350 spectrum 3 weight .10000E+01 volume .13962E-02 ppm1 3.822 ppm2 8.797 CV 1
ASSI { 1351}
(( segid " " and resid 98 and name HB ))
(( segid " " and resid 98 and name HN ))
2.600 .900 .900 peak 1351 spectrum 3 weight .10000E+01 volume .29267E-02 ppm1 2.225 ppm2 8.797 CV 1
ASSI { 1352}
( segid " " and resid 98 and name HG1%)
(( segid " " and resid 98 and name HN ))
2.300 .700 .700 peak 1352 spectrum 3 weight .10000E+01 volume .68280E-02 ppm1 .938 ppm2 8.797 CV 1
OR { 1352}
( segid " " and resid 98 and name HG2%)
(( segid " " and resid 98 and name HN ))
ASSI { 1354}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 99 and name HN ))
2.600 .800 .800 peak 1354 spectrum 3 weight .10000E+01 volume .33595E-02 ppm1 3.822 ppm2 7.111 CV 1
ASSI { 1355}
(( segid " " and resid 98 and name HB ))
(( segid " " and resid 99 and name HN ))
3.300 1.400 1.400 peak 1355 spectrum 3 weight .10000E+01 volume .76218E-03 ppm1 2.221 ppm2 7.112 CV 1
ASSI { 1356}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 99 and name HN ))
2.900 1.100 1.100 peak 1356 spectrum 3 weight .10000E+01 volume .14752E-02 ppm1 4.768 ppm2 7.111 CV 1
ASSI { 1357}
( segid " " and resid 99 and name HG2%)
(( segid " " and resid 99 and name HN ))
2.500 .800 .800 peak 1357 spectrum 3 weight .10000E+01 volume .37476E-02 ppm1 1.391 ppm2 7.112 CV 1
ASSI { 1359}
(( segid " " and resid 101 and name HB2 ))
(( segid " " and resid 99 and name HN ))
2.800 1.000 1.000 peak 1359 spectrum 3 weight .10000E+01 volume .22073E-02 ppm1 2.151 ppm2 7.115 CV 1
ASSI { 1360}
(( segid " " and resid 102 and name HB ))
(( segid " " and resid 99 and name HN ))
3.300 1.400 1.400 peak 1360 spectrum 3 weight .10000E+01 volume .76478E-03 ppm1 1.762 ppm2 7.116 CV 1
ASSI { 1361}
( segid " " and resid 102 and name HD1%)
(( segid " " and resid 99 and name HN ))
2.500 .800 .800 peak 1361 spectrum 3 weight .10000E+01 volume .36788E-02 ppm1 1.130 ppm2 7.114 CV 1
ASSI { 1362}
( segid " " and resid 102 and name HG2%)
(( segid " " and resid 99 and name HN ))
2.800 1.000 1.000 peak 1362 spectrum 3 weight .10000E+01 volume .18167E-02 ppm1 1.048 ppm2 7.114 CV 1
ASSI { 1363}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 99 and name HN ))
3.300 1.400 1.400 peak 1363 spectrum 3 weight .10000E+01 volume .68862E-03 ppm1 7.732 ppm2 7.112 CV 1
ASSI { 1364}
( segid " " and resid 103 and name HG2%)
(( segid " " and resid 99 and name HN ))
2.900 1.100 1.100 peak 1364 spectrum 3 weight .10000E+01 volume .16154E-02 ppm1 1.000 ppm2 7.114 CV 1
ASSI { 1365}
( segid " " and resid 72 and name HD1%)
(( segid " " and resid 101 and name HN ))
3.400 1.400 1.400 peak 1365 spectrum 3 weight .10000E+01 volume .63249E-03 ppm1 .965 ppm2 8.071 CV 1
OR { 1365}
( segid " " and resid 72 and name HD2%)
(( segid " " and resid 101 and name HN ))
ASSI { 1366}
( segid " " and resid 99 and name HG2%)
(( segid " " and resid 101 and name HN ))
3.400 1.400 1.400 peak 1366 spectrum 3 weight .10000E+01 volume .62287E-03 ppm1 1.389 ppm2 8.070 CV 1
ASSI { 1367}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 101 and name HN ))
3.400 1.500 1.500 peak 1367 spectrum 3 weight .10000E+01 volume .61533E-03 ppm1 3.995 ppm2 8.070 CV 1
ASSI { 1368}
(( segid " " and resid 100 and name HD2 ))
(( segid " " and resid 101 and name HN ))
3.200 1.300 1.300 peak 1368 spectrum 3 weight .10000E+01 volume .87969E-03 ppm1 3.547 ppm2 8.072 CV 1
ASSI { 1369}
(( segid " " and resid 100 and name HD3 ))
(( segid " " and resid 101 and name HN ))
3.500 1.500 1.500 peak 1369 spectrum 3 weight .10000E+01 volume .54251E-03 ppm1 3.446 ppm2 8.072 CV 1
ASSI { 1370}
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 101 and name HN ))
2.900 1.000 1.000 peak 1370 spectrum 3 weight .10000E+01 volume .17675E-02 ppm1 4.135 ppm2 8.071 CV 1
ASSI { 1371}
(( segid " " and resid 101 and name HB2 ))
(( segid " " and resid 101 and name HN ))
2.500 .800 .800 peak 1371 spectrum 3 weight .10000E+01 volume .40270E-02 ppm1 2.151 ppm2 8.071 CV 1
ASSI { 1372}
(( segid " " and resid 101 and name HB3 ))
(( segid " " and resid 101 and name HN ))
2.800 1.000 1.000 peak 1372 spectrum 3 weight .10000E+01 volume .20595E-02 ppm1 2.026 ppm2 8.071 CV 1
ASSI { 1373}
(( segid " " and resid 101 and name HG2 ))
(( segid " " and resid 101 and name HN ))
3.600 1.600 1.600 peak 1373 spectrum 3 weight .10000E+01 volume .47434E-03 ppm1 2.573 ppm2 8.070 CV 1
ASSI { 1374}
(( segid " " and resid 101 and name HG3 ))
(( segid " " and resid 101 and name HN ))
3.500 1.500 1.500 peak 1374 spectrum 3 weight .10000E+01 volume .50927E-03 ppm1 2.499 ppm2 8.070 CV 1
ASSI { 1376}
(( segid " " and resid 102 and name HB ))
(( segid " " and resid 101 and name HN ))
3.100 1.200 1.200 peak 1376 spectrum 3 weight .10000E+01 volume .11427E-02 ppm1 1.767 ppm2 8.067 CV 1
ASSI { 1377}
( segid " " and resid 102 and name HD1%)
(( segid " " and resid 101 and name HN ))
3.200 1.300 1.300 peak 1377 spectrum 3 weight .10000E+01 volume .84949E-03 ppm1 1.130 ppm2 8.070 CV 1
ASSI { 1378}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 101 and name HN ))
3.200 1.300 1.300 peak 1378 spectrum 3 weight .10000E+01 volume .91155E-03 ppm1 7.728 ppm2 8.074 CV 1
ASSI { 1379}
( segid " " and resid 103 and name HG2%)
(( segid " " and resid 101 and name HN ))
3.400 1.500 1.500 peak 1379 spectrum 3 weight .10000E+01 volume .61642E-03 ppm1 .997 ppm2 8.070 CV 1
ASSI { 1380}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 101 and name HN ))
3.300 1.300 1.300 peak 1380 spectrum 3 weight .10000E+01 volume .78084E-03 ppm1 8.191 ppm2 8.072 CV 1
ASSI { 1385}
(( segid " " and resid 101 and name HG2 ))
(( segid " " and resid 101 and name HE21))
2.900 1.100 1.100 peak 1385 spectrum 3 weight .10000E+01 volume .16078E-02 ppm1 2.573 ppm2 7.438 CV 1
ASSI { 1386}
(( segid " " and resid 101 and name HG2 ))
(( segid " " and resid 101 and name HE22))
3.000 1.100 1.100 peak 1386 spectrum 3 weight .10000E+01 volume .13250E-02 ppm1 2.573 ppm2 6.822 CV 1
ASSI { 1387}
(( segid " " and resid 101 and name HG3 ))
(( segid " " and resid 101 and name HE21))
3.200 1.300 1.300 peak 1387 spectrum 3 weight .10000E+01 volume .84872E-03 ppm1 2.501 ppm2 7.438 CV 1
ASSI { 1388}
( segid " " and resid 99 and name HG2%)
(( segid " " and resid 102 and name HN ))
3.100 1.200 1.200 peak 1388 spectrum 3 weight .10000E+01 volume .11813E-02 ppm1 1.391 ppm2 7.726 CV 1
ASSI { 1390}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 102 and name HN ))
3.500 1.600 1.600 peak 1390 spectrum 3 weight .10000E+01 volume .50339E-03 ppm1 3.996 ppm2 7.721 CV 1
ASSI { 1391}
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 102 and name HN ))
3.200 1.300 1.300 peak 1391 spectrum 3 weight .10000E+01 volume .93341E-03 ppm1 4.133 ppm2 7.721 CV 1
ASSI { 1392}
(( segid " " and resid 101 and name HB2 ))
(( segid " " and resid 102 and name HN ))
2.500 .800 .800 peak 1392 spectrum 3 weight .10000E+01 volume .37904E-02 ppm1 2.152 ppm2 7.726 CV 1
ASSI { 1393}
(( segid " " and resid 101 and name HB3 ))
(( segid " " and resid 102 and name HN ))
2.900 1.100 1.100 peak 1393 spectrum 3 weight .10000E+01 volume .16264E-02 ppm1 2.025 ppm2 7.726 CV 1
ASSI { 1395}
(( segid " " and resid 102 and name HA ))
(( segid " " and resid 102 and name HN ))
2.800 1.000 1.000 peak 1395 spectrum 3 weight .10000E+01 volume .21031E-02 ppm1 3.841 ppm2 7.724 CV 1
ASSI { 1396}
(( segid " " and resid 102 and name HB ))
(( segid " " and resid 102 and name HN ))
2.900 1.100 1.100 peak 1396 spectrum 3 weight .10000E+01 volume .15751E-02 ppm1 1.767 ppm2 7.724 CV 1
ASSI { 1397}
( segid " " and resid 102 and name HD1%)
(( segid " " and resid 102 and name HN ))
3.000 1.100 1.100 peak 1397 spectrum 3 weight .10000E+01 volume .13748E-02 ppm1 1.129 ppm2 7.726 CV 1
ASSI { 1398}
(( segid " " and resid 102 and name HG13))
(( segid " " and resid 102 and name HN ))
3.000 1.100 1.100 peak 1398 spectrum 3 weight .10000E+01 volume .13850E-02 ppm1 1.348 ppm2 7.726 CV 1
OR { 1398}
(( segid " " and resid 102 and name HG12))
(( segid " " and resid 102 and name HN ))
ASSI { 1399}
( segid " " and resid 102 and name HG2%)
(( segid " " and resid 102 and name HN ))
2.900 1.100 1.100 peak 1399 spectrum 3 weight .10000E+01 volume .15870E-02 ppm1 1.046 ppm2 7.726 CV 1
ASSI { 1401}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 102 and name HN ))
3.100 1.200 1.200 peak 1401 spectrum 3 weight .10000E+01 volume .11843E-02 ppm1 8.190 ppm2 7.725 CV 1
ASSI { 1402}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 102 and name HN ))
3.700 1.700 1.700 peak 1402 spectrum 3 weight .10000E+01 volume .37302E-03 ppm1 8.605 ppm2 7.720 CV 1
ASSI { 1403}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 103 and name HN ))
3.200 1.300 1.300 peak 1403 spectrum 3 weight .10000E+01 volume .91810E-03 ppm1 3.995 ppm2 8.187 CV 1
ASSI { 1404}
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 103 and name HN ))
3.400 1.500 1.500 peak 1404 spectrum 3 weight .10000E+01 volume .60252E-03 ppm1 4.135 ppm2 8.181 CV 1
ASSI { 1405}
(( segid " " and resid 102 and name HA ))
(( segid " " and resid 103 and name HN ))
3.400 1.400 1.400 peak 1405 spectrum 3 weight .10000E+01 volume .66904E-03 ppm1 3.835 ppm2 8.183 CV 1
ASSI { 1406}
(( segid " " and resid 102 and name HB ))
(( segid " " and resid 103 and name HN ))
2.900 1.100 1.100 peak 1406 spectrum 3 weight .10000E+01 volume .16306E-02 ppm1 1.766 ppm2 8.187 CV 1
ASSI { 1407}
( segid " " and resid 102 and name HD1%)
(( segid " " and resid 103 and name HN ))
3.100 1.200 1.200 peak 1407 spectrum 3 weight .10000E+01 volume .10971E-02 ppm1 1.129 ppm2 8.187 CV 1
ASSI { 1409}
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 103 and name HN ))
3.100 1.200 1.200 peak 1409 spectrum 3 weight .10000E+01 volume .10284E-02 ppm1 3.771 ppm2 8.184 CV 1
ASSI { 1410}
(( segid " " and resid 103 and name HB ))
(( segid " " and resid 103 and name HN ))
2.400 .700 .700 peak 1410 spectrum 3 weight .10000E+01 volume .49845E-02 ppm1 2.176 ppm2 8.185 CV 1
ASSI { 1411}
( segid " " and resid 103 and name HD1%)
(( segid " " and resid 103 and name HN ))
3.200 1.300 1.300 peak 1411 spectrum 3 weight .10000E+01 volume .87899E-03 ppm1 .930 ppm2 8.187 CV 1
ASSI { 1412}
(( segid " " and resid 103 and name HG12))
(( segid " " and resid 103 and name HN ))
2.900 1.100 1.100 peak 1412 spectrum 3 weight .10000E+01 volume .16306E-02 ppm1 1.749 ppm2 8.187 CV 1
ASSI { 1413}
(( segid " " and resid 103 and name HG13))
(( segid " " and resid 103 and name HN ))
3.100 1.200 1.200 peak 1413 spectrum 3 weight .10000E+01 volume .11027E-02 ppm1 1.170 ppm2 8.187 CV 1
ASSI { 1414}
( segid " " and resid 103 and name HG2%)
(( segid " " and resid 103 and name HN ))
2.600 .900 .900 peak 1414 spectrum 3 weight .10000E+01 volume .29420E-02 ppm1 .998 ppm2 8.187 CV 1
ASSI { 1417}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 103 and name HN ))
3.600 1.600 1.600 peak 1417 spectrum 3 weight .10000E+01 volume .44774E-03 ppm1 8.472 ppm2 8.185 CV 1
ASSI { 1418}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 104 and name HN ))
3.200 1.300 1.300 peak 1418 spectrum 3 weight .10000E+01 volume .91358E-03 ppm1 3.996 ppm2 8.608 CV 1
ASSI { 1419}
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 104 and name HN ))
3.000 1.100 1.100 peak 1419 spectrum 3 weight .10000E+01 volume .13528E-02 ppm1 4.133 ppm2 8.608 CV 1
ASSI { 1420}
(( segid " " and resid 102 and name HA ))
(( segid " " and resid 104 and name HN ))
3.500 1.500 1.500 peak 1420 spectrum 3 weight .10000E+01 volume .54103E-03 ppm1 3.836 ppm2 8.608 CV 1
ASSI { 1421}
(( segid " " and resid 103 and name HB ))
(( segid " " and resid 104 and name HN ))
2.700 .900 .900 peak 1421 spectrum 3 weight .10000E+01 volume .23094E-02 ppm1 2.176 ppm2 8.610 CV 1
ASSI { 1422}
( segid " " and resid 103 and name HD1%)
(( segid " " and resid 104 and name HN ))
3.100 1.200 1.200 peak 1422 spectrum 3 weight .10000E+01 volume .10743E-02 ppm1 .931 ppm2 8.607 CV 1
ASSI { 1423}
(( segid " " and resid 103 and name HG12))
(( segid " " and resid 104 and name HN ))
3.300 1.400 1.400 peak 1423 spectrum 3 weight .10000E+01 volume .75840E-03 ppm1 1.749 ppm2 8.608 CV 1
ASSI { 1424}
(( segid " " and resid 103 and name HG13))
(( segid " " and resid 104 and name HN ))
3.600 1.600 1.600 peak 1424 spectrum 3 weight .10000E+01 volume .47070E-03 ppm1 1.170 ppm2 8.606 CV 1
ASSI { 1425}
( segid " " and resid 103 and name HG2%)
(( segid " " and resid 104 and name HN ))
2.900 1.100 1.100 peak 1425 spectrum 3 weight .10000E+01 volume .16087E-02 ppm1 .997 ppm2 8.607 CV 1
ASSI { 1426}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 104 and name HN ))
2.900 1.100 1.100 peak 1426 spectrum 3 weight .10000E+01 volume .15149E-02 ppm1 8.189 ppm2 8.607 CV 1
ASSI { 1427}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 104 and name HN ))
2.800 1.000 1.000 peak 1427 spectrum 3 weight .10000E+01 volume .19885E-02 ppm1 4.871 ppm2 8.608 CV 1
ASSI { 1428}
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 104 and name HN ))
2.700 .900 .900 peak 1428 spectrum 3 weight .10000E+01 volume .26554E-02 ppm1 2.902 ppm2 8.608 CV 1
ASSI { 1429}
(( segid " " and resid 104 and name HB3 ))
(( segid " " and resid 104 and name HN ))
2.600 .900 .900 peak 1429 spectrum 3 weight .10000E+01 volume .29143E-02 ppm1 2.867 ppm2 8.607 CV 1
ASSI { 1432}
( segid " " and resid 72 and name HD2%)
(( segid " " and resid 104 and name HD21))
3.200 1.300 1.300 peak 1432 spectrum 3 weight .10000E+01 volume .92104E-03 ppm1 .967 ppm2 7.346 CV 1
OR { 1432}
( segid " " and resid 72 and name HD1%)
(( segid " " and resid 104 and name HD21))
ASSI { 1433}
( segid " " and resid 72 and name HD2%)
(( segid " " and resid 104 and name HD22))
3.000 1.100 1.100 peak 1433 spectrum 3 weight .10000E+01 volume .13337E-02 ppm1 .967 ppm2 6.195 CV 1
OR { 1433}
( segid " " and resid 72 and name HD1%)
(( segid " " and resid 104 and name HD22))
ASSI { 1434}
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 104 and name HD21))
3.400 1.500 1.500 peak 1434 spectrum 3 weight .10000E+01 volume .58067E-03 ppm1 4.134 ppm2 7.343 CV 1
ASSI { 1435}
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 104 and name HD21))
3.100 1.200 1.200 peak 1435 spectrum 3 weight .10000E+01 volume .11226E-02 ppm1 2.902 ppm2 7.344 CV 1
ASSI { 1436}
(( segid " " and resid 104 and name HB3 ))
(( segid " " and resid 104 and name HD21))
3.000 1.100 1.100 peak 1436 spectrum 3 weight .10000E+01 volume .12780E-02 ppm1 2.865 ppm2 7.344 CV 1
ASSI { 1438}
(( segid " " and resid 104 and name HB3 ))
(( segid " " and resid 104 and name HD22))
3.000 1.100 1.100 peak 1438 spectrum 3 weight .10000E+01 volume .13693E-02 ppm1 2.867 ppm2 6.194 CV 1
ASSI { 1443}
(( segid " " and resid 101 and name HA ))
(( segid " " and resid 105 and name HN ))
2.500 .800 .800 peak 1443 spectrum 3 weight .10000E+01 volume .40647E-02 ppm1 4.137 ppm2 8.470 CV 1
ASSI { 1444}
(( segid " " and resid 102 and name HA ))
(( segid " " and resid 105 and name HN ))
3.300 1.400 1.400 peak 1444 spectrum 3 weight .10000E+01 volume .75616E-03 ppm1 3.840 ppm2 8.470 CV 1
ASSI { 1445}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 105 and name HN ))
3.200 1.300 1.300 peak 1445 spectrum 3 weight .10000E+01 volume .86765E-03 ppm1 4.872 ppm2 8.470 CV 1
ASSI { 1446}
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 105 and name HN ))
2.800 1.000 1.000 peak 1446 spectrum 3 weight .10000E+01 volume .21189E-02 ppm1 2.904 ppm2 8.470 CV 1
ASSI { 1447}
(( segid " " and resid 104 and name HB3 ))
(( segid " " and resid 105 and name HN ))
2.800 1.000 1.000 peak 1447 spectrum 3 weight .10000E+01 volume .21536E-02 ppm1 2.867 ppm2 8.470 CV 1
ASSI { 1448}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 105 and name HN ))
2.600 .800 .800 peak 1448 spectrum 3 weight .10000E+01 volume .31211E-02 ppm1 8.606 ppm2 8.469 CV 1
ASSI { 1449}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 105 and name HN ))
2.500 .800 .800 peak 1449 spectrum 3 weight .10000E+01 volume .41982E-02 ppm1 4.401 ppm2 8.470 CV 1
ASSI { 1450}
(( segid " " and resid 105 and name HB2 ))
(( segid " " and resid 105 and name HN ))
2.300 .600 .600 peak 1450 spectrum 3 weight .10000E+01 volume .70592E-02 ppm1 4.089 ppm2 8.470 CV 1
OR { 1450}
(( segid " " and resid 105 and name HB3 ))
(( segid " " and resid 105 and name HN ))
ASSI { 1454}
(( segid " " and resid 102 and name HA ))
(( segid " " and resid 106 and name HN ))
3.400 1.500 1.500 peak 1454 spectrum 3 weight .10000E+01 volume .60071E-03 ppm1 3.843 ppm2 8.372 CV 1
ASSI { 1455}
( segid " " and resid 102 and name HG2%)
(( segid " " and resid 106 and name HN ))
3.400 1.400 1.400 peak 1455 spectrum 3 weight .10000E+01 volume .66806E-03 ppm1 1.048 ppm2 8.376 CV 1
ASSI { 1456}
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 106 and name HN ))
3.600 1.600 1.600 peak 1456 spectrum 3 weight .10000E+01 volume .47240E-03 ppm1 3.772 ppm2 8.372 CV 1
ASSI { 1457}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 106 and name HN ))
3.400 1.500 1.500 peak 1457 spectrum 3 weight .10000E+01 volume .57956E-03 ppm1 8.613 ppm2 8.375 CV 1
ASSI { 1458}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 106 and name HN ))
3.200 1.300 1.300 peak 1458 spectrum 3 weight .10000E+01 volume .92327E-03 ppm1 4.400 ppm2 8.377 CV 1
ASSI { 1459}
(( segid " " and resid 105 and name HB3 ))
(( segid " " and resid 106 and name HN ))
2.500 .800 .800 peak 1459 spectrum 3 weight .10000E+01 volume .37980E-02 ppm1 4.087 ppm2 8.374 CV 1
OR { 1459}
(( segid " " and resid 105 and name HB2 ))
(( segid " " and resid 106 and name HN ))
ASSI { 1460}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 106 and name HN ))
2.600 .900 .900 peak 1460 spectrum 3 weight .10000E+01 volume .29578E-02 ppm1 8.471 ppm2 8.376 CV 1
ASSI { 1462}
(( segid " " and resid 106 and name HA ))
(( segid " " and resid 106 and name HN ))
2.400 .700 .700 peak 1462 spectrum 3 weight .10000E+01 volume .47146E-02 ppm1 4.110 ppm2 8.374 CV 1
ASSI { 1463}
(( segid " " and resid 106 and name HB2 ))
(( segid " " and resid 106 and name HN ))
2.700 .900 .900 peak 1463 spectrum 3 weight .10000E+01 volume .24008E-02 ppm1 2.098 ppm2 8.375 CV 1
ASSI { 1464}
(( segid " " and resid 106 and name HB3 ))
(( segid " " and resid 106 and name HN ))
2.700 .900 .900 peak 1464 spectrum 3 weight .10000E+01 volume .24218E-02 ppm1 1.876 ppm2 8.375 CV 1
ASSI { 1465}
(( segid " " and resid 106 and name HD2 ))
(( segid " " and resid 106 and name HN ))
3.300 1.400 1.400 peak 1465 spectrum 3 weight .10000E+01 volume .71242E-03 ppm1 1.717 ppm2 8.377 CV 1
OR { 1465}
(( segid " " and resid 106 and name HD3 ))
(( segid " " and resid 106 and name HN ))
ASSI { 1466}
(( segid " " and resid 106 and name HE3 ))
(( segid " " and resid 106 and name HN ))
3.500 1.600 1.600 peak 1466 spectrum 3 weight .10000E+01 volume .49320E-03 ppm1 2.944 ppm2 8.377 CV 1
OR { 1466}
(( segid " " and resid 106 and name HE2 ))
(( segid " " and resid 106 and name HN ))
ASSI { 1467}
(( segid " " and resid 106 and name HG3 ))
(( segid " " and resid 106 and name HN ))
3.100 1.200 1.200 peak 1467 spectrum 3 weight .10000E+01 volume .11608E-02 ppm1 1.426 ppm2 8.375 CV 1
OR { 1467}
(( segid " " and resid 106 and name HG2 ))
(( segid " " and resid 106 and name HN ))
ASSI { 1470}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 107 and name HN ))
3.400 1.500 1.500 peak 1470 spectrum 3 weight .10000E+01 volume .61989E-03 ppm1 2.407 ppm2 8.763 CV 1
ASSI { 1471}
(( segid " " and resid 103 and name HA ))
(( segid " " and resid 107 and name HN ))
3.800 1.800 1.800 peak 1471 spectrum 3 weight .10000E+01 volume .34408E-03 ppm1 3.774 ppm2 8.763 CV 1
ASSI { 1472}
( segid " " and resid 103 and name HG2%)
(( segid " " and resid 107 and name HN ))
3.300 1.300 1.300 peak 1472 spectrum 3 weight .10000E+01 volume .78996E-03 ppm1 .999 ppm2 8.763 CV 1
ASSI { 1473}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 107 and name HN ))
3.000 1.200 1.200 peak 1473 spectrum 3 weight .10000E+01 volume .12206E-02 ppm1 4.872 ppm2 8.763 CV 1
ASSI { 1474}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 107 and name HN ))
3.600 1.600 1.600 peak 1474 spectrum 3 weight .10000E+01 volume .44471E-03 ppm1 4.400 ppm2 8.764 CV 1
ASSI { 1475}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 107 and name HN ))
3.200 1.300 1.300 peak 1475 spectrum 3 weight .10000E+01 volume .87243E-03 ppm1 8.478 ppm2 8.762 CV 1
ASSI { 1476}
(( segid " " and resid 106 and name HA ))
(( segid " " and resid 107 and name HN ))
3.100 1.200 1.200 peak 1476 spectrum 3 weight .10000E+01 volume .10383E-02 ppm1 4.110 ppm2 8.763 CV 1
ASSI { 1477}
(( segid " " and resid 106 and name HB2 ))
(( segid " " and resid 107 and name HN ))
3.100 1.200 1.200 peak 1477 spectrum 3 weight .10000E+01 volume .10600E-02 ppm1 2.098 ppm2 8.763 CV 1
ASSI { 1478}
(( segid " " and resid 106 and name HB3 ))
(( segid " " and resid 107 and name HN ))
3.300 1.400 1.400 peak 1478 spectrum 3 weight .10000E+01 volume .71055E-03 ppm1 1.877 ppm2 8.764 CV 1
ASSI { 1479}
(( segid " " and resid 106 and name HD2 ))
(( segid " " and resid 107 and name HN ))
3.600 1.600 1.600 peak 1479 spectrum 3 weight .10000E+01 volume .44876E-03 ppm1 1.716 ppm2 8.763 CV 1
OR { 1479}
(( segid " " and resid 106 and name HD3 ))
(( segid " " and resid 107 and name HN ))
ASSI { 1480}
(( segid " " and resid 106 and name HG3 ))
(( segid " " and resid 107 and name HN ))
3.600 1.600 1.600 peak 1480 spectrum 3 weight .10000E+01 volume .45082E-03 ppm1 1.426 ppm2 8.764 CV 1
OR { 1480}
(( segid " " and resid 106 and name HG2 ))
(( segid " " and resid 107 and name HN ))
ASSI { 1481}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 107 and name HN ))
2.700 .900 .900 peak 1481 spectrum 3 weight .10000E+01 volume .23831E-02 ppm1 8.374 ppm2 8.762 CV 1
ASSI { 1482}
(( segid " " and resid 107 and name HA ))
(( segid " " and resid 107 and name HN ))
2.900 1.100 1.100 peak 1482 spectrum 3 weight .10000E+01 volume .15898E-02 ppm1 4.514 ppm2 8.763 CV 1
ASSI { 1483}
(( segid " " and resid 107 and name HB2 ))
(( segid " " and resid 107 and name HN ))
2.800 1.000 1.000 peak 1483 spectrum 3 weight .10000E+01 volume .19572E-02 ppm1 3.649 ppm2 8.763 CV 1
ASSI { 1484}
(( segid " " and resid 107 and name HB3 ))
(( segid " " and resid 107 and name HN ))
2.800 1.000 1.000 peak 1484 spectrum 3 weight .10000E+01 volume .18655E-02 ppm1 3.583 ppm2 8.763 CV 1
ASSI { 1487}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 107 and name HE1 ))
3.200 1.300 1.300 peak 1487 spectrum 3 weight .10000E+01 volume .95469E-03 ppm1 .983 ppm2 10.249 CV 1
ASSI { 1488}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 107 and name HE1 ))
3.600 1.600 1.600 peak 1488 spectrum 3 weight .10000E+01 volume .45120E-03 ppm1 .851 ppm2 10.248 CV 1
ASSI { 1489}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 107 and name HE1 ))
3.300 1.300 1.300 peak 1489 spectrum 3 weight .10000E+01 volume .77736E-03 ppm1 3.004 ppm2 10.249 CV 1
ASSI { 1490}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 107 and name HE1 ))
3.600 1.600 1.600 peak 1490 spectrum 3 weight .10000E+01 volume .43976E-03 ppm1 2.806 ppm2 10.248 CV 1
ASSI { 1491}
(( segid " " and resid 68 and name HD3 ))
(( segid " " and resid 107 and name HE1 ))
3.600 1.600 1.600 peak 1491 spectrum 3 weight .10000E+01 volume .43976E-03 ppm1 2.806 ppm2 10.248 CV 1
OR { 1491}
(( segid " " and resid 68 and name HD2 ))
(( segid " " and resid 107 and name HE1 ))
ASSI { 1492}
(( segid " " and resid 68 and name HE ))
(( segid " " and resid 107 and name HE1 ))
2.900 1.100 1.100 peak 1492 spectrum 3 weight .10000E+01 volume .15164E-02 ppm1 5.854 ppm2 10.248 CV 1
ASSI { 1493}
(( segid " " and resid 107 and name HA ))
(( segid " " and resid 107 and name HE1 ))
3.700 1.700 1.700 peak 1493 spectrum 3 weight .10000E+01 volume .36724E-03 ppm1 4.492 ppm2 10.251 CV 1
ASSI { 1494}
(( segid " " and resid 107 and name HB2 ))
(( segid " " and resid 107 and name HE1 ))
3.200 1.300 1.300 peak 1494 spectrum 3 weight .10000E+01 volume .95955E-03 ppm1 3.651 ppm2 10.248 CV 1
ASSI { 1495}
(( segid " " and resid 107 and name HB3 ))
(( segid " " and resid 107 and name HE1 ))
3.400 1.400 1.400 peak 1495 spectrum 3 weight .10000E+01 volume .67713E-03 ppm1 3.583 ppm2 10.248 CV 1
ASSI { 1496}
(( segid " " and resid 107 and name HD1 ))
(( segid " " and resid 107 and name HE1 ))
2.000 .500 .500 peak 1496 spectrum 3 weight .10000E+01 volume .14611E-01 ppm1 7.296 ppm2 10.249 CV 1
ASSI { 1497}
(( segid " " and resid 107 and name HZ2 ))
(( segid " " and resid 107 and name HE1 ))
2.300 .700 .700 peak 1497 spectrum 3 weight .10000E+01 volume .62841E-02 ppm1 7.452 ppm2 10.249 CV 1
ASSI { 1498}
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 107 and name HE1 ))
3.300 1.400 1.400 peak 1498 spectrum 3 weight .10000E+01 volume .76601E-03 ppm1 3.950 ppm2 10.253 CV 1
ASSI { 1499}
(( segid " " and resid 111 and name HB3 ))
(( segid " " and resid 107 and name HE1 ))
3.200 1.300 1.300 peak 1499 spectrum 3 weight .10000E+01 volume .87371E-03 ppm1 2.012 ppm2 10.249 CV 1
OR { 1499}
(( segid " " and resid 111 and name HB2 ))
(( segid " " and resid 107 and name HE1 ))
ASSI { 1500}
(( segid " " and resid 111 and name HE21))
(( segid " " and resid 107 and name HE1 ))
3.200 1.300 1.300 peak 1500 spectrum 3 weight .10000E+01 volume .83154E-03 ppm1 6.000 ppm2 10.248 CV 1
ASSI { 1502}
(( segid " " and resid 111 and name HG2 ))
(( segid " " and resid 107 and name HE1 ))
2.700 .900 .900 peak 1502 spectrum 3 weight .10000E+01 volume .25254E-02 ppm1 1.909 ppm2 10.249 CV 1
ASSI { 1503}
(( segid " " and resid 111 and name HG3 ))
(( segid " " and resid 107 and name HE1 ))
2.900 1.000 1.000 peak 1503 spectrum 3 weight .10000E+01 volume .17112E-02 ppm1 1.629 ppm2 10.249 CV 1
ASSI { 1504}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 108 and name HN ))
3.200 1.300 1.300 peak 1504 spectrum 3 weight .10000E+01 volume .82959E-03 ppm1 4.871 ppm2 8.191 CV 1
ASSI { 1505}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 108 and name HN ))
3.100 1.200 1.200 peak 1505 spectrum 3 weight .10000E+01 volume .11601E-02 ppm1 4.399 ppm2 8.192 CV 1
ASSI { 1506}
(( segid " " and resid 106 and name HA ))
(( segid " " and resid 108 and name HN ))
3.000 1.200 1.200 peak 1506 spectrum 3 weight .10000E+01 volume .12093E-02 ppm1 4.108 ppm2 8.190 CV 1
ASSI { 1507}
(( segid " " and resid 107 and name HA ))
(( segid " " and resid 108 and name HN ))
3.300 1.400 1.400 peak 1507 spectrum 3 weight .10000E+01 volume .69688E-03 ppm1 4.513 ppm2 8.192 CV 1
ASSI { 1508}
(( segid " " and resid 107 and name HB2 ))
(( segid " " and resid 108 and name HN ))
3.100 1.200 1.200 peak 1508 spectrum 3 weight .10000E+01 volume .11756E-02 ppm1 3.650 ppm2 8.188 CV 1
ASSI { 1509}
(( segid " " and resid 107 and name HB3 ))
(( segid " " and resid 108 and name HN ))
3.000 1.100 1.100 peak 1509 spectrum 3 weight .10000E+01 volume .14065E-02 ppm1 3.584 ppm2 8.188 CV 1
ASSI { 1510}
(( segid " " and resid 107 and name HD1 ))
(( segid " " and resid 108 and name HN ))
3.400 1.400 1.400 peak 1510 spectrum 3 weight .10000E+01 volume .67716E-03 ppm1 7.291 ppm2 8.190 CV 1
ASSI { 1511}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 108 and name HN ))
2.800 1.000 1.000 peak 1511 spectrum 3 weight .10000E+01 volume .19481E-02 ppm1 8.767 ppm2 8.190 CV 1
ASSI { 1512}
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 108 and name HN ))
2.600 .900 .900 peak 1512 spectrum 3 weight .10000E+01 volume .30739E-02 ppm1 3.948 ppm2 8.192 CV 1
ASSI { 1513}
(( segid " " and resid 108 and name HB2 ))
(( segid " " and resid 108 and name HN ))
2.500 .800 .800 peak 1513 spectrum 3 weight .10000E+01 volume .43379E-02 ppm1 2.268 ppm2 8.189 CV 1
ASSI { 1514}
(( segid " " and resid 108 and name HB3 ))
(( segid " " and resid 108 and name HN ))
2.500 .800 .800 peak 1514 spectrum 3 weight .10000E+01 volume .44053E-02 ppm1 2.175 ppm2 8.189 CV 1
ASSI { 1515}
(( segid " " and resid 108 and name HG2 ))
(( segid " " and resid 108 and name HN ))
2.900 1.000 1.000 peak 1515 spectrum 3 weight .10000E+01 volume .17708E-02 ppm1 2.549 ppm2 8.189 CV 1
ASSI { 1516}
(( segid " " and resid 108 and name HG3 ))
(( segid " " and resid 108 and name HN ))
2.900 1.000 1.000 peak 1516 spectrum 3 weight .10000E+01 volume .16909E-02 ppm1 2.396 ppm2 8.189 CV 1
ASSI { 1518}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 108 and name HN ))
2.700 .900 .900 peak 1518 spectrum 3 weight .10000E+01 volume .26914E-02 ppm1 7.557 ppm2 8.191 CV 1
ASSI { 1519}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 109 and name HN ))
3.800 1.800 1.800 peak 1519 spectrum 3 weight .10000E+01 volume .33392E-03 ppm1 4.398 ppm2 7.562 CV 1
ASSI { 1520}
(( segid " " and resid 106 and name HA ))
(( segid " " and resid 109 and name HN ))
2.600 .900 .900 peak 1520 spectrum 3 weight .10000E+01 volume .30146E-02 ppm1 4.117 ppm2 7.560 CV 1
ASSI { 1521}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 109 and name HN ))
3.500 1.600 1.600 peak 1521 spectrum 3 weight .10000E+01 volume .49357E-03 ppm1 8.765 ppm2 7.560 CV 1
ASSI { 1522}
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 109 and name HN ))
3.100 1.200 1.200 peak 1522 spectrum 3 weight .10000E+01 volume .10906E-02 ppm1 3.948 ppm2 7.561 CV 1
ASSI { 1523}
(( segid " " and resid 108 and name HB2 ))
(( segid " " and resid 109 and name HN ))
3.000 1.100 1.100 peak 1523 spectrum 3 weight .10000E+01 volume .14262E-02 ppm1 2.267 ppm2 7.561 CV 1
ASSI { 1524}
(( segid " " and resid 108 and name HB3 ))
(( segid " " and resid 109 and name HN ))
3.000 1.200 1.200 peak 1524 spectrum 3 weight .10000E+01 volume .12364E-02 ppm1 2.175 ppm2 7.561 CV 1
ASSI { 1526}
(( segid " " and resid 109 and name HA ))
(( segid " " and resid 109 and name HN ))
2.600 .800 .800 peak 1526 spectrum 3 weight .10000E+01 volume .32850E-02 ppm1 4.088 ppm2 7.561 CV 1
ASSI { 1527}
(( segid " " and resid 109 and name HB2 ))
(( segid " " and resid 109 and name HN ))
2.400 .700 .700 peak 1527 spectrum 3 weight .10000E+01 volume .47047E-02 ppm1 2.082 ppm2 7.560 CV 1
OR { 1527}
(( segid " " and resid 109 and name HB3 ))
(( segid " " and resid 109 and name HN ))
ASSI { 1528}
(( segid " " and resid 109 and name HD3 ))
(( segid " " and resid 109 and name HN ))
3.300 1.400 1.400 peak 1528 spectrum 3 weight .10000E+01 volume .72922E-03 ppm1 1.725 ppm2 7.560 CV 1
OR { 1528}
(( segid " " and resid 109 and name HD2 ))
(( segid " " and resid 109 and name HN ))
ASSI { 1529}
(( segid " " and resid 109 and name HG2 ))
(( segid " " and resid 109 and name HN ))
3.100 1.200 1.200 peak 1529 spectrum 3 weight .10000E+01 volume .10149E-02 ppm1 1.597 ppm2 7.560 CV 1
ASSI { 1530}
(( segid " " and resid 109 and name HG3 ))
(( segid " " and resid 109 and name HN ))
3.500 1.500 1.500 peak 1530 spectrum 3 weight .10000E+01 volume .54083E-03 ppm1 1.449 ppm2 7.560 CV 1
ASSI { 1533}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 109 and name HN ))
3.400 1.400 1.400 peak 1533 spectrum 3 weight .10000E+01 volume .66699E-03 ppm1 7.909 ppm2 7.560 CV 1
ASSI { 1534}
( segid " " and resid 32 and name HE% )
(( segid " " and resid 110 and name HN ))
2.600 .800 .800 peak 1534 spectrum 3 weight .10000E+01 volume .32739E-02 ppm1 2.112 ppm2 8.375 CV 1
ASSI { 1535}
(( segid " " and resid 32 and name HG3 ))
(( segid " " and resid 110 and name HN ))
3.600 1.600 1.600 peak 1535 spectrum 3 weight .10000E+01 volume .46290E-03 ppm1 2.728 ppm2 8.376 CV 1
OR { 1535}
(( segid " " and resid 32 and name HG2 ))
(( segid " " and resid 110 and name HN ))
ASSI { 1536}
(( segid " " and resid 106 and name HA ))
(( segid " " and resid 110 and name HN ))
3.000 1.100 1.100 peak 1536 spectrum 3 weight .10000E+01 volume .13004E-02 ppm1 4.119 ppm2 8.377 CV 1
ASSI { 1537}
(( segid " " and resid 107 and name HA ))
(( segid " " and resid 110 and name HN ))
3.100 1.200 1.200 peak 1537 spectrum 3 weight .10000E+01 volume .10468E-02 ppm1 4.514 ppm2 8.377 CV 1
ASSI { 1538}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 110 and name HN ))
3.600 1.600 1.600 peak 1538 spectrum 3 weight .10000E+01 volume .44582E-03 ppm1 8.188 ppm2 8.376 CV 1
ASSI { 1539}
(( segid " " and resid 109 and name HA ))
(( segid " " and resid 110 and name HN ))
3.000 1.100 1.100 peak 1539 spectrum 3 weight .10000E+01 volume .12924E-02 ppm1 4.088 ppm2 8.377 CV 1
ASSI { 1540}
(( segid " " and resid 109 and name HB2 ))
(( segid " " and resid 110 and name HN ))
2.600 .900 .900 peak 1540 spectrum 3 weight .10000E+01 volume .29947E-02 ppm1 2.082 ppm2 8.375 CV 1
OR { 1540}
(( segid " " and resid 109 and name HB3 ))
(( segid " " and resid 110 and name HN ))
ASSI { 1541}
(( segid " " and resid 109 and name HG2 ))
(( segid " " and resid 110 and name HN ))
3.200 1.300 1.300 peak 1541 spectrum 3 weight .10000E+01 volume .82315E-03 ppm1 1.598 ppm2 8.376 CV 1
ASSI { 1542}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 110 and name HN ))
2.700 .900 .900 peak 1542 spectrum 3 weight .10000E+01 volume .23154E-02 ppm1 7.561 ppm2 8.378 CV 1
ASSI { 1543}
(( segid " " and resid 110 and name HA ))
(( segid " " and resid 110 and name HN ))
2.700 .900 .900 peak 1543 spectrum 3 weight .10000E+01 volume .23686E-02 ppm1 3.236 ppm2 8.375 CV 1
ASSI { 1544}
(( segid " " and resid 110 and name HB ))
(( segid " " and resid 110 and name HN ))
2.500 .800 .800 peak 1544 spectrum 3 weight .10000E+01 volume .36019E-02 ppm1 2.151 ppm2 8.375 CV 1
ASSI { 1545}
( segid " " and resid 110 and name HG1%)
(( segid " " and resid 110 and name HN ))
2.600 .800 .800 peak 1545 spectrum 3 weight .10000E+01 volume .34468E-02 ppm1 .949 ppm2 8.373 CV 1
ASSI { 1546}
( segid " " and resid 110 and name HG2%)
(( segid " " and resid 110 and name HN ))
2.800 1.000 1.000 peak 1546 spectrum 3 weight .10000E+01 volume .19145E-02 ppm1 .661 ppm2 8.373 CV 1
ASSI { 1548}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 110 and name HN ))
2.800 1.000 1.000 peak 1548 spectrum 3 weight .10000E+01 volume .18300E-02 ppm1 7.902 ppm2 8.376 CV 1
ASSI { 1549}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 110 and name HN ))
3.000 1.100 1.100 peak 1549 spectrum 3 weight .10000E+01 volume .12455E-02 ppm1 7.876 ppm2 8.376 CV 1
ASSI { 1550}
( segid " " and resid 113 and name HD2%)
(( segid " " and resid 110 and name HN ))
2.900 1.100 1.100 peak 1550 spectrum 3 weight .10000E+01 volume .15667E-02 ppm1 .815 ppm2 8.376 CV 1
OR { 1550}
( segid " " and resid 113 and name HD1%)
(( segid " " and resid 110 and name HN ))
ASSI { 1551}
(( segid " " and resid 107 and name HA ))
(( segid " " and resid 111 and name HN ))
3.600 1.600 1.600 peak 1551 spectrum 3 weight .10000E+01 volume .47567E-03 ppm1 4.516 ppm2 7.907 CV 1
ASSI { 1552}
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 111 and name HN ))
3.200 1.200 1.200 peak 1552 spectrum 3 weight .10000E+01 volume .98917E-03 ppm1 3.949 ppm2 7.906 CV 1
ASSI { 1554}
(( segid " " and resid 110 and name HA ))
(( segid " " and resid 111 and name HN ))
3.500 1.500 1.500 peak 1554 spectrum 3 weight .10000E+01 volume .51850E-03 ppm1 3.234 ppm2 7.911 CV 1
ASSI { 1555}
(( segid " " and resid 110 and name HB ))
(( segid " " and resid 111 and name HN ))
2.800 1.000 1.000 peak 1555 spectrum 3 weight .10000E+01 volume .18978E-02 ppm1 2.153 ppm2 7.909 CV 1
ASSI { 1556}
( segid " " and resid 110 and name HG1%)
(( segid " " and resid 111 and name HN ))
3.100 1.200 1.200 peak 1556 spectrum 3 weight .10000E+01 volume .11421E-02 ppm1 .951 ppm2 7.909 CV 1
ASSI { 1557}
( segid " " and resid 110 and name HG2%)
(( segid " " and resid 111 and name HN ))
3.100 1.200 1.200 peak 1557 spectrum 3 weight .10000E+01 volume .10098E-02 ppm1 .660 ppm2 7.909 CV 1
ASSI { 1559}
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 111 and name HN ))
2.800 1.000 1.000 peak 1559 spectrum 3 weight .10000E+01 volume .18214E-02 ppm1 3.719 ppm2 7.909 CV 1
ASSI { 1560}
(( segid " " and resid 111 and name HB2 ))
(( segid " " and resid 111 and name HN ))
2.700 .900 .900 peak 1560 spectrum 3 weight .10000E+01 volume .24476E-02 ppm1 2.012 ppm2 7.909 CV 1
OR { 1560}
(( segid " " and resid 111 and name HB3 ))
(( segid " " and resid 111 and name HN ))
ASSI { 1561}
(( segid " " and resid 111 and name HG2 ))
(( segid " " and resid 111 and name HN ))
2.800 1.000 1.000 peak 1561 spectrum 3 weight .10000E+01 volume .21218E-02 ppm1 1.923 ppm2 7.910 CV 1
ASSI { 1562}
(( segid " " and resid 111 and name HG3 ))
(( segid " " and resid 111 and name HN ))
2.900 1.000 1.000 peak 1562 spectrum 3 weight .10000E+01 volume .17611E-02 ppm1 1.621 ppm2 7.909 CV 1
ASSI { 1566}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 111 and name HE21))
3.100 1.200 1.200 peak 1566 spectrum 3 weight .10000E+01 volume .11149E-02 ppm1 .982 ppm2 5.985 CV 1
ASSI { 1567}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 111 and name HE22))
3.500 1.500 1.500 peak 1567 spectrum 3 weight .10000E+01 volume .54132E-03 ppm1 .977 ppm2 5.628 CV 1
ASSI { 1568}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 111 and name HE21))
3.400 1.400 1.400 peak 1568 spectrum 3 weight .10000E+01 volume .62990E-03 ppm1 .847 ppm2 5.985 CV 1
ASSI { 1569}
( segid " " and resid 61 and name HD2%)
(( segid " " and resid 111 and name HE22))
3.500 1.600 1.600 peak 1569 spectrum 3 weight .10000E+01 volume .48595E-03 ppm1 .845 ppm2 5.625 CV 1
ASSI { 1570}
(( segid " " and resid 61 and name HG ))
(( segid " " and resid 111 and name HE21))
3.600 1.600 1.600 peak 1570 spectrum 3 weight .10000E+01 volume .45294E-03 ppm1 2.175 ppm2 5.986 CV 1
ASSI { 1571}
(( segid " " and resid 61 and name HG ))
(( segid " " and resid 111 and name HE22))
3.500 1.600 1.600 peak 1571 spectrum 3 weight .10000E+01 volume .48530E-03 ppm1 2.175 ppm2 5.626 CV 1
ASSI { 1572}
(( segid " " and resid 107 and name HZ2 ))
(( segid " " and resid 111 and name HE21))
3.000 1.100 1.100 peak 1572 spectrum 3 weight .10000E+01 volume .13274E-02 ppm1 7.453 ppm2 5.988 CV 1
ASSI { 1574}
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 111 and name HE21))
3.600 1.600 1.600 peak 1574 spectrum 3 weight .10000E+01 volume .44720E-03 ppm1 3.703 ppm2 5.982 CV 1
ASSI { 1575}
(( segid " " and resid 111 and name HB3 ))
(( segid " " and resid 111 and name HE21))
3.600 1.700 1.700 peak 1575 spectrum 3 weight .10000E+01 volume .41176E-03 ppm1 2.011 ppm2 5.983 CV 1
OR { 1575}
(( segid " " and resid 111 and name HB2 ))
(( segid " " and resid 111 and name HE21))
ASSI { 1576}
(( segid " " and resid 111 and name HB3 ))
(( segid " " and resid 111 and name HE22))
3.500 1.500 1.500 peak 1576 spectrum 3 weight .10000E+01 volume .56000E-03 ppm1 2.011 ppm2 5.624 CV 1
OR { 1576}
(( segid " " and resid 111 and name HB2 ))
(( segid " " and resid 111 and name HE22))
ASSI { 1579}
(( segid " " and resid 111 and name HE22))
(( segid " " and resid 111 and name HE21))
1.800 .400 .400 peak 1579 spectrum 3 weight .10000E+01 volume .27895E-01 ppm1 5.631 ppm2 5.982 CV 1
ASSI { 1581}
(( segid " " and resid 111 and name HG2 ))
(( segid " " and resid 111 and name HE21))
3.500 1.500 1.500 peak 1581 spectrum 3 weight .10000E+01 volume .51490E-03 ppm1 1.924 ppm2 5.983 CV 1
ASSI { 1582}
(( segid " " and resid 111 and name HG2 ))
(( segid " " and resid 111 and name HE22))
3.200 1.300 1.300 peak 1582 spectrum 3 weight .10000E+01 volume .84089E-03 ppm1 1.923 ppm2 5.624 CV 1
ASSI { 1583}
(( segid " " and resid 111 and name HG3 ))
(( segid " " and resid 111 and name HE21))
3.000 1.100 1.100 peak 1583 spectrum 3 weight .10000E+01 volume .14577E-02 ppm1 1.623 ppm2 5.982 CV 1
ASSI { 1584}
(( segid " " and resid 111 and name HG3 ))
(( segid " " and resid 111 and name HE22))
3.000 1.100 1.100 peak 1584 spectrum 3 weight .10000E+01 volume .13184E-02 ppm1 1.622 ppm2 5.624 CV 1
ASSI { 1585}
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 112 and name HN ))
3.300 1.400 1.400 peak 1585 spectrum 3 weight .10000E+01 volume .70539E-03 ppm1 3.946 ppm2 7.877 CV 1
ASSI { 1586}
(( segid " " and resid 109 and name HA ))
(( segid " " and resid 112 and name HN ))
3.000 1.100 1.100 peak 1586 spectrum 3 weight .10000E+01 volume .13598E-02 ppm1 4.083 ppm2 7.876 CV 1
ASSI { 1588}
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 112 and name HN ))
3.300 1.400 1.400 peak 1588 spectrum 3 weight .10000E+01 volume .75848E-03 ppm1 3.718 ppm2 7.877 CV 1
ASSI { 1589}
(( segid " " and resid 111 and name HB2 ))
(( segid " " and resid 112 and name HN ))
2.700 .900 .900 peak 1589 spectrum 3 weight .10000E+01 volume .22706E-02 ppm1 2.008 ppm2 7.875 CV 1
OR { 1589}
(( segid " " and resid 111 and name HB3 ))
(( segid " " and resid 112 and name HN ))
ASSI { 1590}
(( segid " " and resid 111 and name HG2 ))
(( segid " " and resid 112 and name HN ))
3.100 1.200 1.200 peak 1590 spectrum 3 weight .10000E+01 volume .11341E-02 ppm1 1.921 ppm2 7.875 CV 1
ASSI { 1591}
(( segid " " and resid 111 and name HG3 ))
(( segid " " and resid 112 and name HN ))
3.300 1.300 1.300 peak 1591 spectrum 3 weight .10000E+01 volume .79489E-03 ppm1 1.621 ppm2 7.875 CV 1
ASSI { 1592}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 112 and name HN ))
2.400 .700 .700 peak 1592 spectrum 3 weight .10000E+01 volume .56471E-02 ppm1 7.906 ppm2 7.875 CV 1
ASSI { 1593}
(( segid " " and resid 112 and name HA ))
(( segid " " and resid 112 and name HN ))
2.600 .800 .800 peak 1593 spectrum 3 weight .10000E+01 volume .34570E-02 ppm1 4.168 ppm2 7.876 CV 1
ASSI { 1594}
(( segid " " and resid 112 and name HB2 ))
(( segid " " and resid 112 and name HN ))
2.600 .900 .900 peak 1594 spectrum 3 weight .10000E+01 volume .29873E-02 ppm1 2.266 ppm2 7.876 CV 1
ASSI { 1595}
(( segid " " and resid 112 and name HB3 ))
(( segid " " and resid 112 and name HN ))
2.600 .800 .800 peak 1595 spectrum 3 weight .10000E+01 volume .32589E-02 ppm1 2.152 ppm2 7.876 CV 1
ASSI { 1596}
(( segid " " and resid 112 and name HG2 ))
(( segid " " and resid 112 and name HN ))
2.700 .900 .900 peak 1596 spectrum 3 weight .10000E+01 volume .26525E-02 ppm1 2.660 ppm2 7.871 CV 1
ASSI { 1597}
(( segid " " and resid 112 and name HG3 ))
(( segid " " and resid 112 and name HN ))
2.700 .900 .900 peak 1597 spectrum 3 weight .10000E+01 volume .22501E-02 ppm1 2.429 ppm2 7.871 CV 1
ASSI { 1599}
( segid " " and resid 113 and name HD2%)
(( segid " " and resid 112 and name HN ))
3.300 1.300 1.300 peak 1599 spectrum 3 weight .10000E+01 volume .80395E-03 ppm1 .816 ppm2 7.875 CV 1
OR { 1599}
( segid " " and resid 113 and name HD1%)
(( segid " " and resid 112 and name HN ))
ASSI { 1600}
(( segid " " and resid 113 and name HG ))
(( segid " " and resid 112 and name HN ))
3.600 1.600 1.600 peak 1600 spectrum 3 weight .10000E+01 volume .44120E-03 ppm1 1.361 ppm2 7.873 CV 1
ASSI { 1601}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 112 and name HN ))
2.700 .900 .900 peak 1601 spectrum 3 weight .10000E+01 volume .22786E-02 ppm1 8.035 ppm2 7.875 CV 1
ASSI { 1602}
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 112 and name HN ))
2.900 1.000 1.000 peak 1602 spectrum 3 weight .10000E+01 volume .16464E-02 ppm1 7.828 ppm2 7.875 CV 1
ASSI { 1603}
(( segid " " and resid 112 and name HB2 ))
(( segid " " and resid 112 and name HE21))
3.500 1.600 1.600 peak 1603 spectrum 3 weight .10000E+01 volume .49223E-03 ppm1 2.266 ppm2 7.532 CV 1
ASSI { 1604}
(( segid " " and resid 112 and name HB2 ))
(( segid " " and resid 112 and name HE22))
3.600 1.600 1.600 peak 1604 spectrum 3 weight .10000E+01 volume .48134E-03 ppm1 2.267 ppm2 6.824 CV 1
ASSI { 1605}
(( segid " " and resid 112 and name HB3 ))
(( segid " " and resid 112 and name HE21))
3.400 1.400 1.400 peak 1605 spectrum 3 weight .10000E+01 volume .65654E-03 ppm1 2.152 ppm2 7.532 CV 1
ASSI { 1606}
(( segid " " and resid 112 and name HB3 ))
(( segid " " and resid 112 and name HE22))
3.700 1.700 1.700 peak 1606 spectrum 3 weight .10000E+01 volume .40948E-03 ppm1 2.150 ppm2 6.823 CV 1
ASSI { 1611}
(( segid " " and resid 112 and name HG2 ))
(( segid " " and resid 112 and name HE21))
2.900 1.000 1.000 peak 1611 spectrum 3 weight .10000E+01 volume .16484E-02 ppm1 2.661 ppm2 7.531 CV 1
ASSI { 1612}
(( segid " " and resid 112 and name HG2 ))
(( segid " " and resid 112 and name HE22))
3.100 1.200 1.200 peak 1612 spectrum 3 weight .10000E+01 volume .10476E-02 ppm1 2.660 ppm2 6.828 CV 1
ASSI { 1613}
(( segid " " and resid 112 and name HG3 ))
(( segid " " and resid 112 and name HE21))
3.100 1.200 1.200 peak 1613 spectrum 3 weight .10000E+01 volume .11304E-02 ppm1 2.429 ppm2 7.533 CV 1
ASSI { 1614}
(( segid " " and resid 112 and name HG3 ))
(( segid " " and resid 112 and name HE22))
3.500 1.500 1.500 peak 1614 spectrum 3 weight .10000E+01 volume .55182E-03 ppm1 2.430 ppm2 6.824 CV 1
ASSI { 1615}
( segid " " and resid 35 and name HD2%)
(( segid " " and resid 113 and name HN ))
2.900 1.000 1.000 peak 1615 spectrum 3 weight .10000E+01 volume .16742E-02 ppm1 .697 ppm2 8.037 CV 1
ASSI { 1616}
(( segid " " and resid 109 and name HA ))
(( segid " " and resid 113 and name HN ))
3.800 1.800 1.800 peak 1616 spectrum 3 weight .10000E+01 volume .34212E-03 ppm1 4.084 ppm2 8.033 CV 1
ASSI { 1617}
(( segid " " and resid 110 and name HA ))
(( segid " " and resid 113 and name HN ))
3.200 1.300 1.300 peak 1617 spectrum 3 weight .10000E+01 volume .90749E-03 ppm1 3.234 ppm2 8.038 CV 1
ASSI { 1618}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 113 and name HN ))
3.000 1.100 1.100 peak 1618 spectrum 3 weight .10000E+01 volume .14239E-02 ppm1 7.907 ppm2 8.033 CV 1
ASSI { 1619}
(( segid " " and resid 112 and name HB2 ))
(( segid " " and resid 113 and name HN ))
3.200 1.300 1.300 peak 1619 spectrum 3 weight .10000E+01 volume .83501E-03 ppm1 2.265 ppm2 8.034 CV 1
ASSI { 1620}
(( segid " " and resid 112 and name HB3 ))
(( segid " " and resid 113 and name HN ))
3.100 1.200 1.200 peak 1620 spectrum 3 weight .10000E+01 volume .11218E-02 ppm1 2.151 ppm2 8.034 CV 1
ASSI { 1621}
(( segid " " and resid 112 and name HG3 ))
(( segid " " and resid 113 and name HN ))
3.400 1.400 1.400 peak 1621 spectrum 3 weight .10000E+01 volume .68190E-03 ppm1 2.435 ppm2 8.034 CV 1
ASSI { 1623}
(( segid " " and resid 113 and name HB2 ))
(( segid " " and resid 113 and name HN ))
3.000 1.100 1.100 peak 1623 spectrum 3 weight .10000E+01 volume .13049E-02 ppm1 2.083 ppm2 8.034 CV 1
ASSI { 1624}
(( segid " " and resid 113 and name HB3 ))
(( segid " " and resid 113 and name HN ))
2.700 .900 .900 peak 1624 spectrum 3 weight .10000E+01 volume .23426E-02 ppm1 1.969 ppm2 8.034 CV 1
ASSI { 1625}
( segid " " and resid 113 and name HD2%)
(( segid " " and resid 113 and name HN ))
2.600 .800 .800 peak 1625 spectrum 3 weight .10000E+01 volume .31430E-02 ppm1 .816 ppm2 8.037 CV 1
OR { 1625}
( segid " " and resid 113 and name HD1%)
(( segid " " and resid 113 and name HN ))
ASSI { 1626}
(( segid " " and resid 113 and name HG ))
(( segid " " and resid 113 and name HN ))
3.000 1.100 1.100 peak 1626 spectrum 3 weight .10000E+01 volume .13220E-02 ppm1 1.368 ppm2 8.037 CV 1
ASSI { 1629}
( segid " " and resid 35 and name HD2%)
(( segid " " and resid 114 and name HN ))
3.300 1.400 1.400 peak 1629 spectrum 3 weight .10000E+01 volume .76111E-03 ppm1 .696 ppm2 7.827 CV 1
ASSI { 1630}
(( segid " " and resid 110 and name HA ))
(( segid " " and resid 114 and name HN ))
3.700 1.700 1.700 peak 1630 spectrum 3 weight .10000E+01 volume .36774E-03 ppm1 3.234 ppm2 7.824 CV 1
ASSI { 1631}
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 114 and name HN ))
3.100 1.200 1.200 peak 1631 spectrum 3 weight .10000E+01 volume .10159E-02 ppm1 3.707 ppm2 7.829 CV 1
ASSI { 1632}
(( segid " " and resid 113 and name HB2 ))
(( segid " " and resid 114 and name HN ))
3.000 1.200 1.200 peak 1632 spectrum 3 weight .10000E+01 volume .12332E-02 ppm1 2.085 ppm2 7.826 CV 1
ASSI { 1633}
(( segid " " and resid 113 and name HB3 ))
(( segid " " and resid 114 and name HN ))
3.100 1.200 1.200 peak 1633 spectrum 3 weight .10000E+01 volume .10816E-02 ppm1 1.967 ppm2 7.826 CV 1
ASSI { 1634}
( segid " " and resid 113 and name HD1%)
(( segid " " and resid 114 and name HN ))
3.200 1.300 1.300 peak 1634 spectrum 3 weight .10000E+01 volume .96778E-03 ppm1 .815 ppm2 7.827 CV 1
OR { 1634}
( segid " " and resid 113 and name HD2%)
(( segid " " and resid 114 and name HN ))
ASSI { 1635}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 114 and name HN ))
2.900 1.100 1.100 peak 1635 spectrum 3 weight .10000E+01 volume .15251E-02 ppm1 8.028 ppm2 7.827 CV 1
ASSI { 1636}
(( segid " " and resid 114 and name HA ))
(( segid " " and resid 114 and name HN ))
2.800 1.000 1.000 peak 1636 spectrum 3 weight .10000E+01 volume .18313E-02 ppm1 3.894 ppm2 7.827 CV 1
ASSI { 1637}
(( segid " " and resid 114 and name HB ))
(( segid " " and resid 114 and name HN ))
2.800 1.000 1.000 peak 1637 spectrum 3 weight .10000E+01 volume .21942E-02 ppm1 2.440 ppm2 7.827 CV 1
ASSI { 1638}
( segid " " and resid 114 and name HG1%)
(( segid " " and resid 114 and name HN ))
2.600 .800 .800 peak 1638 spectrum 3 weight .10000E+01 volume .32215E-02 ppm1 1.327 ppm2 7.830 CV 1
ASSI { 1639}
( segid " " and resid 114 and name HG2%)
(( segid " " and resid 114 and name HN ))
3.000 1.200 1.200 peak 1639 spectrum 3 weight .10000E+01 volume .12135E-02 ppm1 1.115 ppm2 7.830 CV 1
ASSI { 1640}
(( segid " " and resid 115 and name HD2 ))
(( segid " " and resid 114 and name HN ))
2.900 1.100 1.100 peak 1640 spectrum 3 weight .10000E+01 volume .14888E-02 ppm1 4.034 ppm2 7.827 CV 1
ASSI { 1641}
(( segid " " and resid 115 and name HD3 ))
(( segid " " and resid 114 and name HN ))
2.900 1.100 1.100 peak 1641 spectrum 3 weight .10000E+01 volume .15095E-02 ppm1 3.650 ppm2 7.827 CV 1
ASSI { 1642}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HN ))
3.200 1.300 1.300 peak 1642 spectrum 3 weight .10000E+01 volume .90584E-03 ppm1 4.191 ppm2 6.686 CV 1
ASSI { 1643}
(( segid " " and resid 116 and name HB2 ))
(( segid " " and resid 116 and name HN ))
2.900 1.100 1.100 peak 1643 spectrum 3 weight .10000E+01 volume .15729E-02 ppm1 1.979 ppm2 6.684 CV 1
OR { 1643}
(( segid " " and resid 116 and name HB3 ))
(( segid " " and resid 116 and name HN ))
ASSI { 1644}
(( segid " " and resid 116 and name HD3 ))
(( segid " " and resid 116 and name HN ))
3.300 1.400 1.400 peak 1644 spectrum 3 weight .10000E+01 volume .69078E-03 ppm1 2.106 ppm2 6.684 CV 1
OR { 1644}
(( segid " " and resid 116 and name HD2 ))
(( segid " " and resid 116 and name HN ))
ASSI { 1645}
(( segid " " and resid 116 and name HG3 ))
(( segid " " and resid 116 and name HN ))
3.300 1.400 1.400 peak 1645 spectrum 3 weight .10000E+01 volume .69320E-03 ppm1 1.715 ppm2 6.684 CV 1
OR { 1645}
(( segid " " and resid 116 and name HG2 ))
(( segid " " and resid 116 and name HN ))
ASSI { 1648}
(( segid " " and resid 113 and name HA ))
(( segid " " and resid 117 and name HN ))
3.400 1.400 1.400 peak 1648 spectrum 3 weight .10000E+01 volume .67602E-03 ppm1 4.166 ppm2 7.988 CV 1
ASSI { 1649}
(( segid " " and resid 114 and name HA ))
(( segid " " and resid 117 and name HN ))
3.400 1.500 1.500 peak 1649 spectrum 3 weight .10000E+01 volume .58428E-03 ppm1 3.895 ppm2 7.987 CV 1
ASSI { 1650}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 117 and name HN ))
3.600 1.600 1.600 peak 1650 spectrum 3 weight .10000E+01 volume .47783E-03 ppm1 4.780 ppm2 7.988 CV 1
ASSI { 1651}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 117 and name HN ))
3.200 1.300 1.300 peak 1651 spectrum 3 weight .10000E+01 volume .90091E-03 ppm1 4.191 ppm2 7.987 CV 1
ASSI { 1652}
(( segid " " and resid 116 and name HB3 ))
(( segid " " and resid 117 and name HN ))
2.800 1.000 1.000 peak 1652 spectrum 3 weight .10000E+01 volume .20831E-02 ppm1 1.978 ppm2 7.984 CV 1
OR { 1652}
(( segid " " and resid 116 and name HB2 ))
(( segid " " and resid 117 and name HN ))
ASSI { 1653}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 117 and name HN ))
2.900 1.100 1.100 peak 1653 spectrum 3 weight .10000E+01 volume .16218E-02 ppm1 6.681 ppm2 7.986 CV 1
ASSI { 1654}
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 117 and name HN ))
2.800 .900 .900 peak 1654 spectrum 3 weight .10000E+01 volume .22282E-02 ppm1 4.273 ppm2 7.987 CV 1
ASSI { 1655}
(( segid " " and resid 117 and name HB2 ))
(( segid " " and resid 117 and name HN ))
2.800 1.000 1.000 peak 1655 spectrum 3 weight .10000E+01 volume .20831E-02 ppm1 1.969 ppm2 7.985 CV 1
ASSI { 1656}
(( segid " " and resid 117 and name HB3 ))
(( segid " " and resid 117 and name HN ))
2.600 .800 .800 peak 1656 spectrum 3 weight .10000E+01 volume .30914E-02 ppm1 1.817 ppm2 7.985 CV 1
ASSI { 1657}
(( segid " " and resid 117 and name HD3 ))
(( segid " " and resid 117 and name HN ))
3.200 1.300 1.300 peak 1657 spectrum 3 weight .10000E+01 volume .91381E-03 ppm1 3.051 ppm2 7.986 CV 1
OR { 1657}
(( segid " " and resid 117 and name HD2 ))
(( segid " " and resid 117 and name HN ))
ASSI { 1658}
(( segid " " and resid 117 and name HG2 ))
(( segid " " and resid 117 and name HN ))
3.000 1.100 1.100 peak 1658 spectrum 3 weight .10000E+01 volume .13452E-02 ppm1 1.681 ppm2 7.985 CV 1
OR { 1658}
(( segid " " and resid 117 and name HG3 ))
(( segid " " and resid 117 and name HN ))
ASSI { 1659}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 117 and name HN ))
2.900 1.100 1.100 peak 1659 spectrum 3 weight .10000E+01 volume .16096E-02 ppm1 8.259 ppm2 7.986 CV 1
ASSI { 1660}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 117 and name HE ))
3.500 1.500 1.500 peak 1660 spectrum 3 weight .10000E+01 volume .53459E-03 ppm1 .722 ppm2 7.152 CV 1
ASSI { 1661}
(( segid " " and resid 117 and name HD2 ))
(( segid " " and resid 117 and name HE ))
3.200 1.300 1.300 peak 1661 spectrum 3 weight .10000E+01 volume .87518E-03 ppm1 3.053 ppm2 7.151 CV 1
OR { 1661}
(( segid " " and resid 117 and name HD3 ))
(( segid " " and resid 117 and name HE ))
ASSI { 1662}
(( segid " " and resid 117 and name HH22))
(( segid " " and resid 117 and name HE ))
3.300 1.400 1.400 peak 1662 spectrum 3 weight .10000E+01 volume .75268E-03 ppm1 6.761 ppm2 7.154 CV 1
OR { 1662}
(( segid " " and resid 117 and name HH21))
(( segid " " and resid 117 and name HE ))
OR { 1662}
(( segid " " and resid 117 and name HH12))
(( segid " " and resid 117 and name HE ))
OR { 1662}
(( segid " " and resid 117 and name HH11))
(( segid " " and resid 117 and name HE ))
ASSI { 1663}
(( segid " " and resid 54 and name HE1 ))
(( segid " " and resid 118 and name HN ))
3.500 1.500 1.500 peak 1663 spectrum 3 weight .10000E+01 volume .55054E-03 ppm1 7.453 ppm2 8.266 CV 1
ASSI { 1664}
(( segid " " and resid 114 and name HA ))
(( segid " " and resid 118 and name HN ))
3.500 1.600 1.600 peak 1664 spectrum 3 weight .10000E+01 volume .49058E-03 ppm1 3.896 ppm2 8.266 CV 1
ASSI { 1665}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 118 and name HN ))
2.900 1.100 1.100 peak 1665 spectrum 3 weight .10000E+01 volume .15333E-02 ppm1 4.780 ppm2 8.262 CV 1
ASSI { 1666}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 118 and name HN ))
3.500 1.500 1.500 peak 1666 spectrum 3 weight .10000E+01 volume .54379E-03 ppm1 4.192 ppm2 8.265 CV 1
ASSI { 1667}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 118 and name HN ))
3.500 1.600 1.600 peak 1667 spectrum 3 weight .10000E+01 volume .49507E-03 ppm1 6.688 ppm2 8.262 CV 1
ASSI { 1668}
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 118 and name HN ))
2.700 .900 .900 peak 1668 spectrum 3 weight .10000E+01 volume .23350E-02 ppm1 4.275 ppm2 8.264 CV 1
ASSI { 1669}
(( segid " " and resid 117 and name HB2 ))
(( segid " " and resid 118 and name HN ))
3.200 1.300 1.300 peak 1669 spectrum 3 weight .10000E+01 volume .87782E-03 ppm1 1.968 ppm2 8.262 CV 1
ASSI { 1670}
(( segid " " and resid 117 and name HB3 ))
(( segid " " and resid 118 and name HN ))
2.900 1.000 1.000 peak 1670 spectrum 3 weight .10000E+01 volume .17959E-02 ppm1 1.819 ppm2 8.262 CV 1
ASSI { 1671}
(( segid " " and resid 117 and name HG2 ))
(( segid " " and resid 118 and name HN ))
3.400 1.400 1.400 peak 1671 spectrum 3 weight .10000E+01 volume .64595E-03 ppm1 1.680 ppm2 8.262 CV 1
OR { 1671}
(( segid " " and resid 117 and name HG3 ))
(( segid " " and resid 118 and name HN ))
ASSI { 1672}
(( segid " " and resid 118 and name HA ))
(( segid " " and resid 118 and name HN ))
2.600 .900 .900 peak 1672 spectrum 3 weight .10000E+01 volume .29462E-02 ppm1 4.316 ppm2 8.264 CV 1
ASSI { 1673}
(( segid " " and resid 118 and name HB2 ))
(( segid " " and resid 118 and name HN ))
2.800 1.000 1.000 peak 1673 spectrum 3 weight .10000E+01 volume .20473E-02 ppm1 3.027 ppm2 8.261 CV 1
ASSI { 1674}
(( segid " " and resid 118 and name HB3 ))
(( segid " " and resid 118 and name HN ))
2.800 1.000 1.000 peak 1674 spectrum 3 weight .10000E+01 volume .20191E-02 ppm1 2.739 ppm2 8.263 CV 1
ASSI { 1677}
(( segid " " and resid 115 and name HA ))
(( segid " " and resid 119 and name HN ))
3.200 1.300 1.300 peak 1677 spectrum 3 weight .10000E+01 volume .84433E-03 ppm1 4.782 ppm2 7.978 CV 1
ASSI { 1678}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 119 and name HN ))
3.400 1.500 1.500 peak 1678 spectrum 3 weight .10000E+01 volume .62081E-03 ppm1 4.191 ppm2 7.978 CV 1
ASSI { 1679}
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 119 and name HN ))
2.800 1.000 1.000 peak 1679 spectrum 3 weight .10000E+01 volume .21078E-02 ppm1 4.279 ppm2 7.980 CV 1
ASSI { 1680}
(( segid " " and resid 118 and name HA ))
(( segid " " and resid 119 and name HN ))
2.700 .900 .900 peak 1680 spectrum 3 weight .10000E+01 volume .27919E-02 ppm1 4.317 ppm2 7.979 CV 1
ASSI { 1681}
(( segid " " and resid 118 and name HB2 ))
(( segid " " and resid 119 and name HN ))
3.100 1.200 1.200 peak 1681 spectrum 3 weight .10000E+01 volume .10691E-02 ppm1 3.026 ppm2 7.978 CV 1
ASSI { 1682}
(( segid " " and resid 118 and name HB3 ))
(( segid " " and resid 119 and name HN ))
3.100 1.200 1.200 peak 1682 spectrum 3 weight .10000E+01 volume .11816E-02 ppm1 2.738 ppm2 7.978 CV 1
ASSI { 1683}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 119 and name HN ))
3.100 1.200 1.200 peak 1683 spectrum 3 weight .10000E+01 volume .10099E-02 ppm1 8.260 ppm2 7.979 CV 1
ASSI { 1684}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 119 and name HN ))
2.600 .900 .900 peak 1684 spectrum 3 weight .10000E+01 volume .29496E-02 ppm1 4.295 ppm2 7.979 CV 1
ASSI { 1685}
(( segid " " and resid 119 and name HB2 ))
(( segid " " and resid 119 and name HN ))
2.400 .700 .700 peak 1685 spectrum 3 weight .10000E+01 volume .46685E-02 ppm1 3.306 ppm2 7.978 CV 1
OR { 1685}
(( segid " " and resid 119 and name HB3 ))
(( segid " " and resid 119 and name HN ))
ASSI { 1687}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 120 and name HN ))
2.600 .800 .800 peak 1687 spectrum 3 weight .10000E+01 volume .31494E-02 ppm1 4.192 ppm2 8.129 CV 1
ASSI { 1688}
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 120 and name HN ))
2.500 .800 .800 peak 1688 spectrum 3 weight .10000E+01 volume .39799E-02 ppm1 4.273 ppm2 8.129 CV 1
ASSI { 1689}
(( segid " " and resid 118 and name HA ))
(( segid " " and resid 120 and name HN ))
2.900 1.000 1.000 peak 1689 spectrum 3 weight .10000E+01 volume .17169E-02 ppm1 4.321 ppm2 8.129 CV 1
ASSI { 1690}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 120 and name HN ))
3.000 1.100 1.100 peak 1690 spectrum 3 weight .10000E+01 volume .13562E-02 ppm1 8.260 ppm2 8.129 CV 1
ASSI { 1691}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 120 and name HN ))
2.700 .900 .900 peak 1691 spectrum 3 weight .10000E+01 volume .23978E-02 ppm1 4.295 ppm2 8.129 CV 1
ASSI { 1692}
(( segid " " and resid 119 and name HB3 ))
(( segid " " and resid 120 and name HN ))
2.500 .800 .800 peak 1692 spectrum 3 weight .10000E+01 volume .41524E-02 ppm1 3.308 ppm2 8.127 CV 1
OR { 1692}
(( segid " " and resid 119 and name HB2 ))
(( segid " " and resid 120 and name HN ))
ASSI { 1693}
(( segid " " and resid 119 and name HD2 ))
(( segid " " and resid 120 and name HN ))
3.500 1.500 1.500 peak 1693 spectrum 3 weight .10000E+01 volume .51531E-03 ppm1 7.180 ppm2 8.130 CV 1
ASSI { 1694}
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 120 and name HN ))
2.800 1.000 1.000 peak 1694 spectrum 3 weight .10000E+01 volume .20726E-02 ppm1 7.979 ppm2 8.130 CV 1
ASSI { 1695}
(( segid " " and resid 120 and name HA ))
(( segid " " and resid 120 and name HN ))
2.400 .700 .700 peak 1695 spectrum 3 weight .10000E+01 volume .52860E-02 ppm1 4.231 ppm2 8.129 CV 1
ASSI { 1696}
( segid " " and resid 120 and name HB% )
(( segid " " and resid 120 and name HN ))
2.200 .600 .600 peak 1696 spectrum 3 weight .10000E+01 volume .83326E-02 ppm1 1.649 ppm2 8.129 CV 1
ASSI { 1698}
(( segid " " and resid 121 and name HN ))
(( segid " " and resid 120 and name HN ))
2.800 1.000 1.000 peak 1698 spectrum 3 weight .10000E+01 volume .19620E-02 ppm1 8.409 ppm2 8.129 CV 1
ASSI { 1699}
( segid " " and resid 51 and name HD1%)
(( segid " " and resid 121 and name HN ))
3.600 1.600 1.600 peak 1699 spectrum 3 weight .10000E+01 volume .46902E-03 ppm1 .771 ppm2 8.407 CV 1
ASSI { 1700}
(( segid " " and resid 117 and name HA ))
(( segid " " and resid 121 and name HN ))
3.000 1.100 1.100 peak 1700 spectrum 3 weight .10000E+01 volume .13291E-02 ppm1 4.273 ppm2 8.406 CV 1
ASSI { 1701}
(( segid " " and resid 118 and name HA ))
(( segid " " and resid 121 and name HN ))
3.200 1.300 1.300 peak 1701 spectrum 3 weight .10000E+01 volume .94693E-03 ppm1 4.318 ppm2 8.406 CV 1
ASSI { 1702}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 121 and name HN ))
3.000 1.100 1.100 peak 1702 spectrum 3 weight .10000E+01 volume .12487E-02 ppm1 4.296 ppm2 8.406 CV 1
ASSI { 1703}
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 121 and name HN ))
3.600 1.600 1.600 peak 1703 spectrum 3 weight .10000E+01 volume .44476E-03 ppm1 7.979 ppm2 8.407 CV 1
ASSI { 1704}
(( segid " " and resid 120 and name HA ))
(( segid " " and resid 121 and name HN ))
3.200 1.200 1.200 peak 1704 spectrum 3 weight .10000E+01 volume .98655E-03 ppm1 4.232 ppm2 8.406 CV 1
ASSI { 1705}
( segid " " and resid 120 and name HB% )
(( segid " " and resid 121 and name HN ))
2.500 .800 .800 peak 1705 spectrum 3 weight .10000E+01 volume .44554E-02 ppm1 1.649 ppm2 8.406 CV 1
ASSI { 1707}
(( segid " " and resid 121 and name HA ))
(( segid " " and resid 121 and name HN ))
2.900 1.000 1.000 peak 1707 spectrum 3 weight .10000E+01 volume .17161E-02 ppm1 3.973 ppm2 8.405 CV 1
ASSI { 1708}
(( segid " " and resid 121 and name HB2 ))
(( segid " " and resid 121 and name HN ))
2.900 1.000 1.000 peak 1708 spectrum 3 weight .10000E+01 volume .17191E-02 ppm1 1.967 ppm2 8.406 CV 1
ASSI { 1709}
(( segid " " and resid 121 and name HB3 ))
(( segid " " and resid 121 and name HN ))
2.400 .700 .700 peak 1709 spectrum 3 weight .10000E+01 volume .50896E-02 ppm1 1.666 ppm2 8.408 CV 1
ASSI { 1710}
( segid " " and resid 121 and name HD1%)
(( segid " " and resid 121 and name HN ))
2.900 1.000 1.000 peak 1710 spectrum 3 weight .10000E+01 volume .17071E-02 ppm1 .642 ppm2 8.408 CV 1
ASSI { 1711}
( segid " " and resid 121 and name HD2%)
(( segid " " and resid 121 and name HN ))
3.000 1.100 1.100 peak 1711 spectrum 3 weight .10000E+01 volume .14562E-02 ppm1 .472 ppm2 8.408 CV 1
ASSI { 1712}
(( segid " " and resid 121 and name HG ))
(( segid " " and resid 121 and name HN ))
2.900 1.000 1.000 peak 1712 spectrum 3 weight .10000E+01 volume .16547E-02 ppm1 1.242 ppm2 8.405 CV 1
ASSI { 1715}
(( segid " " and resid 123 and name HN ))
(( segid " " and resid 121 and name HN ))
3.400 1.400 1.400 peak 1715 spectrum 3 weight .10000E+01 volume .65818E-03 ppm1 8.294 ppm2 8.406 CV 1
ASSI { 1716}
( segid " " and resid 51 and name HD1%)
(( segid " " and resid 122 and name HN ))
3.600 1.700 1.700 peak 1716 spectrum 3 weight .10000E+01 volume .42141E-03 ppm1 .770 ppm2 7.881 CV 1
ASSI { 1717}
(( segid " " and resid 118 and name HA ))
(( segid " " and resid 122 and name HN ))
2.900 1.100 1.100 peak 1717 spectrum 3 weight .10000E+01 volume .16215E-02 ppm1 4.318 ppm2 7.884 CV 1
ASSI { 1718}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 122 and name HN ))
2.800 1.000 1.000 peak 1718 spectrum 3 weight .10000E+01 volume .18277E-02 ppm1 4.294 ppm2 7.884 CV 1
ASSI { 1719}
(( segid " " and resid 120 and name HN ))
(( segid " " and resid 122 and name HN ))
3.200 1.300 1.300 peak 1719 spectrum 3 weight .10000E+01 volume .95490E-03 ppm1 8.129 ppm2 7.883 CV 1
ASSI { 1720}
(( segid " " and resid 121 and name HA ))
(( segid " " and resid 122 and name HN ))
3.100 1.200 1.200 peak 1720 spectrum 3 weight .10000E+01 volume .11118E-02 ppm1 3.975 ppm2 7.887 CV 1
ASSI { 1721}
(( segid " " and resid 121 and name HB2 ))
(( segid " " and resid 122 and name HN ))
3.000 1.100 1.100 peak 1721 spectrum 3 weight .10000E+01 volume .13978E-02 ppm1 1.967 ppm2 7.883 CV 1
ASSI { 1722}
(( segid " " and resid 121 and name HB3 ))
(( segid " " and resid 122 and name HN ))
2.700 .900 .900 peak 1722 spectrum 3 weight .10000E+01 volume .27823E-02 ppm1 1.665 ppm2 7.884 CV 1
ASSI { 1723}
( segid " " and resid 121 and name HD1%)
(( segid " " and resid 122 and name HN ))
3.200 1.300 1.300 peak 1723 spectrum 3 weight .10000E+01 volume .92194E-03 ppm1 .643 ppm2 7.882 CV 1
ASSI { 1724}
( segid " " and resid 121 and name HD2%)
(( segid " " and resid 122 and name HN ))
3.500 1.500 1.500 peak 1724 spectrum 3 weight .10000E+01 volume .56560E-03 ppm1 .474 ppm2 7.882 CV 1
ASSI { 1725}
(( segid " " and resid 121 and name HG ))
(( segid " " and resid 122 and name HN ))
3.200 1.300 1.300 peak 1725 spectrum 3 weight .10000E+01 volume .91007E-03 ppm1 1.242 ppm2 7.882 CV 1
ASSI { 1726}
(( segid " " and resid 121 and name HN ))
(( segid " " and resid 122 and name HN ))
2.700 .900 .900 peak 1726 spectrum 3 weight .10000E+01 volume .22818E-02 ppm1 8.421 ppm2 7.882 CV 1
ASSI { 1727}
(( segid " " and resid 122 and name HA ))
(( segid " " and resid 122 and name HN ))
2.700 .900 .900 peak 1727 spectrum 3 weight .10000E+01 volume .23125E-02 ppm1 4.133 ppm2 7.887 CV 1
ASSI { 1728}
(( segid " " and resid 122 and name HB2 ))
(( segid " " and resid 122 and name HN ))
2.500 .800 .800 peak 1728 spectrum 3 weight .10000E+01 volume .41637E-02 ppm1 1.806 ppm2 7.885 CV 1
ASSI { 1729}
(( segid " " and resid 122 and name HB3 ))
(( segid " " and resid 122 and name HN ))
2.600 .800 .800 peak 1729 spectrum 3 weight .10000E+01 volume .33868E-02 ppm1 1.648 ppm2 7.883 CV 1
ASSI { 1730}
( segid " " and resid 122 and name HD2%)
(( segid " " and resid 122 and name HN ))
2.700 .900 .900 peak 1730 spectrum 3 weight .10000E+01 volume .22939E-02 ppm1 .917 ppm2 7.883 CV 1
OR { 1730}
( segid " " and resid 122 and name HD1%)
(( segid " " and resid 122 and name HN ))
ASSI { 1732}
(( segid " " and resid 123 and name HN ))
(( segid " " and resid 122 and name HN ))
2.800 1.000 1.000 peak 1732 spectrum 3 weight .10000E+01 volume .21822E-02 ppm1 8.297 ppm2 7.888 CV 1
ASSI { 1733}
(( segid " " and resid 124 and name HN ))
(( segid " " and resid 122 and name HN ))
2.500 .800 .800 peak 1733 spectrum 3 weight .10000E+01 volume .41817E-02 ppm1 7.850 ppm2 7.888 CV 1
ASSI { 1734}
(( segid " " and resid 119 and name HA ))
(( segid " " and resid 123 and name HN ))
3.300 1.400 1.400 peak 1734 spectrum 3 weight .10000E+01 volume .76302E-03 ppm1 4.293 ppm2 8.297 CV 1
ASSI { 1735}
(( segid " " and resid 120 and name HA ))
(( segid " " and resid 123 and name HN ))
2.900 1.000 1.000 peak 1735 spectrum 3 weight .10000E+01 volume .16465E-02 ppm1 4.248 ppm2 8.297 CV 1
ASSI { 1737}
(( segid " " and resid 122 and name HA ))
(( segid " " and resid 123 and name HN ))
3.000 1.100 1.100 peak 1737 spectrum 3 weight .10000E+01 volume .14096E-02 ppm1 4.134 ppm2 8.297 CV 1
ASSI { 1738}
(( segid " " and resid 122 and name HB2 ))
(( segid " " and resid 123 and name HN ))
2.900 1.000 1.000 peak 1738 spectrum 3 weight .10000E+01 volume .17534E-02 ppm1 1.807 ppm2 8.297 CV 1
ASSI { 1739}
(( segid " " and resid 122 and name HB3 ))
(( segid " " and resid 123 and name HN ))
2.800 1.000 1.000 peak 1739 spectrum 3 weight .10000E+01 volume .19895E-02 ppm1 1.648 ppm2 8.297 CV 1
ASSI { 1740}
( segid " " and resid 122 and name HD2%)
(( segid " " and resid 123 and name HN ))
3.200 1.300 1.300 peak 1740 spectrum 3 weight .10000E+01 volume .91588E-03 ppm1 .917 ppm2 8.297 CV 1
OR { 1740}
( segid " " and resid 122 and name HD1%)
(( segid " " and resid 123 and name HN ))
ASSI { 1742}
(( segid " " and resid 123 and name HA ))
(( segid " " and resid 123 and name HN ))
2.500 .800 .800 peak 1742 spectrum 3 weight .10000E+01 volume .37864E-02 ppm1 4.018 ppm2 8.297 CV 1
ASSI { 1743}
(( segid " " and resid 123 and name HB2 ))
(( segid " " and resid 123 and name HN ))
2.300 .700 .700 peak 1743 spectrum 3 weight .10000E+01 volume .59365E-02 ppm1 2.059 ppm2 8.297 CV 1
OR { 1743}
(( segid " " and resid 123 and name HB3 ))
(( segid " " and resid 123 and name HN ))
ASSI { 1744}
(( segid " " and resid 123 and name HG3 ))
(( segid " " and resid 123 and name HN ))
3.000 1.100 1.100 peak 1744 spectrum 3 weight .10000E+01 volume .14629E-02 ppm1 2.198 ppm2 8.298 CV 1
OR { 1744}
(( segid " " and resid 123 and name HG2 ))
(( segid " " and resid 123 and name HN ))
ASSI { 1747}
(( segid " " and resid 125 and name HN ))
(( segid " " and resid 123 and name HN ))
3.100 1.200 1.200 peak 1747 spectrum 3 weight .10000E+01 volume .99374E-03 ppm1 8.460 ppm2 8.298 CV 1
ASSI { 1748}
(( segid " " and resid 120 and name HA ))
(( segid " " and resid 124 and name HN ))
3.500 1.600 1.600 peak 1748 spectrum 3 weight .10000E+01 volume .50565E-03 ppm1 4.237 ppm2 7.853 CV 1
ASSI { 1749}
(( segid " " and resid 121 and name HA ))
(( segid " " and resid 124 and name HN ))
3.000 1.100 1.100 peak 1749 spectrum 3 weight .10000E+01 volume .14236E-02 ppm1 3.974 ppm2 7.853 CV 1
ASSI { 1751}
(( segid " " and resid 123 and name HA ))
(( segid " " and resid 124 and name HN ))
2.800 1.000 1.000 peak 1751 spectrum 3 weight .10000E+01 volume .19811E-02 ppm1 4.017 ppm2 7.853 CV 1
ASSI { 1752}
(( segid " " and resid 123 and name HN ))
(( segid " " and resid 124 and name HN ))
2.700 .900 .900 peak 1752 spectrum 3 weight .10000E+01 volume .22529E-02 ppm1 8.305 ppm2 7.852 CV 1
ASSI { 1753}
(( segid " " and resid 124 and name HB2 ))
(( segid " " and resid 124 and name HN ))
2.500 .800 .800 peak 1753 spectrum 3 weight .10000E+01 volume .41329E-02 ppm1 2.197 ppm2 7.852 CV 1
ASSI { 1754}
(( segid " " and resid 124 and name HB3 ))
(( segid " " and resid 124 and name HN ))
2.400 .700 .700 peak 1754 spectrum 3 weight .10000E+01 volume .54628E-02 ppm1 2.060 ppm2 7.852 CV 1
ASSI { 1755}
(( segid " " and resid 124 and name HG3 ))
(( segid " " and resid 124 and name HN ))
2.800 1.000 1.000 peak 1755 spectrum 3 weight .10000E+01 volume .20687E-02 ppm1 2.379 ppm2 7.852 CV 1
OR { 1755}
(( segid " " and resid 124 and name HG2 ))
(( segid " " and resid 124 and name HN ))
ASSI { 1758}
(( segid " " and resid 126 and name HN ))
(( segid " " and resid 124 and name HN ))
3.400 1.400 1.400 peak 1758 spectrum 3 weight .10000E+01 volume .63692E-03 ppm1 7.973 ppm2 7.852 CV 1
ASSI { 1759}
( segid " " and resid 47 and name HD1%)
(( segid " " and resid 125 and name HN ))
2.900 1.000 1.000 peak 1759 spectrum 3 weight .10000E+01 volume .16454E-02 ppm1 .907 ppm2 8.459 CV 1
ASSI { 1760}
(( segid " " and resid 47 and name HG13))
(( segid " " and resid 125 and name HN ))
3.100 1.200 1.200 peak 1760 spectrum 3 weight .10000E+01 volume .10169E-02 ppm1 1.526 ppm2 8.457 CV 1
OR { 1760}
(( segid " " and resid 47 and name HG12))
(( segid " " and resid 125 and name HN ))
ASSI { 1761}
( segid " " and resid 47 and name HG2%)
(( segid " " and resid 125 and name HN ))
3.100 1.200 1.200 peak 1761 spectrum 3 weight .10000E+01 volume .11057E-02 ppm1 1.095 ppm2 8.457 CV 1
ASSI { 1762}
( segid " " and resid 51 and name HD1%)
(( segid " " and resid 125 and name HN ))
3.300 1.400 1.400 peak 1762 spectrum 3 weight .10000E+01 volume .70491E-03 ppm1 .769 ppm2 8.459 CV 1
ASSI { 1763}
(( segid " " and resid 121 and name HA ))
(( segid " " and resid 125 and name HN ))
3.000 1.100 1.100 peak 1763 spectrum 3 weight .10000E+01 volume .13050E-02 ppm1 3.975 ppm2 8.457 CV 1
ASSI { 1764}
(( segid " " and resid 122 and name HA ))
(( segid " " and resid 125 and name HN ))
2.600 .900 .900 peak 1764 spectrum 3 weight .10000E+01 volume .29893E-02 ppm1 4.136 ppm2 8.458 CV 1
ASSI { 1765}
(( segid " " and resid 123 and name HA ))
(( segid " " and resid 125 and name HN ))
2.900 1.100 1.100 peak 1765 spectrum 3 weight .10000E+01 volume .15344E-02 ppm1 4.023 ppm2 8.457 CV 1
ASSI { 1767}
(( segid " " and resid 124 and name HA ))
(( segid " " and resid 125 and name HN ))
2.600 .900 .900 peak 1767 spectrum 3 weight .10000E+01 volume .29893E-02 ppm1 4.127 ppm2 8.458 CV 1
ASSI { 1768}
(( segid " " and resid 124 and name HB2 ))
(( segid " " and resid 125 and name HN ))
2.700 .900 .900 peak 1768 spectrum 3 weight .10000E+01 volume .24188E-02 ppm1 2.198 ppm2 8.458 CV 1
ASSI { 1769}
(( segid " " and resid 124 and name HG3 ))
(( segid " " and resid 125 and name HN ))
2.600 .800 .800 peak 1769 spectrum 3 weight .10000E+01 volume .35230E-02 ppm1 2.380 ppm2 8.458 CV 1
OR { 1769}
(( segid " " and resid 124 and name HG2 ))
(( segid " " and resid 125 and name HN ))
ASSI { 1770}
(( segid " " and resid 124 and name HN ))
(( segid " " and resid 125 and name HN ))
2.700 .900 .900 peak 1770 spectrum 3 weight .10000E+01 volume .27294E-02 ppm1 7.853 ppm2 8.458 CV 1
ASSI { 1771}
(( segid " " and resid 125 and name HA ))
(( segid " " and resid 125 and name HN ))
2.600 .800 .800 peak 1771 spectrum 3 weight .10000E+01 volume .33060E-02 ppm1 3.911 ppm2 8.457 CV 1
ASSI { 1772}
(( segid " " and resid 125 and name HG2 ))
(( segid " " and resid 125 and name HN ))
2.500 .800 .800 peak 1772 spectrum 3 weight .10000E+01 volume .37743E-02 ppm1 2.360 ppm2 8.458 CV 1
ASSI { 1773}
(( segid " " and resid 125 and name HG3 ))
(( segid " " and resid 125 and name HN ))
2.600 .800 .800 peak 1773 spectrum 3 weight .10000E+01 volume .30990E-02 ppm1 2.264 ppm2 8.457 CV 1
ASSI { 1775}
(( segid " " and resid 126 and name HN ))
(( segid " " and resid 125 and name HN ))
2.700 .900 .900 peak 1775 spectrum 3 weight .10000E+01 volume .25842E-02 ppm1 7.972 ppm2 8.458 CV 1
ASSI { 1777}
( segid " " and resid 47 and name HD1%)
(( segid " " and resid 125 and name HE21))
3.100 1.200 1.200 peak 1777 spectrum 3 weight .10000E+01 volume .10519E-02 ppm1 .909 ppm2 7.658 CV 1
ASSI { 1778}
( segid " " and resid 47 and name HD1%)
(( segid " " and resid 125 and name HE22))
3.000 1.100 1.100 peak 1778 spectrum 3 weight .10000E+01 volume .14651E-02 ppm1 .910 ppm2 6.667 CV 1
ASSI { 1779}
( segid " " and resid 47 and name HG2%)
(( segid " " and resid 125 and name HE21))
3.500 1.500 1.500 peak 1779 spectrum 3 weight .10000E+01 volume .55849E-03 ppm1 1.098 ppm2 7.658 CV 1
ASSI { 1780}
( segid " " and resid 47 and name HG2%)
(( segid " " and resid 125 and name HE22))
3.700 1.700 1.700 peak 1780 spectrum 3 weight .10000E+01 volume .36647E-03 ppm1 1.097 ppm2 6.665 CV 1
ASSI { 1781}
( segid " " and resid 51 and name HD1%)
(( segid " " and resid 125 and name HE21))
3.000 1.100 1.100 peak 1781 spectrum 3 weight .10000E+01 volume .12532E-02 ppm1 .769 ppm2 7.657 CV 1
ASSI { 1782}
( segid " " and resid 51 and name HD1%)
(( segid " " and resid 125 and name HE22))
2.900 1.100 1.100 peak 1782 spectrum 3 weight .10000E+01 volume .16006E-02 ppm1 .769 ppm2 6.666 CV 1
ASSI { 1783}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 125 and name HE21))
3.100 1.200 1.200 peak 1783 spectrum 3 weight .10000E+01 volume .11453E-02 ppm1 .979 ppm2 7.658 CV 1
ASSI { 1784}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 125 and name HE22))
3.100 1.200 1.200 peak 1784 spectrum 3 weight .10000E+01 volume .10156E-02 ppm1 .978 ppm2 6.666 CV 1
ASSI { 1785}
(( segid " " and resid 125 and name HB3 ))
(( segid " " and resid 125 and name HE21))
3.500 1.500 1.500 peak 1785 spectrum 3 weight .10000E+01 volume .54718E-03 ppm1 2.059 ppm2 7.658 CV 1
OR { 1785}
(( segid " " and resid 125 and name HB2 ))
(( segid " " and resid 125 and name HE21))
ASSI { 1786}
(( segid " " and resid 125 and name HB2 ))
(( segid " " and resid 125 and name HE22))
3.700 1.700 1.700 peak 1786 spectrum 3 weight .10000E+01 volume .40329E-03 ppm1 2.060 ppm2 6.667 CV 1
OR { 1786}
(( segid " " and resid 125 and name HB3 ))
(( segid " " and resid 125 and name HE22))
ASSI { 1788}
(( segid " " and resid 125 and name HE21))
(( segid " " and resid 125 and name HE22))
1.700 .400 .500 peak 1788 spectrum 3 weight .10000E+01 volume .36374E-01 ppm1 7.658 ppm2 6.667 CV 1
ASSI { 1791}
(( segid " " and resid 125 and name HG2 ))
(( segid " " and resid 125 and name HE21))
3.300 1.300 1.300 peak 1791 spectrum 3 weight .10000E+01 volume .81073E-03 ppm1 2.359 ppm2 7.658 CV 1
ASSI { 1792}
(( segid " " and resid 125 and name HG2 ))
(( segid " " and resid 125 and name HE22))
3.500 1.600 1.600 peak 1792 spectrum 3 weight .10000E+01 volume .49024E-03 ppm1 2.358 ppm2 6.667 CV 1
ASSI { 1793}
(( segid " " and resid 125 and name HG3 ))
(( segid " " and resid 125 and name HE21))
2.500 .800 .800 peak 1793 spectrum 3 weight .10000E+01 volume .37007E-02 ppm1 2.267 ppm2 7.658 CV 1
ASSI { 1794}
(( segid " " and resid 125 and name HG3 ))
(( segid " " and resid 125 and name HE22))
2.600 .800 .800 peak 1794 spectrum 3 weight .10000E+01 volume .32518E-02 ppm1 2.266 ppm2 6.667 CV 1
ASSI { 1795}
(( segid " " and resid 122 and name HA ))
(( segid " " and resid 126 and name HN ))
2.900 1.000 1.000 peak 1795 spectrum 3 weight .10000E+01 volume .17015E-02 ppm1 4.138 ppm2 7.969 CV 1
ASSI { 1796}
( segid " " and resid 122 and name HD1%)
(( segid " " and resid 126 and name HN ))
3.400 1.500 1.500 peak 1796 spectrum 3 weight .10000E+01 volume .59481E-03 ppm1 .917 ppm2 7.972 CV 1
OR { 1796}
( segid " " and resid 122 and name HD2%)
(( segid " " and resid 126 and name HN ))
ASSI { 1797}
(( segid " " and resid 123 and name HA ))
(( segid " " and resid 126 and name HN ))
2.200 .600 .600 peak 1797 spectrum 3 weight .10000E+01 volume .78628E-02 ppm1 4.021 ppm2 7.969 CV 1
ASSI { 1798}
(( segid " " and resid 124 and name HA ))
(( segid " " and resid 126 and name HN ))
2.900 1.000 1.000 peak 1798 spectrum 3 weight .10000E+01 volume .17015E-02 ppm1 4.124 ppm2 7.969 CV 1
ASSI { 1800}
(( segid " " and resid 125 and name HA ))
(( segid " " and resid 126 and name HN ))
2.900 1.000 1.000 peak 1800 spectrum 3 weight .10000E+01 volume .16741E-02 ppm1 3.912 ppm2 7.969 CV 1
ASSI { 1801}
(( segid " " and resid 125 and name HB3 ))
(( segid " " and resid 126 and name HN ))
2.900 1.000 1.000 peak 1801 spectrum 3 weight .10000E+01 volume .17400E-02 ppm1 2.062 ppm2 7.974 CV 1
OR { 1801}
(( segid " " and resid 125 and name HB2 ))
(( segid " " and resid 126 and name HN ))
ASSI { 1802}
(( segid " " and resid 125 and name HG2 ))
(( segid " " and resid 126 and name HN ))
2.800 1.000 1.000 peak 1802 spectrum 3 weight .10000E+01 volume .21810E-02 ppm1 2.356 ppm2 7.973 CV 1
ASSI { 1803}
(( segid " " and resid 125 and name HG3 ))
(( segid " " and resid 126 and name HN ))
3.100 1.200 1.200 peak 1803 spectrum 3 weight .10000E+01 volume .10827E-02 ppm1 2.264 ppm2 7.974 CV 1
ASSI { 1805}
(( segid " " and resid 126 and name HA ))
(( segid " " and resid 126 and name HN ))
2.400 .700 .700 peak 1805 spectrum 3 weight .10000E+01 volume .53421E-02 ppm1 4.342 ppm2 7.974 CV 1
ASSI { 1806}
(( segid " " and resid 126 and name HB2 ))
(( segid " " and resid 126 and name HN ))
2.300 .700 .700 peak 1806 spectrum 3 weight .10000E+01 volume .63862E-02 ppm1 4.030 ppm2 7.969 CV 1
OR { 1806}
(( segid " " and resid 126 and name HB3 ))
(( segid " " and resid 126 and name HN ))
ASSI { 1808}
(( segid " " and resid 127 and name HN ))
(( segid " " and resid 126 and name HN ))
2.700 .900 .900 peak 1808 spectrum 3 weight .10000E+01 volume .22641E-02 ppm1 7.487 ppm2 7.974 CV 1
ASSI { 1809}
(( segid " " and resid 128 and name HN ))
(( segid " " and resid 126 and name HN ))
3.200 1.300 1.300 peak 1809 spectrum 3 weight .10000E+01 volume .83740E-03 ppm1 7.660 ppm2 7.973 CV 1
ASSI { 1810}
(( segid " " and resid 124 and name HA ))
(( segid " " and resid 127 and name HN ))
3.000 1.200 1.200 peak 1810 spectrum 3 weight .10000E+01 volume .12249E-02 ppm1 4.131 ppm2 7.485 CV 1
ASSI { 1811}
(( segid " " and resid 125 and name HA ))
(( segid " " and resid 127 and name HN ))
3.600 1.600 1.600 peak 1811 spectrum 3 weight .10000E+01 volume .45841E-03 ppm1 3.905 ppm2 7.485 CV 1
ASSI { 1812}
(( segid " " and resid 125 and name HN ))
(( segid " " and resid 127 and name HN ))
3.500 1.600 1.600 peak 1812 spectrum 3 weight .10000E+01 volume .49608E-03 ppm1 8.460 ppm2 7.485 CV 1
ASSI { 1813}
(( segid " " and resid 126 and name HA ))
(( segid " " and resid 127 and name HN ))
2.900 1.100 1.100 peak 1813 spectrum 3 weight .10000E+01 volume .16113E-02 ppm1 4.342 ppm2 7.485 CV 1
ASSI { 1815}
(( segid " " and resid 127 and name HA ))
(( segid " " and resid 127 and name HN ))
2.400 .700 .700 peak 1815 spectrum 3 weight .10000E+01 volume .48289E-02 ppm1 4.273 ppm2 7.485 CV 1
ASSI { 1816}
(( segid " " and resid 127 and name HB2 ))
(( segid " " and resid 127 and name HN ))
2.500 .800 .800 peak 1816 spectrum 3 weight .10000E+01 volume .41795E-02 ppm1 1.943 ppm2 7.485 CV 1
OR { 1816}
(( segid " " and resid 127 and name HB3 ))
(( segid " " and resid 127 and name HN ))
ASSI { 1817}
(( segid " " and resid 127 and name HD2 ))
(( segid " " and resid 127 and name HN ))
3.000 1.100 1.100 peak 1817 spectrum 3 weight .10000E+01 volume .14094E-02 ppm1 1.483 ppm2 7.484 CV 1
OR { 1817}
(( segid " " and resid 127 and name HD3 ))
(( segid " " and resid 127 and name HN ))
ASSI { 1818}
(( segid " " and resid 127 and name HG3 ))
(( segid " " and resid 127 and name HN ))
2.700 .900 .900 peak 1818 spectrum 3 weight .10000E+01 volume .23986E-02 ppm1 1.646 ppm2 7.484 CV 1
OR { 1818}
(( segid " " and resid 127 and name HG2 ))
(( segid " " and resid 127 and name HN ))
ASSI { 1820}
(( segid " " and resid 125 and name HA ))
(( segid " " and resid 128 and name HN ))
3.200 1.300 1.300 peak 1820 spectrum 3 weight .10000E+01 volume .93797E-03 ppm1 3.911 ppm2 7.663 CV 1
ASSI { 1821}
(( segid " " and resid 126 and name HA ))
(( segid " " and resid 128 and name HN ))
2.700 .900 .900 peak 1821 spectrum 3 weight .10000E+01 volume .26682E-02 ppm1 4.343 ppm2 7.663 CV 1
ASSI { 1823}
(( segid " " and resid 127 and name HA ))
(( segid " " and resid 128 and name HN ))
2.900 1.100 1.100 peak 1823 spectrum 3 weight .10000E+01 volume .15665E-02 ppm1 4.273 ppm2 7.663 CV 1
ASSI { 1824}
(( segid " " and resid 127 and name HN ))
(( segid " " and resid 128 and name HN ))
2.700 .900 .900 peak 1824 spectrum 3 weight .10000E+01 volume .24374E-02 ppm1 7.486 ppm2 7.663 CV 1
ASSI { 1825}
(( segid " " and resid 128 and name HA ))
(( segid " " and resid 128 and name HN ))
2.500 .800 .800 peak 1825 spectrum 3 weight .10000E+01 volume .37849E-02 ppm1 4.370 ppm2 7.663 CV 1
ASSI { 1826}
(( segid " " and resid 128 and name HB2 ))
(( segid " " and resid 128 and name HN ))
2.800 1.000 1.000 peak 1826 spectrum 3 weight .10000E+01 volume .18569E-02 ppm1 2.281 ppm2 7.662 CV 1
ASSI { 1827}
(( segid " " and resid 128 and name HB3 ))
(( segid " " and resid 128 and name HN ))
2.600 .800 .800 peak 1827 spectrum 3 weight .10000E+01 volume .34516E-02 ppm1 1.943 ppm2 7.664 CV 1
ASSI { 1828}
(( segid " " and resid 128 and name HG2 ))
(( segid " " and resid 128 and name HN ))
2.800 1.000 1.000 peak 1828 spectrum 3 weight .10000E+01 volume .19624E-02 ppm1 2.492 ppm2 7.662 CV 1
ASSI { 1829}
(( segid " " and resid 128 and name HG3 ))
(( segid " " and resid 128 and name HN ))
2.700 .900 .900 peak 1829 spectrum 3 weight .10000E+01 volume .26593E-02 ppm1 2.238 ppm2 7.663 CV 1
ASSI { 1830}
(( segid " " and resid 41 and name HB ))
(( segid " " and resid 128 and name HE22))
3.500 1.500 1.500 peak 1830 spectrum 3 weight .10000E+01 volume .57054E-03 ppm1 2.068 ppm2 6.485 CV 1
ASSI { 1831}
(( segid " " and resid 41 and name HB ))
(( segid " " and resid 128 and name HE21))
3.600 1.600 1.600 peak 1831 spectrum 3 weight .10000E+01 volume .42296E-03 ppm1 2.069 ppm2 7.658 CV 1
ASSI { 1832}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 128 and name HE21))
2.800 .900 .900 peak 1832 spectrum 3 weight .10000E+01 volume .22286E-02 ppm1 .872 ppm2 7.657 CV 1
OR { 1832}
( segid " " and resid 41 and name HG1%)
(( segid " " and resid 128 and name HE21))
ASSI { 1833}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 128 and name HE22))
2.900 1.100 1.100 peak 1833 spectrum 3 weight .10000E+01 volume .16144E-02 ppm1 .875 ppm2 6.487 CV 1
OR { 1833}
( segid " " and resid 41 and name HG1%)
(( segid " " and resid 128 and name HE22))
ASSI { 1834}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 128 and name HE22))
3.500 1.600 1.600 peak 1834 spectrum 3 weight .10000E+01 volume .48932E-03 ppm1 4.899 ppm2 6.489 CV 1
ASSI { 1835}
(( segid " " and resid 128 and name HA ))
(( segid " " and resid 128 and name HE21))
3.500 1.500 1.500 peak 1835 spectrum 3 weight .10000E+01 volume .53693E-03 ppm1 4.370 ppm2 7.657 CV 1
ASSI { 1836}
(( segid " " and resid 128 and name HA ))
(( segid " " and resid 128 and name HE22))
3.700 1.700 1.700 peak 1836 spectrum 3 weight .10000E+01 volume .37238E-03 ppm1 4.370 ppm2 6.487 CV 1
ASSI { 1837}
(( segid " " and resid 128 and name HB3 ))
(( segid " " and resid 128 and name HE21))
3.200 1.300 1.300 peak 1837 spectrum 3 weight .10000E+01 volume .92120E-03 ppm1 1.944 ppm2 7.658 CV 1
ASSI { 1838}
(( segid " " and resid 128 and name HB3 ))
(( segid " " and resid 128 and name HE22))
3.700 1.700 1.700 peak 1838 spectrum 3 weight .10000E+01 volume .35582E-03 ppm1 1.943 ppm2 6.486 CV 1
ASSI { 1841}
(( segid " " and resid 128 and name HE22))
(( segid " " and resid 128 and name HE21))
1.700 .300 .500 peak 1841 spectrum 3 weight .10000E+01 volume .47417E-01 ppm1 6.484 ppm2 7.658 CV 1
ASSI { 1843}
(( segid " " and resid 128 and name HG2 ))
(( segid " " and resid 128 and name HE21))
2.600 .800 .800 peak 1843 spectrum 3 weight .10000E+01 volume .34094E-02 ppm1 2.490 ppm2 7.658 CV 1
ASSI { 1844}
(( segid " " and resid 128 and name HG2 ))
(( segid " " and resid 128 and name HE22))
2.700 .900 .900 peak 1844 spectrum 3 weight .10000E+01 volume .25744E-02 ppm1 2.492 ppm2 6.487 CV 1
ASSI { 1845}
(( segid " " and resid 128 and name HG3 ))
(( segid " " and resid 128 and name HE21))
2.600 .900 .900 peak 1845 spectrum 3 weight .10000E+01 volume .28594E-02 ppm1 2.233 ppm2 7.658 CV 1
ASSI { 1846}
(( segid " " and resid 128 and name HG3 ))
(( segid " " and resid 128 and name HE22))
3.000 1.100 1.100 peak 1846 spectrum 3 weight .10000E+01 volume .14113E-02 ppm1 2.232 ppm2 6.486 CV 1
ASSI { 1847}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 129 and name HN ))
3.500 1.500 1.500 peak 1847 spectrum 3 weight .10000E+01 volume .52967E-03 ppm1 4.019 ppm2 7.681 CV 1
ASSI { 1848}
(( segid " " and resid 44 and name HB ))
(( segid " " and resid 129 and name HN ))
2.700 .900 .900 peak 1848 spectrum 3 weight .10000E+01 volume .22433E-02 ppm1 1.911 ppm2 7.679 CV 1
ASSI { 1849}
( segid " " and resid 44 and name HD1%)
(( segid " " and resid 129 and name HN ))
3.500 1.500 1.500 peak 1849 spectrum 3 weight .10000E+01 volume .54817E-03 ppm1 .953 ppm2 7.678 CV 1
ASSI { 1850}
(( segid " " and resid 125 and name HA ))
(( segid " " and resid 129 and name HN ))
3.700 1.700 1.700 peak 1850 spectrum 3 weight .10000E+01 volume .37304E-03 ppm1 3.905 ppm2 7.678 CV 1
ASSI { 1851}
(( segid " " and resid 126 and name HA ))
(( segid " " and resid 129 and name HN ))
2.400 .700 .700 peak 1851 spectrum 3 weight .10000E+01 volume .56666E-02 ppm1 4.344 ppm2 7.681 CV 1
ASSI { 1852}
(( segid " " and resid 128 and name HA ))
(( segid " " and resid 129 and name HN ))
2.300 .700 .700 peak 1852 spectrum 3 weight .10000E+01 volume .62904E-02 ppm1 4.365 ppm2 7.682 CV 1
ASSI { 1853}
(( segid " " and resid 129 and name HA ))
(( segid " " and resid 129 and name HN ))
2.400 .700 .700 peak 1853 spectrum 3 weight .10000E+01 volume .48885E-02 ppm1 4.179 ppm2 7.682 CV 1
ASSI { 1854}
(( segid " " and resid 129 and name HB2 ))
(( segid " " and resid 129 and name HN ))
2.900 1.100 1.100 peak 1854 spectrum 3 weight .10000E+01 volume .14995E-02 ppm1 2.172 ppm2 7.680 CV 1
ASSI { 1855}
(( segid " " and resid 129 and name HB3 ))
(( segid " " and resid 129 and name HN ))
2.400 .700 .700 peak 1855 spectrum 3 weight .10000E+01 volume .45726E-02 ppm1 1.978 ppm2 7.680 CV 1
ASSI { 1856}
(( segid " " and resid 129 and name HG2 ))
(( segid " " and resid 129 and name HN ))
2.500 .800 .800 peak 1856 spectrum 3 weight .10000E+01 volume .40652E-02 ppm1 2.383 ppm2 7.679 CV 1
ASSI { 1857}
(( segid " " and resid 129 and name HG3 ))
(( segid " " and resid 129 and name HN ))
2.800 1.000 1.000 peak 1857 spectrum 3 weight .10000E+01 volume .21330E-02 ppm1 2.263 ppm2 7.679 CV 1
ASSI { 1858}
( segid " " and resid 44 and name HD1%)
(( segid " " and resid 129 and name HE21))
3.600 1.600 1.600 peak 1858 spectrum 3 weight .10000E+01 volume .43468E-03 ppm1 .955 ppm2 7.479 CV 1
ASSI { 1859}
( segid " " and resid 44 and name HD1%)
(( segid " " and resid 129 and name HE22))
3.600 1.600 1.600 peak 1859 spectrum 3 weight .10000E+01 volume .48048E-03 ppm1 .954 ppm2 6.817 CV 1
ASSI { 1860}
(( segid " " and resid 44 and name HG13))
(( segid " " and resid 129 and name HE21))
3.700 1.700 1.700 peak 1860 spectrum 3 weight .10000E+01 volume .40588E-03 ppm1 1.368 ppm2 7.473 CV 1
ASSI { 1865}
(( segid " " and resid 129 and name HG2 ))
(( segid " " and resid 129 and name HE21))
2.500 .800 .800 peak 1865 spectrum 3 weight .10000E+01 volume .41750E-02 ppm1 2.381 ppm2 7.473 CV 1
ASSI { 1866}
(( segid " " and resid 129 and name HG2 ))
(( segid " " and resid 129 and name HE22))
2.700 .900 .900 peak 1866 spectrum 3 weight .10000E+01 volume .22946E-02 ppm1 2.383 ppm2 6.816 CV 1
ASSI { 1867}
(( segid " " and resid 129 and name HG3 ))
(( segid " " and resid 129 and name HE21))
3.400 1.400 1.400 peak 1867 spectrum 3 weight .10000E+01 volume .65690E-03 ppm1 2.264 ppm2 7.474 CV 1
ASSI { 1868}
(( segid " " and resid 129 and name HG3 ))
(( segid " " and resid 129 and name HE22))
3.400 1.500 1.500 peak 1868 spectrum 3 weight .10000E+01 volume .57670E-03 ppm1 2.264 ppm2 6.816 CV 1
ASSI { 1911}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HN ))
2.700 .900 .900 peak 1911 spectrum 3 weight .10000E+01 volume .24309E-02 ppm1 2.108 ppm2 8.237 CV 1
OR { 1911}
( segid " " and resid 32 and name HE% )
(( segid " " and resid 32 and name HN ))
! ambiguous
ASSI { 391}
(( segid " " and resid 103 and name HG12))
( segid " " and resid 24 and name HD% )
2.400 .700 .700 peak 391 spectrum 1 weight .10000E+01 volume .45146E-02 ppm1 1.710 ppm2 7.153 CV 1
OR { 391}
( segid " " and resid 18 and name HB% )
( segid " " and resid 17 and name HD% )
ASSI { 393}
( segid " " and resid 21 and name HB% )
( segid " " and resid 17 and name HD% )
2.500 .800 .800 peak 393 spectrum 1 weight .10000E+01 volume .42710E-02 ppm1 .928 ppm2 7.154 CV 1
OR { 393}
( segid " " and resid 98 and name HG1%)
( segid " " and resid 17 and name HD% )
ASSI { 395}
(( segid " " and resid 68 and name HA ))
( segid " " and resid 24 and name HD% )
2.700 .900 .900 peak 395 spectrum 1 weight .10000E+01 volume .25048E-02 ppm1 4.039 ppm2 7.153 CV 1
OR { 395}
(( segid " " and resid 64 and name HA ))
( segid " " and resid 24 and name HD% )
ASSI { 397}
(( segid " " and resid 68 and name HA ))
( segid " " and resid 24 and name HE% )
2.900 1.100 1.100 peak 397 spectrum 1 weight .10000E+01 volume .16082E-02 ppm1 4.040 ppm2 7.193 CV 1
OR { 397}
(( segid " " and resid 64 and name HA ))
( segid " " and resid 24 and name HE% )
ASSI { 403}
(( segid " " and resid 68 and name HB3 ))
(( segid " " and resid 24 and name HZ ))
2.900 1.000 1.000 peak 403 spectrum 1 weight .10000E+01 volume .17595E-02 ppm1 1.147 ppm2 7.151 CV 1
OR { 403}
(( segid " " and resid 103 and name HG13))
( segid " " and resid 24 and name HD% )
ASSI { 405}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 31 and name HB% )
2.200 .600 .600 peak 405 spectrum 1 weight .10000E+01 volume .94565E-02 ppm1 3.742 ppm2 .754 CV 1
OR { 405}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 51 and name HD1%)
ASSI { 407}
(( segid " " and resid 39 and name HB2 ))
( segid " " and resid 50 and name HD1%)
3.300 1.400 1.400 peak 407 spectrum 1 weight .10000E+01 volume .68473E-03 ppm1 3.061 ppm2 .689 CV 1
OR { 407}
(( segid " " and resid 117 and name HD2 ))
( segid " " and resid 50 and name HD1%)
OR { 407}
(( segid " " and resid 117 and name HD3 ))
( segid " " and resid 50 and name HD1%)
ASSI { 409}
(( segid " " and resid 39 and name HB2 ))
( segid " " and resid 50 and name HD2%)
2.800 1.000 1.000 peak 409 spectrum 1 weight .10000E+01 volume .20743E-02 ppm1 3.061 ppm2 .474 CV 1
OR { 409}
(( segid " " and resid 117 and name HD2 ))
( segid " " and resid 50 and name HD2%)
OR { 409}
(( segid " " and resid 117 and name HD3 ))
( segid " " and resid 50 and name HD2%)
ASSI { 411}
(( segid " " and resid 35 and name HG ))
(( segid " " and resid 54 and name HE1 ))
2.500 .800 .800 peak 411 spectrum 1 weight .10000E+01 volume .35789E-02 ppm1 1.295 ppm2 7.435 CV 1
OR { 411}
( segid " " and resid 114 and name HG1%)
(( segid " " and resid 54 and name HE1 ))
ASSI { 413}
( segid " " and resid 114 and name HG1%)
( segid " " and resid 57 and name HD% )
2.600 .800 .800 peak 413 spectrum 1 weight .10000E+01 volume .34411E-02 ppm1 1.290 ppm2 7.282 CV 1
OR { 413}
(( segid " " and resid 35 and name HG ))
( segid " " and resid 57 and name HD% )
ASSI { 415}
( segid " " and resid 114 and name HG1%)
( segid " " and resid 57 and name HE% )
2.500 .800 .800 peak 415 spectrum 1 weight .10000E+01 volume .39136E-02 ppm1 1.292 ppm2 7.173 CV 1
OR { 415}
(( segid " " and resid 35 and name HG ))
( segid " " and resid 57 and name HE% )
ASSI { 417}
( segid " " and resid 35 and name HD2%)
( segid " " and resid 57 and name HE% )
2.600 .800 .800 peak 417 spectrum 1 weight .10000E+01 volume .33025E-02 ppm1 .641 ppm2 7.178 CV 1
OR { 417}
( segid " " and resid 110 and name HG2%)
( segid " " and resid 57 and name HE% )
ASSI { 419}
( segid " " and resid 35 and name HD2%)
(( segid " " and resid 57 and name HZ ))
2.600 .800 .800 peak 419 spectrum 1 weight .10000E+01 volume .32991E-02 ppm1 .640 ppm2 6.815 CV 1
OR { 419}
( segid " " and resid 110 and name HG2%)
(( segid " " and resid 57 and name HZ ))
ASSI { 421}
(( segid " " and resid 74 and name HB ))
( segid " " and resid 74 and name HG2%)
2.400 .700 .700 peak 421 spectrum 1 weight .10000E+01 volume .56981E-02 ppm1 2.229 ppm2 1.192 CV 1
OR { 421}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 74 and name HG2%)
ASSI { 423}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 78 and name HB% )
2.600 .900 .900 peak 423 spectrum 1 weight .10000E+01 volume .27977E-02 ppm1 3.349 ppm2 1.304 CV 1
OR { 423}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 78 and name HB% )
ASSI { 265}
( segid " " and resid 103 and name HD1%)
( segid " " and resid 71 and name HD1%)
2.800 1.000 1.000 peak 265 spectrum 2 weight .10000E+01 volume .18112E-02 ppm1 .928 ppm2 .403 CV 1
OR { 265}
( segid " " and resid 98 and name HG1%)
( segid " " and resid 71 and name HD1%)
ASSI { 267}
( segid " " and resid 103 and name HD1%)
( segid " " and resid 71 and name HG2%)
2.500 .800 .800 peak 267 spectrum 2 weight .10000E+01 volume .41284E-02 ppm1 .877 ppm2 .570 CV 1
OR { 267}
( segid " " and resid 98 and name HG2%)
( segid " " and resid 71 and name HG2%)
ASSI { 1873}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HN ))
3.200 1.200 1.200 peak 1873 spectrum 3 weight .10000E+01 volume .98081E-03 ppm1 8.232 ppm2 8.617 CV 1
OR { 1873}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 4 and name HN ))
ASSI { 1875}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 7 and name HN ))
2.600 .900 .900 peak 1875 spectrum 3 weight .10000E+01 volume .30684E-02 ppm1 8.221 ppm2 8.267 CV 1
OR { 1875}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 7 and name HN ))
ASSI { 1879}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HN ))
2.500 .800 .800 peak 1879 spectrum 3 weight .10000E+01 volume .35969E-02 ppm1 4.067 ppm2 8.268 CV 1
OR { 1879}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 7 and name HN ))
ASSI { 1881}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HN ))
2.400 .700 .700 peak 1881 spectrum 3 weight .10000E+01 volume .45724E-02 ppm1 8.081 ppm2 7.830 CV 1
OR { 1881}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 9 and name HN ))
ASSI { 1887}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 1887 spectrum 3 weight .10000E+01 volume .20040E-02 ppm1 8.085 ppm2 8.169 CV 1
OR { 1887}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 12 and name HN ))
ASSI { 1889}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HN ))
2.800 1.000 1.000 peak 1889 spectrum 3 weight .10000E+01 volume .20415E-02 ppm1 3.375 ppm2 9.222 CV 1
OR { 1889}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 14 and name HN ))
ASSI { 1891}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
2.600 .800 .800 peak 1891 spectrum 3 weight .10000E+01 volume .32545E-02 ppm1 3.902 ppm2 8.688 CV 1
OR { 1891}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 15 and name HN ))
ASSI { 1893}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HN ))
2.900 1.000 1.000 peak 1893 spectrum 3 weight .10000E+01 volume .17948E-02 ppm1 8.423 ppm2 9.084 CV 1
OR { 1893}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 17 and name HN ))
ASSI { 1895}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
2.600 .800 .800 peak 1895 spectrum 3 weight .10000E+01 volume .30967E-02 ppm1 3.938 ppm2 8.423 CV 1
OR { 1895}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
ASSI { 1901}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HN ))
2.800 1.000 1.000 peak 1901 spectrum 3 weight .10000E+01 volume .18272E-02 ppm1 8.425 ppm2 7.560 CV 1
OR { 1901}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 20 and name HN ))
ASSI { 1903}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HN ))
2.800 1.000 1.000 peak 1903 spectrum 3 weight .10000E+01 volume .19556E-02 ppm1 8.281 ppm2 8.558 CV 1
OR { 1903}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 27 and name HN ))
ASSI { 1909}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HN ))
2.500 .800 .800 peak 1909 spectrum 3 weight .10000E+01 volume .36359E-02 ppm1 8.279 ppm2 8.049 CV 1
OR { 1909}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 30 and name HN ))
ASSI { 1913}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
2.700 .900 .900 peak 1913 spectrum 3 weight .10000E+01 volume .27388E-02 ppm1 8.238 ppm2 7.341 CV 1
OR { 1913}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 33 and name HN ))
ASSI { 1915}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 36 and name HN ))
2.700 .900 .900 peak 1915 spectrum 3 weight .10000E+01 volume .22516E-02 ppm1 8.247 ppm2 7.318 CV 1
OR { 1915}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 36 and name HN ))
ASSI { 1917}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 37 and name HN ))
2.700 .900 .900 peak 1917 spectrum 3 weight .10000E+01 volume .23465E-02 ppm1 8.251 ppm2 7.364 CV 1
OR { 1917}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HN ))
ASSI { 1919}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HN ))
2.800 1.000 1.000 peak 1919 spectrum 3 weight .10000E+01 volume .19060E-02 ppm1 8.261 ppm2 7.600 CV 1
OR { 1919}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 39 and name HN ))
ASSI { 1921}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 48 and name HN ))
2.600 .900 .900 peak 1921 spectrum 3 weight .10000E+01 volume .28210E-02 ppm1 7.822 ppm2 8.556 CV 1
OR { 1921}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 48 and name HN ))
ASSI { 1923}
(( segid " " and resid 49 and name HA2 ))
(( segid " " and resid 49 and name HN ))
2.200 .600 .600 peak 1923 spectrum 3 weight .10000E+01 volume .88233E-02 ppm1 3.996 ppm2 8.031 CV 1
OR { 1923}
(( segid " " and resid 49 and name HA1 ))
(( segid " " and resid 49 and name HN ))
OR { 1923}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 49 and name HN ))
ASSI { 1925}
(( segid " " and resid 49 and name HA2 ))
(( segid " " and resid 50 and name HN ))
2.600 .800 .800 peak 1925 spectrum 3 weight .10000E+01 volume .31699E-02 ppm1 3.995 ppm2 7.836 CV 1
OR { 1925}
(( segid " " and resid 49 and name HA1 ))
(( segid " " and resid 50 and name HN ))
OR { 1925}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 50 and name HN ))
ASSI { 1927}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 51 and name HN ))
2.900 1.100 1.100 peak 1927 spectrum 3 weight .10000E+01 volume .14903E-02 ppm1 3.996 ppm2 8.584 CV 1
OR { 1927}
(( segid " " and resid 49 and name HA1 ))
(( segid " " and resid 51 and name HN ))
OR { 1927}
(( segid " " and resid 49 and name HA2 ))
(( segid " " and resid 51 and name HN ))
ASSI { 1929}
(( segid " " and resid 49 and name HA1 ))
(( segid " " and resid 52 and name HN ))
2.800 .900 .900 peak 1929 spectrum 3 weight .10000E+01 volume .22218E-02 ppm1 3.995 ppm2 8.279 CV 1
OR { 1929}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 52 and name HN ))
OR { 1929}
(( segid " " and resid 49 and name HA2 ))
(( segid " " and resid 52 and name HN ))
ASSI { 1931}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HN ))
3.000 1.100 1.100 peak 1931 spectrum 3 weight .10000E+01 volume .12651E-02 ppm1 4.365 ppm2 9.022 CV 1
OR { 1931}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 58 and name HN ))
ASSI { 1933}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HN ))
2.800 1.000 1.000 peak 1933 spectrum 3 weight .10000E+01 volume .22068E-02 ppm1 7.506 ppm2 8.668 CV 1
OR { 1933}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 65 and name HN ))
ASSI { 1939}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 68 and name HN ))
2.900 1.000 1.000 peak 1939 spectrum 3 weight .10000E+01 volume .17481E-02 ppm1 7.505 ppm2 8.020 CV 1
OR { 1939}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 68 and name HN ))
ASSI { 1943}
( segid " " and resid 13 and name HD1%)
(( segid " " and resid 77 and name HN ))
3.600 1.600 1.600 peak 1943 spectrum 3 weight .10000E+01 volume .46977E-03 ppm1 .998 ppm2 8.147 CV 1
OR { 1943}
( segid " " and resid 81 and name HG2%)
(( segid " " and resid 77 and name HN ))
ASSI { 1945}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 77 and name HN ))
3.000 1.100 1.100 peak 1945 spectrum 3 weight .10000E+01 volume .12640E-02 ppm1 .812 ppm2 8.147 CV 1
OR { 1945}
( segid " " and resid 81 and name HD1%)
(( segid " " and resid 77 and name HN ))
ASSI { 1947}
( segid " " and resid 13 and name HD1%)
(( segid " " and resid 78 and name HN ))
3.200 1.300 1.300 peak 1947 spectrum 3 weight .10000E+01 volume .92965E-03 ppm1 .999 ppm2 7.789 CV 1
OR { 1947}
( segid " " and resid 81 and name HG2%)
(( segid " " and resid 78 and name HN ))
ASSI { 1949}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 78 and name HN ))
2.600 .900 .900 peak 1949 spectrum 3 weight .10000E+01 volume .28150E-02 ppm1 .812 ppm2 7.789 CV 1
OR { 1949}
( segid " " and resid 81 and name HD1%)
(( segid " " and resid 78 and name HN ))
ASSI { 1951}
( segid " " and resid 81 and name HD1%)
(( segid " " and resid 79 and name HN ))
3.200 1.300 1.300 peak 1951 spectrum 3 weight .10000E+01 volume .91956E-03 ppm1 .813 ppm2 7.615 CV 1
OR { 1951}
( segid " " and resid 13 and name HD2%)
(( segid " " and resid 79 and name HN ))
ASSI { 1953}
(( segid " " and resid 80 and name HG2 ))
(( segid " " and resid 81 and name HN ))
2.700 .900 .900 peak 1953 spectrum 3 weight .10000E+01 volume .24050E-02 ppm1 1.736 ppm2 8.298 CV 1
OR { 1953}
(( segid " " and resid 81 and name HG13))
(( segid " " and resid 81 and name HN ))
ASSI { 1955}
( segid " " and resid 87 and name HG2%)
(( segid " " and resid 84 and name HN ))
3.500 1.600 1.600 peak 1955 spectrum 3 weight .10000E+01 volume .49841E-03 ppm1 .812 ppm2 8.402 CV 1
OR { 1955}
( segid " " and resid 81 and name HD1%)
(( segid " " and resid 84 and name HN ))
ASSI { 1957}
( segid " " and resid 96 and name HG2%)
(( segid " " and resid 96 and name HN ))
2.400 .700 .700 peak 1957 spectrum 3 weight .10000E+01 volume .46793E-02 ppm1 1.275 ppm2 7.329 CV 1
OR { 1957}
(( segid " " and resid 94 and name HG3 ))
(( segid " " and resid 96 and name HN ))
ASSI { 1959}
( segid " " and resid 98 and name HG2%)
(( segid " " and resid 99 and name HN ))
2.800 .900 .900 peak 1959 spectrum 3 weight .10000E+01 volume .22388E-02 ppm1 .940 ppm2 7.117 CV 1
OR { 1959}
( segid " " and resid 98 and name HG1%)
(( segid " " and resid 99 and name HN ))
OR { 1959}
( segid " " and resid 103 and name HD1%)
(( segid " " and resid 99 and name HN ))
ASSI { 1961}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 108 and name HN ))
4.200 2.200 1.800 peak 1961 spectrum 3 weight .10000E+01 volume .17698E-03 ppm1 8.370 ppm2 8.193 CV 1
OR { 1961}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 108 and name HN ))
ASSI { 1963}
(( segid " " and resid 113 and name HA ))
(( segid " " and resid 113 and name HN ))
2.700 .900 .900 peak 1963 spectrum 3 weight .10000E+01 volume .25628E-02 ppm1 4.166 ppm2 8.033 CV 1
OR { 1963}
(( segid " " and resid 112 and name HA ))
(( segid " " and resid 113 and name HN ))
ASSI { 1965}
(( segid " " and resid 113 and name HA ))
(( segid " " and resid 114 and name HN ))
3.200 1.200 1.200 peak 1965 spectrum 3 weight .10000E+01 volume .98003E-03 ppm1 4.165 ppm2 7.828 CV 1
OR { 1965}
(( segid " " and resid 112 and name HA ))
(( segid " " and resid 114 and name HN ))
ASSI { 1971}
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 118 and name HN ))
2.600 .900 .900 peak 1971 spectrum 3 weight .10000E+01 volume .30577E-02 ppm1 7.988 ppm2 8.262 CV 1
OR { 1971}
(( segid " " and resid 119 and name HN ))
(( segid " " and resid 118 and name HN ))
ASSI { 1975}
(( segid " " and resid 124 and name HA ))
(( segid " " and resid 124 and name HN ))
2.600 .800 .800 peak 1975 spectrum 3 weight .10000E+01 volume .31825E-02 ppm1 4.135 ppm2 7.852 CV 1
OR { 1975}
(( segid " " and resid 122 and name HA ))
(( segid " " and resid 124 and name HN ))
ASSI { 1977}
(( segid " " and resid 125 and name HB3 ))
(( segid " " and resid 125 and name HN ))
2.300 .700 .700 peak 1977 spectrum 3 weight .10000E+01 volume .62675E-02 ppm1 2.060 ppm2 8.458 CV 1
OR { 1977}
(( segid " " and resid 124 and name HB3 ))
(( segid " " and resid 125 and name HN ))
OR { 1977}
(( segid " " and resid 125 and name HB2 ))
(( segid " " and resid 125 and name HN ))
ASSI { 1979}
(( segid " " and resid 126 and name HB3 ))
(( segid " " and resid 127 and name HN ))
2.800 1.000 1.000 peak 1979 spectrum 3 weight .10000E+01 volume .19538E-02 ppm1 4.018 ppm2 7.483 CV 1
OR { 1979}
(( segid " " and resid 126 and name HB2 ))
(( segid " " and resid 127 and name HN ))
OR { 1979}
(( segid " " and resid 123 and name HA ))
(( segid " " and resid 127 and name HN ))
ASSI { 1981}
(( segid " " and resid 128 and name HN ))
(( segid " " and resid 127 and name HN ))
2.600 .800 .800 peak 1981 spectrum 3 weight .10000E+01 volume .32666E-02 ppm1 7.660 ppm2 7.485 CV 1
OR { 1981}
(( segid " " and resid 129 and name HN ))
(( segid " " and resid 127 and name HN ))
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