NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
537977 |
2lrj   |
18375 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 75 and name HB ))
3.900 3.900 2.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.63486E-03 ppm1 6.000 ppm2 1.898 CV 1
ASSI { 3}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 110 and name HB2 ))
5.800 5.800 0.200 peak 3 spectrum 1 weight 0.10000E+01 volume 0.12504E-03 ppm1 6.001 ppm2 2.496 CV 1
ASSI { 4}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 57 and name HN ))
3.800 1.800 1.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.58228E-03 ppm1 6.003 ppm2 7.416 CV 1
ASSI { 5}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HA ))
2.700 0.900 0.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.32511E-02 ppm1 6.003 ppm2 4.301 CV 1
ASSI { 6}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HB2 ))
2.800 1.000 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.29433E-02 ppm1 6.003 ppm2 3.759 CV 1
OR { 6}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HB3 ))
ASSI { 7}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HA ))
2.200 0.600 0.600 peak 7 spectrum 1 weight 0.10000E+01 volume 0.97470E-02 ppm1 6.003 ppm2 2.918 CV 1
ASSI { 8}
(( segid " " and resid 54 and name HN ))
( segid " " and resid 57 and name HB% )
2.400 0.700 0.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.56688E-02 ppm1 6.003 ppm2 1.095 CV 1
ASSI { 10}
(( segid " " and resid 54 and name HN ))
( segid " " and resid 72 and name HG1%)
2.700 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.29562E-02 ppm1 6.003 ppm2 0.523 CV 1
ASSI { 11}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HG2 ))
4.600 2.600 1.400 peak 11 spectrum 1 weight 0.10000E+01 volume 0.39950E-03 ppm1 6.003 ppm2 1.767 CV 1
ASSI { 12}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HB3 ))
3.000 1.200 1.200 peak 12 spectrum 1 weight 0.10000E+01 volume 0.38347E-02 ppm1 6.004 ppm2 1.252 CV 1
ASSI { 13}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 72 and name HN ))
5.000 3.100 1.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.47901E-03 ppm1 6.004 ppm2 8.224 CV 1
ASSI { 14}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 74 and name HN ))
5.100 5.100 0.900 peak 14 spectrum 1 weight 0.10000E+01 volume 0.40399E-03 ppm1 6.004 ppm2 7.865 CV 1
ASSI { 15}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 72 and name HB ))
4.200 2.200 1.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.33024E-03 ppm1 6.005 ppm2 2.213 CV 1
ASSI { 16}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HG3 ))
4.800 2.800 1.200 peak 16 spectrum 1 weight 0.10000E+01 volume 0.50274E-03 ppm1 6.005 ppm2 1.583 CV 1
ASSI { 17}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 57 and name HA ))
4.900 3.000 1.100 peak 17 spectrum 1 weight 0.10000E+01 volume 0.43220E-03 ppm1 6.006 ppm2 4.632 CV 1
ASSI { 21}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 16 and name HB3 ))
3.000 3.000 3.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.28151E-02 ppm1 6.041 ppm2 3.440 CV 1
ASSI { 22}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 69 and name HG2%)
2.400 0.700 0.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.46426E-02 ppm1 6.041 ppm2 -0.190 CV 1
ASSI { 23}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HA ))
2.800 1.000 1.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.21867E-02 ppm1 6.042 ppm2 5.328 CV 1
ASSI { 24}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HA ))
2.200 0.600 0.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.93621E-02 ppm1 6.042 ppm2 5.008 CV 1
ASSI { 26}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HB ))
4.500 2.500 1.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.39244E-03 ppm1 6.042 ppm2 1.686 CV 1
ASSI { 27}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 35 and name HB% )
2.700 0.900 0.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.27766E-02 ppm1 6.042 ppm2 1.064 CV 1
ASSI { 28}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 69 and name HG1%)
3.400 1.400 1.400 peak 28 spectrum 1 weight 0.10000E+01 volume 0.10773E-02 ppm1 6.042 ppm2 0.594 CV 1
ASSI { 29}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.000 1.100 1.100 peak 29 spectrum 1 weight 0.10000E+01 volume 0.15005E-02 ppm1 6.043 ppm2 3.851 CV 1
ASSI { 30}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HB3 ))
3.600 1.600 1.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.11542E-02 ppm1 6.043 ppm2 2.514 CV 1
ASSI { 31}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 16 and name HA ))
4.100 2.100 1.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.52454E-03 ppm1 6.043 ppm2 4.591 CV 1
ASSI { 37}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 18 and name HA ))
2.600 0.800 0.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.40655E-02 ppm1 6.143 ppm2 4.387 CV 1
ASSI { 38}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 9 and name HB3 ))
3.900 1.900 1.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.11799E-02 ppm1 6.143 ppm2 2.449 CV 1
ASSI { 39}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 9 and name HD21))
2.000 0.500 0.500 peak 39 spectrum 1 weight 0.10000E+01 volume 0.94904E-02 ppm1 6.144 ppm2 6.989 CV 1
ASSI { 40}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 9 and name HB2 ))
3.600 1.700 1.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.16288E-02 ppm1 6.146 ppm2 3.210 CV 1
ASSI { 42}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 26 and name HA2 ))
2.600 2.600 3.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.16737E-02 ppm1 6.326 ppm2 3.425 CV 1
ASSI { 44}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HN ))
2.700 0.900 0.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.28984E-02 ppm1 6.330 ppm2 6.645 CV 1
ASSI { 46}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 28 and name HG2%)
2.600 0.800 0.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.41553E-02 ppm1 6.330 ppm2 0.388 CV 1
ASSI { 47}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA ))
2.700 0.900 0.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.53544E-02 ppm1 6.331 ppm2 4.131 CV 1
ASSI { 48}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB2 ))
4.100 2.100 1.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.98109E-03 ppm1 6.331 ppm2 2.344 CV 1
OR { 48}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HG2 ))
ASSI { 49}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB3 ))
3.300 1.300 1.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.90416E-03 ppm1 6.331 ppm2 1.669 CV 1
ASSI { 50}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 24 and name HG2%)
2.500 0.800 0.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.50017E-02 ppm1 6.331 ppm2 0.769 CV 1
ASSI { 51}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 28 and name HD1%)
2.500 0.800 0.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.66691E-02 ppm1 6.331 ppm2 0.147 CV 1
ASSI { 53}
(( segid " " and resid 60 and name HE22))
( segid " " and resid 39 and name HB% )
4.000 2.000 2.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.33409E-03 ppm1 6.489 ppm2 1.197 CV 1
ASSI { 54}
(( segid " " and resid 60 and name HE22))
(( segid " " and resid 36 and name HB3 ))
3.400 3.400 2.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.24303E-02 ppm1 6.491 ppm2 2.443 CV 1
ASSI { 56}
(( segid " " and resid 60 and name HE22))
(( segid " " and resid 38 and name HB2 ))
4.300 2.300 1.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.45080E-03 ppm1 6.492 ppm2 3.168 CV 1
OR { 56}
(( segid " " and resid 60 and name HE22))
(( segid " " and resid 38 and name HB3 ))
ASSI { 57}
(( segid " " and resid 60 and name HE22))
(( segid " " and resid 60 and name HE21))
2.000 0.500 0.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.94265E-02 ppm1 6.493 ppm2 7.462 CV 1
ASSI { 58}
(( segid " " and resid 60 and name HE22))
(( segid " " and resid 36 and name HA ))
2.900 1.100 1.100 peak 58 spectrum 1 weight 0.10000E+01 volume 0.19045E-02 ppm1 6.493 ppm2 4.156 CV 1
ASSI { 59}
(( segid " " and resid 60 and name HE22))
(( segid " " and resid 37 and name HN ))
3.400 1.400 1.400 peak 59 spectrum 1 weight 0.10000E+01 volume 0.15005E-02 ppm1 6.497 ppm2 8.841 CV 1
ASSI { 60}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 9 and name HD22))
4.000 2.000 2.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.94904E-03 ppm1 6.631 ppm2 6.181 CV 1
ASSI { 62}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 15 and name HB2 ))
2.700 0.900 0.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.21674E-02 ppm1 6.635 ppm2 2.425 CV 1
ASSI { 63}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HN ))
2.600 0.900 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.30972E-02 ppm1 6.636 ppm2 7.302 CV 1
ASSI { 66}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 15 and name HB3 ))
3.300 1.400 1.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.17891E-02 ppm1 6.636 ppm2 2.227 CV 1
OR { 66}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 15 and name HG2 ))
ASSI { 67}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
2.800 1.000 1.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.29369E-02 ppm1 6.637 ppm2 4.392 CV 1
ASSI { 68}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.300 0.600 0.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.77590E-02 ppm1 6.637 ppm2 3.466 CV 1
ASSI { 69}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB3 ))
2.200 0.600 0.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.80795E-02 ppm1 6.637 ppm2 3.047 CV 1
ASSI { 71}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 14 and name HN ))
6.000 4.800 0.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.91055E-04 ppm1 6.638 ppm2 4.978 CV 1
ASSI { 72}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 28 and name HG2%)
4.400 2.400 1.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.56814E-03 ppm1 6.639 ppm2 0.394 CV 1
ASSI { 74}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 20 and name HN ))
3.500 1.500 1.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.84005E-03 ppm1 6.641 ppm2 7.442 CV 1
ASSI { 76}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 25 and name HA2 ))
3.900 1.900 1.900 peak 76 spectrum 1 weight 0.10000E+01 volume 0.44631E-03 ppm1 6.643 ppm2 3.743 CV 1
ASSI { 78}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
2.800 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.33601E-02 ppm1 6.644 ppm2 4.155 CV 1
ASSI { 79}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA2 ))
3.200 1.300 1.300 peak 79 spectrum 1 weight 0.10000E+01 volume 0.19301E-02 ppm1 6.644 ppm2 3.430 CV 1
ASSI { 80}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB3 ))
2.400 0.700 0.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.66047E-02 ppm1 6.644 ppm2 1.667 CV 1
ASSI { 81}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 24 and name HG2%)
2.600 0.800 0.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.42194E-02 ppm1 6.644 ppm2 0.795 CV 1
ASSI { 82}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB2 ))
2.600 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.50594E-02 ppm1 6.644 ppm2 2.339 CV 1
ASSI { 84}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 28 and name HD1%)
4.700 2.700 1.300 peak 84 spectrum 1 weight 0.10000E+01 volume 0.47196E-03 ppm1 6.645 ppm2 0.149 CV 1
ASSI { 85}
(( segid " " and resid 87 and name HD22))
(( segid " " and resid 87 and name HB3 ))
4.600 2.700 1.400 peak 85 spectrum 1 weight 0.10000E+01 volume 0.42964E-03 ppm1 6.752 ppm2 2.447 CV 1
ASSI { 86}
(( segid " " and resid 87 and name HD22))
(( segid " " and resid 87 and name HA ))
3.900 1.900 1.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.73101E-03 ppm1 6.755 ppm2 4.202 CV 1
ASSI { 88}
(( segid " " and resid 87 and name HD22))
(( segid " " and resid 87 and name HD21))
1.900 0.400 0.400 peak 88 spectrum 1 weight 0.10000E+01 volume 0.14043E-01 ppm1 6.757 ppm2 7.563 CV 1
ASSI { 89}
(( segid " " and resid 87 and name HD22))
(( segid " " and resid 92 and name HB3 ))
3.900 1.900 1.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.46298E-03 ppm1 6.758 ppm2 1.765 CV 1
OR { 89}
(( segid " " and resid 87 and name HD22))
(( segid " " and resid 92 and name HG3 ))
ASSI { 90}
(( segid " " and resid 87 and name HD22))
(( segid " " and resid 87 and name HB2 ))
3.800 1.800 1.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.13915E-02 ppm1 6.759 ppm2 3.533 CV 1
ASSI { 91}
(( segid " " and resid 87 and name HD22))
(( segid " " and resid 90 and name HA1 ))
4.500 4.500 1.500 peak 91 spectrum 1 weight 0.10000E+01 volume 0.26291E-03 ppm1 6.764 ppm2 3.994 CV 1
OR { 91}
(( segid " " and resid 87 and name HD22))
(( segid " " and resid 90 and name HA2 ))
ASSI { 92}
(( segid " " and resid 43 and name HE22))
(( segid " " and resid 43 and name HG2 ))
5.200 3.400 0.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.20392E-03 ppm1 6.817 ppm2 2.556 CV 1
ASSI { 93}
(( segid " " and resid 43 and name HE22))
(( segid " " and resid 43 and name HE21))
1.800 0.400 0.400 peak 93 spectrum 1 weight 0.10000E+01 volume 0.22700E-01 ppm1 6.820 ppm2 7.393 CV 1
ASSI { 94}
(( segid " " and resid 43 and name HE22))
(( segid " " and resid 43 and name HG3 ))
4.600 2.700 1.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.40783E-03 ppm1 6.821 ppm2 2.371 CV 1
ASSI { 95}
(( segid " " and resid 15 and name HE22))
(( segid " " and resid 92 and name HB3 ))
4.100 2.100 1.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.40591E-03 ppm1 6.823 ppm2 1.775 CV 1
OR { 95}
(( segid " " and resid 15 and name HE22))
(( segid " " and resid 92 and name HG3 ))
ASSI { 96}
(( segid " " and resid 15 and name HE22))
( segid " " and resid 12 and name HG2%)
3.200 3.200 2.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.55530E-03 ppm1 6.827 ppm2 1.091 CV 1
ASSI { 98}
(( segid " " and resid 15 and name HE22))
(( segid " " and resid 15 and name HE21))
1.800 0.400 0.400 peak 98 spectrum 1 weight 0.10000E+01 volume 0.18660E-01 ppm1 6.830 ppm2 7.748 CV 1
ASSI { 99}
(( segid " " and resid 15 and name HE22))
( segid " " and resid 11 and name HE% )
6.000 4.800 0.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.50915E-04 ppm1 6.831 ppm2 6.393 CV 1
ASSI { 100}
(( segid " " and resid 15 and name HE22))
(( segid " " and resid 15 and name HG2 ))
3.900 1.900 1.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.91055E-03 ppm1 6.832 ppm2 2.218 CV 1
OR { 100}
(( segid " " and resid 15 and name HE22))
(( segid " " and resid 15 and name HB3 ))
ASSI { 102}
(( segid " " and resid 109 and name HD22))
(( segid " " and resid 109 and name HB2 ))
3.800 1.800 1.800 peak 102 spectrum 1 weight 0.10000E+01 volume 0.12953E-02 ppm1 6.849 ppm2 3.121 CV 1
ASSI { 103}
(( segid " " and resid 109 and name HD22))
(( segid " " and resid 109 and name HD21))
2.000 0.500 0.500 peak 103 spectrum 1 weight 0.10000E+01 volume 0.13787E-01 ppm1 6.850 ppm2 7.640 CV 1
ASSI { 104}
(( segid " " and resid 109 and name HD22))
( segid " " and resid 39 and name HB% )
3.500 1.600 1.600 peak 104 spectrum 1 weight 0.10000E+01 volume 0.14428E-02 ppm1 6.851 ppm2 1.196 CV 1
ASSI { 105}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HN ))
4.400 2.400 1.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.40078E-03 ppm1 6.851 ppm2 8.286 CV 1
ASSI { 106}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 30 and name HB2 ))
4.500 2.600 1.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.30972E-03 ppm1 6.851 ppm2 3.740 CV 1
ASSI { 107}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
2.800 1.000 1.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.28407E-02 ppm1 6.853 ppm2 4.266 CV 1
ASSI { 108}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 30 and name HB3 ))
3.000 3.000 3.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.33409E-02 ppm1 6.853 ppm2 3.570 CV 1
ASSI { 109}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
2.300 0.700 0.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.75668E-02 ppm1 6.853 ppm2 3.436 CV 1
ASSI { 110}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG ))
2.100 0.600 0.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.11671E-01 ppm1 6.853 ppm2 1.325 CV 1
ASSI { 111}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 10 and name HD2%)
3.400 1.500 1.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.23726E-02 ppm1 6.853 ppm2 0.643 CV 1
OR { 111}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 10 and name HD1%)
ASSI { 112}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 21 and name HE% )
3.800 1.800 1.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.59828E-03 ppm1 6.853 ppm2 6.418 CV 1
ASSI { 113}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HB3 ))
4.800 2.900 1.200 peak 113 spectrum 1 weight 0.10000E+01 volume 0.53993E-03 ppm1 6.853 ppm2 2.949 CV 1
ASSI { 115}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB2 ))
3.500 1.600 1.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 6.855 ppm2 3.204 CV 1
ASSI { 116}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB3 ))
3.800 1.800 1.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.50787E-03 ppm1 6.856 ppm2 2.453 CV 1
ASSI { 117}
(( segid " " and resid 36 and name HD22))
(( segid " " and resid 36 and name HD21))
1.900 0.500 0.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.14108E-01 ppm1 6.859 ppm2 7.742 CV 1
ASSI { 118}
(( segid " " and resid 36 and name HD22))
(( segid " " and resid 36 and name HB3 ))
4.200 2.200 1.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.85283E-03 ppm1 6.859 ppm2 2.457 CV 1
ASSI { 119}
(( segid " " and resid 36 and name HD22))
(( segid " " and resid 36 and name HB2 ))
4.200 2.200 1.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.92982E-03 ppm1 6.860 ppm2 3.160 CV 1
ASSI { 120}
(( segid " " and resid 36 and name HD22))
(( segid " " and resid 66 and name HA ))
3.700 1.800 1.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.11222E-02 ppm1 6.861 ppm2 4.934 CV 1
ASSI { 121}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HN ))
3.800 1.800 1.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.59123E-03 ppm1 6.880 ppm2 7.450 CV 1
ASSI { 122}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
2.500 0.800 0.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.43797E-02 ppm1 6.881 ppm2 7.819 CV 1
ASSI { 124}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 9 and name HD22))
3.500 1.500 1.500 peak 124 spectrum 1 weight 0.10000E+01 volume 0.13274E-02 ppm1 6.882 ppm2 6.133 CV 1
ASSI { 125}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB2 ))
3.100 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.38282E-02 ppm1 6.882 ppm2 3.045 CV 1
ASSI { 127}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA ))
2.700 0.900 0.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.38410E-02 ppm1 6.883 ppm2 4.258 CV 1
ASSI { 128}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB2 ))
2.600 0.900 0.900 peak 128 spectrum 1 weight 0.10000E+01 volume 0.41425E-02 ppm1 6.883 ppm2 2.317 CV 1
ASSI { 129}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB3 ))
2.400 0.700 0.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.76951E-02 ppm1 6.883 ppm2 2.100 CV 1
ASSI { 130}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB3 ))
2.600 0.900 0.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.28984E-02 ppm1 6.887 ppm2 2.896 CV 1
ASSI { 132}
(( segid " " and resid 37 and name HD22))
( segid " " and resid 41 and name HB% )
3.200 1.300 1.300 peak 132 spectrum 1 weight 0.10000E+01 volume 0.19237E-02 ppm1 6.916 ppm2 0.429 CV 1
ASSI { 133}
(( segid " " and resid 37 and name HD22))
(( segid " " and resid 37 and name HD21))
1.800 0.400 0.400 peak 133 spectrum 1 weight 0.10000E+01 volume 0.17955E-01 ppm1 6.918 ppm2 7.897 CV 1
ASSI { 134}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 36 and name HB2 ))
4.100 2.100 1.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.40911E-03 ppm1 6.937 ppm2 3.143 CV 1
ASSI { 135}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 36 and name HB3 ))
3.500 1.500 1.500 peak 135 spectrum 1 weight 0.10000E+01 volume 0.87849E-03 ppm1 6.938 ppm2 2.460 CV 1
ASSI { 137}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HB2 ))
4.200 2.200 1.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.39501E-03 ppm1 6.938 ppm2 3.493 CV 1
ASSI { 138}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HB3 ))
4.000 2.000 2.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.63743E-03 ppm1 6.939 ppm2 2.930 CV 1
ASSI { 139}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 65 and name HG2 ))
5.700 4.000 0.300 peak 139 spectrum 1 weight 0.10000E+01 volume 0.15134E-03 ppm1 6.939 ppm2 1.887 CV 1
ASSI { 140}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HN ))
2.300 0.600 0.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.73101E-02 ppm1 6.940 ppm2 8.494 CV 1
ASSI { 141}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HA2 ))
2.500 0.800 0.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.73746E-02 ppm1 6.940 ppm2 4.209 CV 1
ASSI { 142}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HA1 ))
2.500 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.40719E-02 ppm1 6.940 ppm2 4.022 CV 1
ASSI { 143}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HA ))
3.100 1.200 1.200 peak 143 spectrum 1 weight 0.10000E+01 volume 0.16929E-02 ppm1 6.940 ppm2 4.937 CV 1
ASSI { 144}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 36 and name HD21))
3.800 1.800 1.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.47580E-03 ppm1 6.941 ppm2 7.748 CV 1
ASSI { 145}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 65 and name HD2 ))
3.300 1.400 1.400 peak 145 spectrum 1 weight 0.10000E+01 volume 0.11863E-02 ppm1 6.941 ppm2 3.748 CV 1
ASSI { 146}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 35 and name HB% )
4.600 2.700 1.400 peak 146 spectrum 1 weight 0.10000E+01 volume 0.33024E-03 ppm1 6.943 ppm2 1.076 CV 1
ASSI { 148}
(( segid " " and resid 107 and name HD22))
(( segid " " and resid 107 and name HD21))
1.800 0.400 0.400 peak 148 spectrum 1 weight 0.10000E+01 volume 0.20776E-01 ppm1 6.987 ppm2 7.402 CV 1
ASSI { 149}
(( segid " " and resid 107 and name HD22))
(( segid " " and resid 104 and name HA ))
3.700 3.700 2.300 peak 149 spectrum 1 weight 0.10000E+01 volume 0.10645E-02 ppm1 6.987 ppm2 4.260 CV 1
ASSI { 152}
(( segid " " and resid 107 and name HD22))
(( segid " " and resid 104 and name HG3 ))
3.800 3.800 2.200 peak 152 spectrum 1 weight 0.10000E+01 volume 0.86566E-03 ppm1 6.987 ppm2 2.227 CV 1
OR { 152}
(( segid " " and resid 107 and name HD22))
(( segid " " and resid 104 and name HG2 ))
ASSI { 153}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 9 and name HB3 ))
2.700 0.900 0.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.27702E-02 ppm1 6.988 ppm2 2.448 CV 1
ASSI { 154}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 18 and name HA ))
4.000 2.000 2.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.33922E-03 ppm1 6.988 ppm2 4.401 CV 1
ASSI { 156}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 9 and name HB2 ))
3.300 1.300 1.300 peak 156 spectrum 1 weight 0.10000E+01 volume 0.10131E-02 ppm1 6.992 ppm2 3.210 CV 1
ASSI { 157}
(( segid " " and resid 108 and name HN ))
( segid " " and resid 59 and name HD1%)
3.700 1.700 1.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.14941E-02 ppm1 7.014 ppm2 0.921 CV 1
ASSI { 158}
(( segid " " and resid 108 and name HN ))
( segid " " and resid 100 and name HG2%)
5.000 5.000 1.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.18917E-03 ppm1 7.015 ppm2 1.060 CV 1
ASSI { 159}
(( segid " " and resid 108 and name HN ))
( segid " " and resid 105 and name HB% )
3.300 1.400 1.400 peak 159 spectrum 1 weight 0.10000E+01 volume 0.38795E-03 ppm1 7.016 ppm2 1.520 CV 1
ASSI { 160}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 59 and name HG ))
4.900 3.000 1.100 peak 160 spectrum 1 weight 0.10000E+01 volume 0.32768E-03 ppm1 7.016 ppm2 0.279 CV 1
ASSI { 161}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 108 and name HA ))
2.700 0.900 0.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.28728E-02 ppm1 7.017 ppm2 4.635 CV 1
ASSI { 162}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 106 and name HN ))
4.200 2.200 1.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.73101E-03 ppm1 7.017 ppm2 8.365 CV 1
ASSI { 163}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 107 and name HN ))
2.400 0.700 0.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.63486E-02 ppm1 7.019 ppm2 7.828 CV 1
ASSI { 164}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 107 and name HA ))
3.300 1.400 1.400 peak 164 spectrum 1 weight 0.10000E+01 volume 0.16031E-02 ppm1 7.019 ppm2 4.470 CV 1
ASSI { 165}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 106 and name HA1 ))
4.000 2.000 2.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.70535E-03 ppm1 7.019 ppm2 3.929 CV 1
ASSI { 166}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 108 and name HB2 ))
2.700 0.900 0.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.23662E-02 ppm1 7.019 ppm2 2.900 CV 1
ASSI { 167}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 108 and name HB3 ))
2.800 1.000 1.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.71179E-02 ppm1 7.019 ppm2 2.371 CV 1
ASSI { 169}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 105 and name HA ))
3.600 1.600 1.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.71179E-03 ppm1 7.020 ppm2 4.059 CV 1
ASSI { 170}
(( segid " " and resid 50 and name HD22))
(( segid " " and resid 50 and name HD21))
1.900 0.500 0.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.12248E-01 ppm1 7.045 ppm2 7.806 CV 1
ASSI { 171}
(( segid " " and resid 50 and name HD22))
(( segid " " and resid 52 and name HB ))
5.000 3.100 1.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.39693E-03 ppm1 7.046 ppm2 3.949 CV 1
ASSI { 172}
(( segid " " and resid 50 and name HD22))
( segid " " and resid 48 and name HG2%)
3.100 1.200 1.200 peak 172 spectrum 1 weight 0.10000E+01 volume 0.15069E-02 ppm1 7.046 ppm2 1.141 CV 1
ASSI { 173}
(( segid " " and resid 50 and name HD22))
(( segid " " and resid 50 and name HB3 ))
3.900 1.900 1.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.12248E-02 ppm1 7.047 ppm2 3.107 CV 1
ASSI { 174}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
3.300 1.400 1.400 peak 174 spectrum 1 weight 0.10000E+01 volume 0.78234E-03 ppm1 7.057 ppm2 8.533 CV 1
ASSI { 175}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HB3 ))
4.000 2.000 2.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.50787E-03 ppm1 7.065 ppm2 3.608 CV 1
ASSI { 176}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 29 and name HA1 ))
3.200 1.200 1.200 peak 176 spectrum 1 weight 0.10000E+01 volume 0.10965E-02 ppm1 7.067 ppm2 2.665 CV 1
ASSI { 177}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 32 and name HD1 ))
4.800 2.900 1.200 peak 177 spectrum 1 weight 0.10000E+01 volume 0.51172E-03 ppm1 7.067 ppm2 6.662 CV 1
ASSI { 180}
(( segid " " and resid 31 and name HN ))
( segid " " and resid 31 and name HG2%)
2.900 1.000 1.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.23790E-02 ppm1 7.068 ppm2 0.988 CV 1
ASSI { 181}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HB2 ))
3.300 1.400 1.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.14171E-02 ppm1 7.068 ppm2 3.771 CV 1
ASSI { 182}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HA ))
3.700 1.700 1.700 peak 182 spectrum 1 weight 0.10000E+01 volume 0.52326E-03 ppm1 7.070 ppm2 4.141 CV 1
ASSI { 183}
(( segid " " and resid 39 and name HN ))
( segid " " and resid 40 and name HB% )
3.900 1.900 1.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.11735E-02 ppm1 7.143 ppm2 1.349 CV 1
ASSI { 185}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HN ))
2.400 0.700 0.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.60215E-02 ppm1 7.144 ppm2 8.059 CV 1
ASSI { 186}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HA ))
2.800 1.000 1.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.27445E-02 ppm1 7.144 ppm2 3.770 CV 1
ASSI { 187}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB3 ))
2.800 1.000 1.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.22572E-02 ppm1 7.144 ppm2 3.165 CV 1
OR { 187}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB2 ))
ASSI { 188}
(( segid " " and resid 39 and name HN ))
( segid " " and resid 39 and name HB% )
2.300 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.83361E-02 ppm1 7.144 ppm2 1.196 CV 1
ASSI { 189}
(( segid " " and resid 39 and name HN ))
( segid " " and resid 41 and name HB% )
4.300 2.300 1.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.45593E-03 ppm1 7.144 ppm2 0.440 CV 1
ASSI { 190}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 60 and name HE21))
3.200 1.300 1.300 peak 190 spectrum 1 weight 0.10000E+01 volume 0.13338E-02 ppm1 7.145 ppm2 7.457 CV 1
ASSI { 191}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 37 and name HA ))
4.000 2.000 2.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.53416E-03 ppm1 7.145 ppm2 5.045 CV 1
ASSI { 192}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HA ))
3.500 1.500 1.500 peak 192 spectrum 1 weight 0.10000E+01 volume 0.11863E-02 ppm1 7.145 ppm2 4.175 CV 1
ASSI { 195}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HA ))
4.300 2.300 1.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.56109E-03 ppm1 7.145 ppm2 3.991 CV 1
ASSI { 197}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 60 and name HE22))
3.500 1.600 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.11799E-02 ppm1 7.147 ppm2 6.492 CV 1
ASSI { 198}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 37 and name HN ))
5.100 3.300 0.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.30331E-03 ppm1 7.147 ppm2 8.849 CV 1
ASSI { 200}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 13 and name HB% )
4.400 2.500 1.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.34499E-03 ppm1 7.161 ppm2 0.836 CV 1
ASSI { 201}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
2.600 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.29048E-02 ppm1 7.162 ppm2 4.982 CV 1
ASSI { 202}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HB3 ))
2.500 0.800 0.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.17570E-02 ppm1 7.162 ppm2 3.049 CV 1
ASSI { 203}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG3 ))
3.200 1.300 1.300 peak 203 spectrum 1 weight 0.10000E+01 volume 0.32640E-02 ppm1 7.162 ppm2 2.062 CV 1
ASSI { 204}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 12 and name HG2%)
4.200 2.200 1.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.69896E-03 ppm1 7.162 ppm2 1.097 CV 1
ASSI { 206}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.000 1.100 1.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.27317E-02 ppm1 7.163 ppm2 3.457 CV 1
ASSI { 207}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB2 ))
2.600 0.800 0.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.26484E-02 ppm1 7.163 ppm2 2.413 CV 1
ASSI { 211}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 13 and name HN ))
4.100 2.100 1.900 peak 211 spectrum 1 weight 0.10000E+01 volume 0.27317E-03 ppm1 7.164 ppm2 8.153 CV 1
ASSI { 212}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HN ))
4.900 3.000 1.100 peak 212 spectrum 1 weight 0.10000E+01 volume 0.31165E-03 ppm1 7.165 ppm2 6.635 CV 1
ASSI { 213}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
4.500 2.500 1.500 peak 213 spectrum 1 weight 0.10000E+01 volume 0.47260E-03 ppm1 7.165 ppm2 9.300 CV 1
ASSI { 214}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HE1 ))
6.000 6.000 0.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.24239E-04 ppm1 7.192 ppm2 10.675 CV 1
ASSI { 216}
(( segid " " and resid 34 and name HD22))
(( segid " " and resid 34 and name HB2 ))
5.100 3.300 0.900 peak 216 spectrum 1 weight 0.10000E+01 volume 0.22379E-03 ppm1 7.241 ppm2 3.253 CV 1
ASSI { 217}
(( segid " " and resid 34 and name HD22))
(( segid " " and resid 34 and name HB3 ))
4.300 2.300 1.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.61045E-03 ppm1 7.244 ppm2 2.942 CV 1
ASSI { 220}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
3.000 1.100 1.100 peak 220 spectrum 1 weight 0.10000E+01 volume 0.18917E-02 ppm1 7.304 ppm2 3.172 CV 1
ASSI { 223}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 17 and name HG2%)
2.400 0.700 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.59314E-02 ppm1 7.305 ppm2 0.943 CV 1
ASSI { 224}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HB3 ))
2.900 1.000 1.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.21289E-02 ppm1 7.305 ppm2 2.229 CV 1
ASSI { 225}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
2.900 1.100 1.100 peak 225 spectrum 1 weight 0.10000E+01 volume 0.19301E-02 ppm1 7.305 ppm2 9.299 CV 1
ASSI { 226}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
3.500 1.500 1.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.82078E-03 ppm1 7.306 ppm2 4.593 CV 1
ASSI { 227}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HB2 ))
3.200 1.300 1.300 peak 227 spectrum 1 weight 0.10000E+01 volume 0.19494E-02 ppm1 7.306 ppm2 2.420 CV 1
ASSI { 229}
(( segid " " and resid 76 and name HD22))
(( segid " " and resid 76 and name HD21))
2.000 0.500 0.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.87211E-02 ppm1 7.308 ppm2 7.663 CV 1
ASSI { 230}
(( segid " " and resid 76 and name HD22))
(( segid " " and resid 76 and name HB3 ))
3.900 1.900 1.900 peak 230 spectrum 1 weight 0.10000E+01 volume 0.15454E-02 ppm1 7.308 ppm2 2.788 CV 1
ASSI { 232}
(( segid " " and resid 76 and name HD22))
( segid " " and resid 99 and name HG2%)
3.300 1.300 1.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.11735E-02 ppm1 7.309 ppm2 0.977 CV 1
ASSI { 233}
(( segid " " and resid 76 and name HD22))
(( segid " " and resid 82 and name HB ))
4.300 2.300 1.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.42322E-03 ppm1 7.309 ppm2 4.123 CV 1
ASSI { 234}
(( segid " " and resid 76 and name HD22))
(( segid " " and resid 80 and name HB2 ))
4.300 2.400 1.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.48542E-03 ppm1 7.310 ppm2 3.966 CV 1
OR { 234}
(( segid " " and resid 76 and name HD22))
(( segid " " and resid 80 and name HB3 ))
ASSI { 235}
(( segid " " and resid 76 and name HD22))
(( segid " " and resid 76 and name HB2 ))
4.500 2.500 1.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.61176E-03 ppm1 7.310 ppm2 2.932 CV 1
ASSI { 236}
(( segid " " and resid 43 and name HE21))
(( segid " " and resid 43 and name HG3 ))
3.700 1.700 1.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.50146E-03 ppm1 7.393 ppm2 2.369 CV 1
ASSI { 237}
(( segid " " and resid 43 and name HE21))
(( segid " " and resid 49 and name HB ))
4.700 2.800 1.300 peak 237 spectrum 1 weight 0.10000E+01 volume 0.23918E-03 ppm1 7.394 ppm2 1.931 CV 1
ASSI { 239}
(( segid " " and resid 107 and name HD21))
(( segid " " and resid 104 and name HB2 ))
3.300 1.400 1.400 peak 239 spectrum 1 weight 0.10000E+01 volume 0.15967E-02 ppm1 7.404 ppm2 2.225 CV 1
OR { 239}
(( segid " " and resid 107 and name HD21))
(( segid " " and resid 104 and name HG3 ))
OR { 239}
(( segid " " and resid 107 and name HD21))
(( segid " " and resid 104 and name HG2 ))
ASSI { 241}
(( segid " " and resid 107 and name HD21))
(( segid " " and resid 104 and name HA ))
3.600 1.600 1.600 peak 241 spectrum 1 weight 0.10000E+01 volume 0.10901E-02 ppm1 7.405 ppm2 4.261 CV 1
ASSI { 245}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HA ))
2.900 1.000 1.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.25265E-02 ppm1 7.417 ppm2 4.622 CV 1
ASSI { 246}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HN ))
2.500 0.800 0.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.46426E-02 ppm1 7.418 ppm2 8.949 CV 1
ASSI { 247}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HA2 ))
3.300 1.300 1.300 peak 247 spectrum 1 weight 0.10000E+01 volume 0.16223E-02 ppm1 7.418 ppm2 4.137 CV 1
ASSI { 248}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 72 and name HG2%)
3.500 1.500 1.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.20327E-02 ppm1 7.418 ppm2 0.821 CV 1
ASSI { 249}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 55 and name HB2 ))
4.700 2.800 1.300 peak 249 spectrum 1 weight 0.10000E+01 volume 0.44759E-03 ppm1 7.418 ppm2 1.785 CV 1
OR { 249}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 55 and name HD2 ))
ASSI { 251}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 55 and name HA ))
3.500 1.500 1.500 peak 251 spectrum 1 weight 0.10000E+01 volume 0.17634E-02 ppm1 7.419 ppm2 3.502 CV 1
ASSI { 252}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HA1 ))
3.300 1.300 1.300 peak 252 spectrum 1 weight 0.10000E+01 volume 0.17249E-02 ppm1 7.419 ppm2 3.360 CV 1
ASSI { 253}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 72 and name HB ))
2.300 0.700 0.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.71179E-02 ppm1 7.419 ppm2 2.205 CV 1
ASSI { 254}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 57 and name HB% )
2.300 0.600 0.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.86566E-02 ppm1 7.419 ppm2 1.096 CV 1
ASSI { 255}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 72 and name HG1%)
3.300 1.400 1.400 peak 255 spectrum 1 weight 0.10000E+01 volume 0.19366E-02 ppm1 7.419 ppm2 0.510 CV 1
ASSI { 256}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 58 and name HN ))
4.300 2.300 1.700 peak 256 spectrum 1 weight 0.10000E+01 volume 0.70535E-03 ppm1 7.420 ppm2 8.350 CV 1
ASSI { 259}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 86 and name HB3 ))
5.200 3.400 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.30074E-03 ppm1 7.450 ppm2 1.390 CV 1
ASSI { 260}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 18 and name HA ))
4.500 2.500 1.500 peak 260 spectrum 1 weight 0.10000E+01 volume 0.20648E-03 ppm1 7.451 ppm2 4.394 CV 1
ASSI { 261}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 16 and name HA ))
3.800 1.800 1.800 peak 261 spectrum 1 weight 0.10000E+01 volume 0.56175E-03 ppm1 7.451 ppm2 4.567 CV 1
ASSI { 262}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
3.500 1.500 1.500 peak 262 spectrum 1 weight 0.10000E+01 volume 0.82722E-03 ppm1 7.452 ppm2 4.123 CV 1
ASSI { 263}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 17 and name HA ))
3.300 1.400 1.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.11478E-02 ppm1 7.452 ppm2 3.172 CV 1
ASSI { 264}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB ))
2.400 0.700 0.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.60275E-02 ppm1 7.452 ppm2 2.008 CV 1
ASSI { 265}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 20 and name HG2%)
2.300 0.600 0.600 peak 265 spectrum 1 weight 0.10000E+01 volume 0.75023E-02 ppm1 7.452 ppm2 0.996 CV 1
ASSI { 266}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
2.700 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.28984E-02 ppm1 7.453 ppm2 8.372 CV 1
ASSI { 267}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB2 ))
3.800 1.800 1.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.16160E-02 ppm1 7.453 ppm2 3.943 CV 1
ASSI { 268}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
2.800 1.000 1.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.27574E-02 ppm1 7.453 ppm2 3.039 CV 1
ASSI { 270}
(( segid " " and resid 60 and name HE21))
(( segid " " and resid 61 and name HN ))
4.100 2.100 1.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.30844E-03 ppm1 7.464 ppm2 8.787 CV 1
ASSI { 273}
(( segid " " and resid 60 and name HE21))
(( segid " " and resid 36 and name HA ))
3.100 1.200 1.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.27125E-02 ppm1 7.465 ppm2 4.154 CV 1
ASSI { 274}
(( segid " " and resid 60 and name HE21))
(( segid " " and resid 38 and name HB2 ))
4.000 2.000 2.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.33666E-03 ppm1 7.465 ppm2 3.148 CV 1
OR { 274}
(( segid " " and resid 60 and name HE21))
(( segid " " and resid 38 and name HB3 ))
ASSI { 275}
(( segid " " and resid 60 and name HE21))
( segid " " and resid 39 and name HB% )
3.600 1.600 1.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.26163E-03 ppm1 7.469 ppm2 1.195 CV 1
ASSI { 276}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 42 and name HB% )
4.500 2.500 1.500 peak 276 spectrum 1 weight 0.10000E+01 volume 0.30908E-03 ppm1 7.530 ppm2 0.911 CV 1
ASSI { 277}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 41 and name HB% )
4.100 2.100 1.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.13915E-03 ppm1 7.531 ppm2 0.428 CV 1
ASSI { 278}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HA ))
2.900 1.000 1.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.29369E-02 ppm1 7.534 ppm2 4.621 CV 1
ASSI { 279}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HA1 ))
2.900 1.100 1.100 peak 279 spectrum 1 weight 0.10000E+01 volume 0.36615E-02 ppm1 7.535 ppm2 3.826 CV 1
ASSI { 280}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 42 and name HA ))
3.100 1.200 1.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.17121E-02 ppm1 7.537 ppm2 3.278 CV 1
ASSI { 281}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HN ))
2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.49055E-02 ppm1 7.538 ppm2 8.009 CV 1
ASSI { 282}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 45 and name HB% )
2.300 0.600 0.600 peak 282 spectrum 1 weight 0.10000E+01 volume 0.10581E-01 ppm1 7.538 ppm2 1.848 CV 1
ASSI { 283}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 41 and name HA ))
5.300 3.500 0.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.91699E-04 ppm1 7.547 ppm2 3.643 CV 1
ASSI { 285}
(( segid " " and resid 104 and name HN ))
( segid " " and resid 100 and name HG2%)
3.100 1.200 1.200 peak 285 spectrum 1 weight 0.10000E+01 volume 0.30331E-02 ppm1 7.555 ppm2 1.021 CV 1
ASSI { 287}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 105 and name HA ))
3.100 3.100 2.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.50723E-02 ppm1 7.556 ppm2 4.032 CV 1
ASSI { 288}
(( segid " " and resid 104 and name HN ))
( segid " " and resid 105 and name HB% )
3.700 1.700 1.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.20007E-02 ppm1 7.556 ppm2 1.506 CV 1
ASSI { 290}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 104 and name HA ))
2.600 0.800 0.800 peak 290 spectrum 1 weight 0.10000E+01 volume 0.54892E-02 ppm1 7.557 ppm2 4.250 CV 1
ASSI { 291}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 104 and name HB2 ))
2.300 0.700 0.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.81439E-02 ppm1 7.557 ppm2 2.218 CV 1
OR { 291}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 104 and name HG3 ))
ASSI { 292}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 104 and name HB3 ))
2.900 1.100 1.100 peak 292 spectrum 1 weight 0.10000E+01 volume 0.69252E-02 ppm1 7.557 ppm2 2.039 CV 1
ASSI { 295}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 87 and name HB3 ))
2.900 1.000 1.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.13594E-02 ppm1 7.560 ppm2 2.442 CV 1
ASSI { 298}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 92 and name HB3 ))
4.100 2.100 1.900 peak 298 spectrum 1 weight 0.10000E+01 volume 0.46619E-03 ppm1 7.564 ppm2 1.773 CV 1
OR { 298}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 92 and name HG3 ))
ASSI { 300}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 87 and name HA ))
3.200 1.300 1.300 peak 300 spectrum 1 weight 0.10000E+01 volume 0.16031E-02 ppm1 7.566 ppm2 4.199 CV 1
ASSI { 301}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 90 and name HA2 ))
4.800 2.900 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.26355E-03 ppm1 7.566 ppm2 3.996 CV 1
OR { 301}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 90 and name HA1 ))
ASSI { 303}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HN ))
2.500 0.800 0.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.45336E-02 ppm1 7.588 ppm2 7.819 CV 1
ASSI { 304}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB2 ))
2.500 0.800 0.800 peak 304 spectrum 1 weight 0.10000E+01 volume 0.33409E-02 ppm1 7.589 ppm2 1.128 CV 1
ASSI { 305}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 24 and name HG1%)
2.400 0.700 0.700 peak 305 spectrum 1 weight 0.10000E+01 volume 0.52646E-02 ppm1 7.589 ppm2 0.959 CV 1
ASSI { 306}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 24 and name HG2%)
2.200 0.600 0.600 peak 306 spectrum 1 weight 0.10000E+01 volume 0.74385E-02 ppm1 7.589 ppm2 0.794 CV 1
ASSI { 308}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 28 and name HD1%)
6.000 6.000 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.67974E-04 ppm1 7.589 ppm2 0.152 CV 1
ASSI { 309}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HG3 ))
5.100 3.300 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.31742E-03 ppm1 7.589 ppm2 -0.003 CV 1
ASSI { 311}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB3 ))
3.300 1.400 1.400 peak 311 spectrum 1 weight 0.10000E+01 volume 0.18211E-02 ppm1 7.590 ppm2 0.599 CV 1
ASSI { 312}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HG2 ))
4.100 2.200 1.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.78234E-03 ppm1 7.590 ppm2 0.429 CV 1
ASSI { 315}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HE3 ))
4.800 2.900 1.200 peak 315 spectrum 1 weight 0.10000E+01 volume 0.38539E-03 ppm1 7.593 ppm2 1.996 CV 1
ASSI { 317}
(( segid " " and resid 109 and name HD21))
(( segid " " and resid 109 and name HB2 ))
2.700 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.32640E-02 ppm1 7.641 ppm2 3.126 CV 1
ASSI { 318}
(( segid " " and resid 109 and name HD21))
( segid " " and resid 39 and name HB% )
3.100 1.200 1.200 peak 318 spectrum 1 weight 0.10000E+01 volume 0.16608E-02 ppm1 7.641 ppm2 1.198 CV 1
ASSI { 319}
(( segid " " and resid 109 and name HD21))
(( segid " " and resid 109 and name HB3 ))
3.700 1.700 1.700 peak 319 spectrum 1 weight 0.10000E+01 volume 0.52069E-03 ppm1 7.642 ppm2 2.038 CV 1
ASSI { 320}
(( segid " " and resid 76 and name HD21))
( segid " " and resid 99 and name HG2%)
3.200 1.300 1.300 peak 320 spectrum 1 weight 0.10000E+01 volume 0.16544E-02 ppm1 7.662 ppm2 0.980 CV 1
ASSI { 321}
(( segid " " and resid 76 and name HD21))
(( segid " " and resid 76 and name HN ))
3.000 1.100 1.100 peak 321 spectrum 1 weight 0.10000E+01 volume 0.12953E-02 ppm1 7.663 ppm2 9.058 CV 1
ASSI { 323}
(( segid " " and resid 76 and name HD21))
(( segid " " and resid 76 and name HB2 ))
2.900 1.000 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.12761E-02 ppm1 7.663 ppm2 2.939 CV 1
ASSI { 324}
(( segid " " and resid 76 and name HD21))
(( segid " " and resid 76 and name HB3 ))
3.100 1.200 1.200 peak 324 spectrum 1 weight 0.10000E+01 volume 0.42643E-02 ppm1 7.664 ppm2 2.791 CV 1
ASSI { 326}
(( segid " " and resid 76 and name HD21))
(( segid " " and resid 80 and name HB2 ))
3.400 1.400 1.400 peak 326 spectrum 1 weight 0.10000E+01 volume 0.76951E-03 ppm1 7.665 ppm2 3.972 CV 1
OR { 326}
(( segid " " and resid 76 and name HD21))
(( segid " " and resid 80 and name HB3 ))
ASSI { 327}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HB3 ))
6.000 5.300 0.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.14813E-03 ppm1 7.673 ppm2 2.689 CV 1
ASSI { 329}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HB2 ))
5.300 3.600 0.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.24111E-03 ppm1 7.675 ppm2 3.060 CV 1
ASSI { 331}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 21 and name HN ))
4.000 2.000 2.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.40462E-03 ppm1 7.676 ppm2 8.353 CV 1
ASSI { 332}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 27 and name HN ))
4.700 2.800 1.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.25329E-03 ppm1 7.676 ppm2 6.661 CV 1
ASSI { 333}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.200 1.300 1.300 peak 333 spectrum 1 weight 0.10000E+01 volume 0.40206E-02 ppm1 7.677 ppm2 3.457 CV 1
ASSI { 334}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB3 ))
2.500 0.800 0.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.24944E-02 ppm1 7.677 ppm2 3.049 CV 1
ASSI { 335}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 86 and name HB2 ))
4.300 2.300 1.700 peak 335 spectrum 1 weight 0.10000E+01 volume 0.94265E-03 ppm1 7.677 ppm2 1.636 CV 1
ASSI { 336}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.800 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.27830E-02 ppm1 7.677 ppm2 4.131 CV 1
ASSI { 337}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 16 and name HA ))
3.700 1.700 1.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.52582E-03 ppm1 7.677 ppm2 4.588 CV 1
ASSI { 338}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 20 and name HG2%)
4.900 3.000 1.100 peak 338 spectrum 1 weight 0.10000E+01 volume 0.27317E-03 ppm1 7.677 ppm2 0.977 CV 1
ASSI { 339}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 23 and name HB2 ))
3.800 1.800 1.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.67974E-03 ppm1 7.677 ppm2 1.121 CV 1
ASSI { 340}
(( segid " " and resid 46 and name HN ))
( segid " " and resid 42 and name HB% )
4.800 2.800 1.200 peak 340 spectrum 1 weight 0.10000E+01 volume 0.42899E-03 ppm1 7.677 ppm2 0.931 CV 1
ASSI { 341}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
2.700 0.900 0.900 peak 341 spectrum 1 weight 0.10000E+01 volume 0.27766E-02 ppm1 7.678 ppm2 6.635 CV 1
ASSI { 342}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB2 ))
2.400 0.700 0.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.50017E-02 ppm1 7.678 ppm2 3.948 CV 1
ASSI { 344}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA ))
3.000 1.100 1.100 peak 344 spectrum 1 weight 0.10000E+01 volume 0.21418E-02 ppm1 7.678 ppm2 4.400 CV 1
ASSI { 345}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 22 and name HA ))
3.300 1.400 1.400 peak 345 spectrum 1 weight 0.10000E+01 volume 0.11607E-02 ppm1 7.678 ppm2 4.257 CV 1
ASSI { 346}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA2 ))
2.800 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.58097E-02 ppm1 7.678 ppm2 3.750 CV 1
ASSI { 347}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA1 ))
2.200 0.600 0.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.10516E-01 ppm1 7.678 ppm2 3.560 CV 1
ASSI { 348}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 24 and name HG1%)
4.100 2.100 1.900 peak 348 spectrum 1 weight 0.10000E+01 volume 0.88494E-03 ppm1 7.678 ppm2 0.958 CV 1
ASSI { 349}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 86 and name HB3 ))
4.000 2.000 2.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.71818E-03 ppm1 7.678 ppm2 1.383 CV 1
ASSI { 350}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB3 ))
2.500 0.800 0.800 peak 350 spectrum 1 weight 0.10000E+01 volume 0.49248E-02 ppm1 7.678 ppm2 2.768 CV 1
ASSI { 351}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HN ))
2.600 0.800 0.800 peak 351 spectrum 1 weight 0.10000E+01 volume 0.37449E-02 ppm1 7.679 ppm2 7.448 CV 1
ASSI { 352}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
3.500 1.500 1.500 peak 352 spectrum 1 weight 0.10000E+01 volume 0.92338E-03 ppm1 7.679 ppm2 4.397 CV 1
ASSI { 353}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB ))
3.700 1.700 1.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.89777E-03 ppm1 7.679 ppm2 2.477 CV 1
ASSI { 354}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HN ))
2.300 0.600 0.600 peak 354 spectrum 1 weight 0.10000E+01 volume 0.63612E-02 ppm1 7.679 ppm2 8.281 CV 1
ASSI { 356}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HA2 ))
2.800 1.000 1.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.46234E-02 ppm1 7.679 ppm2 4.201 CV 1
ASSI { 357}
(( segid " " and resid 46 and name HN ))
( segid " " and resid 45 and name HB% )
3.100 1.200 1.200 peak 357 spectrum 1 weight 0.10000E+01 volume 0.18981E-02 ppm1 7.679 ppm2 1.853 CV 1
ASSI { 358}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 24 and name HG2%)
3.300 1.300 1.300 peak 358 spectrum 1 weight 0.10000E+01 volume 0.15326E-02 ppm1 7.680 ppm2 0.795 CV 1
ASSI { 359}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 43 and name HA ))
3.300 1.400 1.400 peak 359 spectrum 1 weight 0.10000E+01 volume 0.15646E-02 ppm1 7.680 ppm2 4.346 CV 1
ASSI { 360}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HA1 ))
2.300 0.600 0.600 peak 360 spectrum 1 weight 0.10000E+01 volume 0.84005E-02 ppm1 7.680 ppm2 3.755 CV 1
ASSI { 361}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HN ))
4.000 2.000 2.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.98109E-03 ppm1 7.680 ppm2 8.318 CV 1
ASSI { 363}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 18 and name HD1 ))
4.100 2.100 1.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.44054E-03 ppm1 7.682 ppm2 7.324 CV 1
ASSI { 364}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 27 and name HB2 ))
4.300 2.300 1.700 peak 364 spectrum 1 weight 0.10000E+01 volume 0.28215E-03 ppm1 7.682 ppm2 2.334 CV 1
OR { 364}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 27 and name HG2 ))
ASSI { 365}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 11 and name HD% )
3.000 1.200 1.200 peak 365 spectrum 1 weight 0.10000E+01 volume 0.39758E-02 ppm1 7.683 ppm2 7.209 CV 1
ASSI { 366}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HN ))
2.500 0.800 0.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.47773E-02 ppm1 7.683 ppm2 6.849 CV 1
ASSI { 367}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB2 ))
2.400 0.700 0.700 peak 367 spectrum 1 weight 0.10000E+01 volume 0.47837E-02 ppm1 7.683 ppm2 3.490 CV 1
ASSI { 368}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB3 ))
2.700 0.900 0.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.69896E-02 ppm1 7.683 ppm2 2.945 CV 1
ASSI { 369}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB2 ))
3.100 1.200 1.200 peak 369 spectrum 1 weight 0.10000E+01 volume 0.11671E-02 ppm1 7.683 ppm2 1.439 CV 1
ASSI { 370}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 10 and name HD1%)
3.100 1.200 1.200 peak 370 spectrum 1 weight 0.10000E+01 volume 0.59314E-03 ppm1 7.683 ppm2 0.642 CV 1
OR { 370}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 10 and name HD2%)
ASSI { 371}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HA1 ))
4.400 2.500 1.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.59762E-03 ppm1 7.683 ppm2 2.110 CV 1
ASSI { 372}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
2.900 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.28856E-02 ppm1 7.683 ppm2 4.255 CV 1
ASSI { 373}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB3 ))
3.700 1.700 1.700 peak 373 spectrum 1 weight 0.10000E+01 volume 0.13659E-02 ppm1 7.684 ppm2 1.260 CV 1
ASSI { 374}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 43 and name HB3 ))
4.300 2.300 1.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.27061E-03 ppm1 7.684 ppm2 2.123 CV 1
ASSI { 375}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 28 and name HD1%)
5.100 3.300 0.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.45400E-03 ppm1 7.686 ppm2 0.159 CV 1
ASSI { 376}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
2.700 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.38410E-02 ppm1 7.686 ppm2 4.367 CV 1
ASSI { 378}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 32 and name HB2 ))
5.600 5.600 0.400 peak 378 spectrum 1 weight 0.10000E+01 volume 0.57136E-04 ppm1 7.699 ppm2 2.574 CV 1
OR { 378}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 32 and name HB3 ))
ASSI { 379}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 86 and name HB3 ))
4.200 2.200 1.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.30331E-03 ppm1 7.702 ppm2 1.355 CV 1
ASSI { 380}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 19 and name HB2 ))
4.000 4.000 2.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.29048E-03 ppm1 7.703 ppm2 3.986 CV 1
ASSI { 382}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HN ))
2.500 0.800 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.47003E-02 ppm1 7.706 ppm2 8.245 CV 1
ASSI { 383}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HA ))
2.700 0.900 0.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.36936E-02 ppm1 7.706 ppm2 3.275 CV 1
ASSI { 384}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 15 and name HN ))
2.900 1.100 1.100 peak 384 spectrum 1 weight 0.10000E+01 volume 0.35910E-02 ppm1 7.706 ppm2 7.154 CV 1
ASSI { 385}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 39 and name HB% )
3.600 1.700 1.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.12697E-02 ppm1 7.706 ppm2 1.206 CV 1
ASSI { 386}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 38 and name HA ))
3.300 1.400 1.400 peak 386 spectrum 1 weight 0.10000E+01 volume 0.96826E-03 ppm1 7.707 ppm2 4.180 CV 1
ASSI { 387}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 39 and name HA ))
3.300 1.400 1.400 peak 387 spectrum 1 weight 0.10000E+01 volume 0.13530E-02 ppm1 7.707 ppm2 3.774 CV 1
ASSI { 388}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HA ))
3.400 1.400 1.400 peak 388 spectrum 1 weight 0.10000E+01 volume 0.13145E-02 ppm1 7.707 ppm2 3.636 CV 1
ASSI { 389}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 41 and name HB% )
2.400 0.700 0.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.63994E-02 ppm1 7.707 ppm2 0.429 CV 1
ASSI { 390}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 42 and name HB% )
2.100 0.600 0.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.10965E-01 ppm1 7.707 ppm2 0.911 CV 1
ASSI { 391}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 32 and name HE3 ))
5.100 3.300 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.22636E-03 ppm1 7.710 ppm2 5.904 CV 1
ASSI { 393}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 45 and name HB% )
4.400 2.500 1.600 peak 393 spectrum 1 weight 0.10000E+01 volume 0.38603E-03 ppm1 7.710 ppm2 1.846 CV 1
ASSI { 395}
(( segid " " and resid 36 and name HD21))
(( segid " " and resid 36 and name HB2 ))
2.900 1.000 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.19686E-02 ppm1 7.739 ppm2 3.146 CV 1
ASSI { 396}
(( segid " " and resid 36 and name HD21))
(( segid " " and resid 66 and name HA ))
3.300 1.400 1.400 peak 396 spectrum 1 weight 0.10000E+01 volume 0.94904E-03 ppm1 7.740 ppm2 4.933 CV 1
ASSI { 397}
(( segid " " and resid 36 and name HD21))
(( segid " " and resid 36 and name HB3 ))
3.000 1.100 1.100 peak 397 spectrum 1 weight 0.10000E+01 volume 0.19494E-02 ppm1 7.741 ppm2 2.462 CV 1
ASSI { 398}
(( segid " " and resid 15 and name HE21))
(( segid " " and resid 92 and name HB3 ))
4.600 2.700 1.400 peak 398 spectrum 1 weight 0.10000E+01 volume 0.16480E-03 ppm1 7.742 ppm2 1.799 CV 1
OR { 398}
(( segid " " and resid 15 and name HE21))
(( segid " " and resid 92 and name HG3 ))
ASSI { 400}
(( segid " " and resid 15 and name HE21))
( segid " " and resid 12 and name HG2%)
2.900 2.900 3.100 peak 400 spectrum 1 weight 0.10000E+01 volume 0.10645E-02 ppm1 7.746 ppm2 1.099 CV 1
ASSI { 401}
(( segid " " and resid 15 and name HE21))
(( segid " " and resid 15 and name HB3 ))
2.900 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.12633E-02 ppm1 7.747 ppm2 2.227 CV 1
OR { 401}
(( segid " " and resid 15 and name HE21))
(( segid " " and resid 15 and name HG2 ))
ASSI { 402}
(( segid " " and resid 15 and name HE21))
(( segid " " and resid 15 and name HG3 ))
3.100 1.200 1.200 peak 402 spectrum 1 weight 0.10000E+01 volume 0.21353E-02 ppm1 7.747 ppm2 2.060 CV 1
ASSI { 403}
(( segid " " and resid 15 and name HE21))
(( segid " " and resid 17 and name HN ))
5.100 3.200 0.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.21867E-03 ppm1 7.747 ppm2 7.294 CV 1
ASSI { 404}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 21 and name HD% )
3.500 3.500 2.500 peak 404 spectrum 1 weight 0.10000E+01 volume 0.16416E-02 ppm1 7.748 ppm2 6.832 CV 1
ASSI { 406}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HE1 ))
4.300 2.300 1.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.27381E-03 ppm1 7.749 ppm2 10.082 CV 1
ASSI { 407}
(( segid " " and resid 15 and name HE21))
(( segid " " and resid 15 and name HA ))
3.900 1.900 1.900 peak 407 spectrum 1 weight 0.10000E+01 volume 0.24624E-03 ppm1 7.749 ppm2 4.420 CV 1
ASSI { 408}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 31 and name HG2%)
3.800 1.800 1.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.10004E-02 ppm1 7.750 ppm2 0.989 CV 1
ASSI { 409}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 38 and name HE1 ))
4.000 2.000 2.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.49376E-03 ppm1 7.751 ppm2 9.652 CV 1
ASSI { 410}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
2.600 0.900 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.32896E-02 ppm1 7.751 ppm2 8.583 CV 1
ASSI { 413}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
2.300 0.700 0.700 peak 413 spectrum 1 weight 0.10000E+01 volume 0.41681E-02 ppm1 7.753 ppm2 7.066 CV 1
ASSI { 414}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HD1 ))
3.300 1.400 1.400 peak 414 spectrum 1 weight 0.10000E+01 volume 0.10773E-02 ppm1 7.753 ppm2 6.661 CV 1
ASSI { 415}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 30 and name HA ))
3.900 1.900 1.900 peak 415 spectrum 1 weight 0.10000E+01 volume 0.11157E-02 ppm1 7.753 ppm2 4.152 CV 1
ASSI { 416}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HA1 ))
4.300 2.300 1.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.86566E-03 ppm1 7.753 ppm2 3.864 CV 1
ASSI { 417}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 41 and name HB% )
4.400 2.400 1.600 peak 417 spectrum 1 weight 0.10000E+01 volume 0.48222E-03 ppm1 7.754 ppm2 0.425 CV 1
ASSI { 418}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HE3 ))
5.000 3.100 1.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.14556E-03 ppm1 7.754 ppm2 5.903 CV 1
ASSI { 420}
(( segid " " and resid 50 and name HD21))
(( segid " " and resid 50 and name HB3 ))
3.200 1.300 1.300 peak 420 spectrum 1 weight 0.10000E+01 volume 0.22829E-02 ppm1 7.803 ppm2 3.111 CV 1
ASSI { 421}
(( segid " " and resid 50 and name HD21))
( segid " " and resid 48 and name HG2%)
3.600 1.600 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.20199E-02 ppm1 7.803 ppm2 1.142 CV 1
ASSI { 422}
(( segid " " and resid 50 and name HD21))
(( segid " " and resid 52 and name HB ))
4.000 2.000 2.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.67330E-03 ppm1 7.804 ppm2 3.940 CV 1
ASSI { 423}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 24 and name HG2%)
4.100 2.100 1.900 peak 423 spectrum 1 weight 0.10000E+01 volume 0.57070E-03 ppm1 7.812 ppm2 0.797 CV 1
ASSI { 424}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA ))
3.200 1.300 1.300 peak 424 spectrum 1 weight 0.10000E+01 volume 0.16801E-02 ppm1 7.814 ppm2 4.272 CV 1
ASSI { 426}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
2.700 0.900 0.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.32383E-02 ppm1 7.815 ppm2 3.612 CV 1
ASSI { 427}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HA ))
3.000 1.100 1.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.19815E-02 ppm1 7.815 ppm2 3.047 CV 1
ASSI { 429}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB2 ))
2.400 0.700 0.700 peak 429 spectrum 1 weight 0.10000E+01 volume 0.62973E-02 ppm1 7.815 ppm2 1.139 CV 1
OR { 429}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HD2 ))
ASSI { 430}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB3 ))
3.600 1.600 1.600 peak 430 spectrum 1 weight 0.10000E+01 volume 0.20456E-02 ppm1 7.815 ppm2 0.592 CV 1
ASSI { 431}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG2 ))
2.700 0.900 0.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.25329E-02 ppm1 7.815 ppm2 0.438 CV 1
ASSI { 432}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG3 ))
3.900 1.900 1.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.14620E-02 ppm1 7.815 ppm2 -0.011 CV 1
ASSI { 434}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB3 ))
2.800 1.000 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.22123E-02 ppm1 7.816 ppm2 2.096 CV 1
ASSI { 435}
(( segid " " and resid 107 and name HN ))
( segid " " and resid 100 and name HG2%)
4.900 3.000 1.100 peak 435 spectrum 1 weight 0.10000E+01 volume 0.20520E-03 ppm1 7.817 ppm2 1.019 CV 1
ASSI { 436}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 107 and name HD21))
3.800 1.800 1.800 peak 436 spectrum 1 weight 0.10000E+01 volume 0.10901E-02 ppm1 7.822 ppm2 7.404 CV 1
ASSI { 437}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 106 and name HN ))
2.600 0.900 0.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.42899E-02 ppm1 7.825 ppm2 8.359 CV 1
ASSI { 439}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 107 and name HA ))
2.800 1.000 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.30139E-02 ppm1 7.825 ppm2 4.471 CV 1
ASSI { 440}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 105 and name HA ))
3.400 1.500 1.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.85927E-03 ppm1 7.825 ppm2 4.067 CV 1
ASSI { 441}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 106 and name HA1 ))
3.100 1.200 1.200 peak 441 spectrum 1 weight 0.10000E+01 volume 0.17570E-02 ppm1 7.825 ppm2 3.915 CV 1
ASSI { 442}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 107 and name HB3 ))
2.200 2.200 3.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.98754E-02 ppm1 7.825 ppm2 2.503 CV 1
ASSI { 444}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 104 and name HA ))
3.300 1.400 1.400 peak 444 spectrum 1 weight 0.10000E+01 volume 0.12248E-02 ppm1 7.826 ppm2 4.261 CV 1
ASSI { 445}
(( segid " " and resid 107 and name HN ))
( segid " " and resid 105 and name HB% )
3.700 1.700 1.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.22893E-03 ppm1 7.827 ppm2 1.514 CV 1
ASSI { 446}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA2 ))
3.200 1.300 1.300 peak 446 spectrum 1 weight 0.10000E+01 volume 0.17121E-02 ppm1 7.865 ppm2 3.748 CV 1
ASSI { 447}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
2.700 0.900 0.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.27510E-02 ppm1 7.866 ppm2 6.643 CV 1
ASSI { 449}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA2 ))
2.800 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.48222E-02 ppm1 7.866 ppm2 3.425 CV 1
ASSI { 450}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA1 ))
2.200 0.600 0.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.73101E-02 ppm1 7.866 ppm2 2.111 CV 1
ASSI { 451}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 24 and name HG2%)
2.600 0.900 0.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.27959E-02 ppm1 7.866 ppm2 0.793 CV 1
ASSI { 452}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HN ))
2.600 0.800 0.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.40014E-02 ppm1 7.867 ppm2 7.684 CV 1
ASSI { 453}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 22 and name HA ))
3.200 1.300 1.300 peak 453 spectrum 1 weight 0.10000E+01 volume 0.14236E-02 ppm1 7.867 ppm2 4.258 CV 1
ASSI { 454}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 24 and name HB ))
6.000 5.700 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.44439E-04 ppm1 7.868 ppm2 2.465 CV 1
ASSI { 455}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 28 and name HD1%)
5.600 3.900 0.400 peak 455 spectrum 1 weight 0.10000E+01 volume 0.49055E-03 ppm1 7.868 ppm2 0.155 CV 1
ASSI { 456}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 28 and name HN ))
4.800 2.800 1.200 peak 456 spectrum 1 weight 0.10000E+01 volume 0.31870E-03 ppm1 7.870 ppm2 6.358 CV 1
ASSI { 457}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HG3 ))
3.100 1.200 1.200 peak 457 spectrum 1 weight 0.10000E+01 volume 0.13145E-02 ppm1 7.873 ppm2 2.367 CV 1
ASSI { 458}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 111 and name HG2%)
4.000 2.000 2.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.68613E-03 ppm1 7.873 ppm2 0.748 CV 1
ASSI { 459}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 41 and name HA ))
4.300 2.300 1.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.31036E-03 ppm1 7.873 ppm2 3.633 CV 1
ASSI { 460}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 41 and name HB% )
3.200 3.200 2.800 peak 460 spectrum 1 weight 0.10000E+01 volume 0.53544E-03 ppm1 7.873 ppm2 0.422 CV 1
ASSI { 461}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HG2 ))
3.500 1.500 1.500 peak 461 spectrum 1 weight 0.10000E+01 volume 0.23021E-02 ppm1 7.874 ppm2 2.556 CV 1
ASSI { 462}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HB3 ))
2.200 0.600 0.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.10260E-01 ppm1 7.874 ppm2 2.112 CV 1
OR { 462}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HB2 ))
ASSI { 463}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 42 and name HB% )
2.300 0.700 0.700 peak 463 spectrum 1 weight 0.10000E+01 volume 0.70535E-02 ppm1 7.874 ppm2 0.926 CV 1
ASSI { 464}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HA ))
3.500 1.500 1.500 peak 464 spectrum 1 weight 0.10000E+01 volume 0.98109E-03 ppm1 7.874 ppm2 3.272 CV 1
ASSI { 465}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 39 and name HB% )
5.000 3.100 1.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.18789E-03 ppm1 7.874 ppm2 1.180 CV 1
ASSI { 467}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HA ))
2.700 0.900 0.900 peak 467 spectrum 1 weight 0.10000E+01 volume 0.36359E-02 ppm1 7.875 ppm2 4.344 CV 1
ASSI { 468}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 40 and name HA ))
3.200 1.300 1.300 peak 468 spectrum 1 weight 0.10000E+01 volume 0.14941E-02 ppm1 7.875 ppm2 3.984 CV 1
ASSI { 469}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 40 and name HB% )
3.500 1.500 1.500 peak 469 spectrum 1 weight 0.10000E+01 volume 0.31421E-03 ppm1 7.875 ppm2 1.352 CV 1
ASSI { 472}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HB3 ))
3.100 1.200 1.200 peak 472 spectrum 1 weight 0.10000E+01 volume 0.15646E-02 ppm1 7.896 ppm2 3.702 CV 1
ASSI { 474}
(( segid " " and resid 37 and name HD21))
( segid " " and resid 41 and name HB% )
3.100 1.200 1.200 peak 474 spectrum 1 weight 0.10000E+01 volume 0.13210E-02 ppm1 7.896 ppm2 0.427 CV 1
ASSI { 475}
(( segid " " and resid 37 and name HD21))
(( segid " " and resid 37 and name HB2 ))
3.200 1.300 1.300 peak 475 spectrum 1 weight 0.10000E+01 volume 0.37449E-02 ppm1 7.897 ppm2 3.588 CV 1
ASSI { 476}
(( segid " " and resid 37 and name HD21))
(( segid " " and resid 37 and name HB3 ))
3.000 1.100 1.100 peak 476 spectrum 1 weight 0.10000E+01 volume 0.10260E-02 ppm1 7.898 ppm2 2.829 CV 1
ASSI { 477}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HB3 ))
3.200 1.300 1.300 peak 477 spectrum 1 weight 0.10000E+01 volume 0.37064E-02 ppm1 7.901 ppm2 1.515 CV 1
ASSI { 479}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 82 and name HN ))
2.800 0.900 0.900 peak 479 spectrum 1 weight 0.10000E+01 volume 0.29113E-02 ppm1 7.902 ppm2 9.017 CV 1
ASSI { 480}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HN ))
2.300 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.66691E-02 ppm1 7.902 ppm2 8.821 CV 1
ASSI { 481}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 83 and name HA ))
4.300 2.400 1.700 peak 481 spectrum 1 weight 0.10000E+01 volume 0.78234E-03 ppm1 7.902 ppm2 5.632 CV 1
ASSI { 482}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HA ))
2.500 0.800 0.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.40719E-02 ppm1 7.902 ppm2 4.316 CV 1
ASSI { 483}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 82 and name HB ))
2.700 0.900 0.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.30139E-02 ppm1 7.902 ppm2 4.126 CV 1
ASSI { 484}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 82 and name HG2%)
3.700 1.700 1.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.11286E-02 ppm1 7.902 ppm2 1.136 CV 1
ASSI { 485}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 72 and name HG1%)
2.600 0.900 0.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.43348E-02 ppm1 7.902 ppm2 0.508 CV 1
ASSI { 486}
(( segid " " and resid 37 and name HD21))
(( segid " " and resid 32 and name HA ))
5.200 3.400 0.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.43156E-03 ppm1 7.902 ppm2 4.474 CV 1
ASSI { 488}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 72 and name HA ))
3.600 1.600 1.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.34948E-02 ppm1 7.903 ppm2 3.860 CV 1
ASSI { 489}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HG2 ))
3.800 1.800 1.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.21353E-02 ppm1 7.903 ppm2 2.615 CV 1
ASSI { 490}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HB2 ))
2.900 1.100 1.100 peak 490 spectrum 1 weight 0.10000E+01 volume 0.20199E-02 ppm1 7.903 ppm2 2.186 CV 1
ASSI { 491}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 75 and name HN ))
3.700 1.700 1.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.93621E-03 ppm1 7.904 ppm2 8.405 CV 1
ASSI { 493}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 109 and name HB3 ))
3.700 1.700 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.10581E-02 ppm1 7.905 ppm2 2.029 CV 1
ASSI { 494}
(( segid " " and resid 37 and name HD21))
(( segid " " and resid 33 and name HA2 ))
3.700 1.700 1.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.37321E-03 ppm1 7.905 ppm2 4.341 CV 1
ASSI { 495}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 60 and name HN ))
3.400 1.400 1.400 peak 495 spectrum 1 weight 0.10000E+01 volume 0.10196E-02 ppm1 7.906 ppm2 9.481 CV 1
ASSI { 496}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 108 and name HN ))
3.500 1.600 1.600 peak 496 spectrum 1 weight 0.10000E+01 volume 0.15454E-02 ppm1 7.906 ppm2 7.015 CV 1
ASSI { 497}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 108 and name HA ))
2.600 0.800 0.800 peak 497 spectrum 1 weight 0.10000E+01 volume 0.41425E-02 ppm1 7.906 ppm2 4.628 CV 1
ASSI { 498}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 109 and name HB2 ))
2.600 0.900 0.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.35589E-02 ppm1 7.906 ppm2 3.123 CV 1
ASSI { 499}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 60 and name HB2 ))
3.500 1.600 1.600 peak 499 spectrum 1 weight 0.10000E+01 volume 0.28215E-02 ppm1 7.906 ppm2 2.199 CV 1
ASSI { 501}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 108 and name HB2 ))
3.100 1.200 1.200 peak 501 spectrum 1 weight 0.10000E+01 volume 0.42771E-02 ppm1 7.907 ppm2 2.897 CV 1
ASSI { 502}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 109 and name HA ))
3.000 1.100 1.100 peak 502 spectrum 1 weight 0.10000E+01 volume 0.18019E-02 ppm1 7.908 ppm2 5.003 CV 1
ASSI { 503}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 110 and name HN ))
4.300 2.300 1.700 peak 503 spectrum 1 weight 0.10000E+01 volume 0.38154E-03 ppm1 7.909 ppm2 9.327 CV 1
ASSI { 505}
(( segid " " and resid 109 and name HN ))
( segid " " and resid 59 and name HD2%)
3.700 3.700 2.300 peak 505 spectrum 1 weight 0.10000E+01 volume 0.20841E-03 ppm1 7.911 ppm2 0.129 CV 1
ASSI { 506}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 99 and name HG2%)
4.700 2.700 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.43220E-03 ppm1 7.930 ppm2 0.982 CV 1
ASSI { 507}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 76 and name HN ))
3.900 1.900 1.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.69252E-03 ppm1 7.931 ppm2 9.069 CV 1
ASSI { 511}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HA ))
2.600 0.800 0.800 peak 511 spectrum 1 weight 0.10000E+01 volume 0.45080E-02 ppm1 7.933 ppm2 4.333 CV 1
ASSI { 512}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HB2 ))
2.600 0.800 0.800 peak 512 spectrum 1 weight 0.10000E+01 volume 0.50466E-02 ppm1 7.933 ppm2 3.976 CV 1
OR { 512}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HB3 ))
ASSI { 513}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HA1 ))
3.600 1.600 1.600 peak 513 spectrum 1 weight 0.10000E+01 volume 0.13210E-02 ppm1 7.933 ppm2 3.495 CV 1
ASSI { 514}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 76 and name HB2 ))
3.800 1.800 1.800 peak 514 spectrum 1 weight 0.10000E+01 volume 0.36102E-03 ppm1 7.933 ppm2 2.924 CV 1
ASSI { 515}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 76 and name HB3 ))
4.100 2.100 1.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.81439E-03 ppm1 7.933 ppm2 2.784 CV 1
ASSI { 516}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 102 and name HB% )
3.800 1.800 1.800 peak 516 spectrum 1 weight 0.10000E+01 volume 0.85283E-03 ppm1 7.934 ppm2 1.396 CV 1
ASSI { 517}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 76 and name HN ))
4.800 2.800 1.200 peak 517 spectrum 1 weight 0.10000E+01 volume 0.35589E-03 ppm1 7.973 ppm2 9.066 CV 1
ASSI { 518}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 79 and name HN ))
2.500 0.800 0.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.46747E-02 ppm1 7.977 ppm2 8.175 CV 1
ASSI { 519}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HA ))
3.000 1.100 1.100 peak 519 spectrum 1 weight 0.10000E+01 volume 0.22187E-02 ppm1 7.978 ppm2 4.583 CV 1
ASSI { 520}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HB3 ))
3.400 1.500 1.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.13338E-02 ppm1 7.978 ppm2 3.961 CV 1
OR { 520}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HB2 ))
ASSI { 521}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 76 and name HB2 ))
2.900 1.100 1.100 peak 521 spectrum 1 weight 0.10000E+01 volume 0.33601E-02 ppm1 7.978 ppm2 2.926 CV 1
ASSI { 522}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HB3 ))
3.400 1.500 1.500 peak 522 spectrum 1 weight 0.10000E+01 volume 0.17634E-02 ppm1 7.978 ppm2 2.613 CV 1
ASSI { 523}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 94 and name HA ))
2.900 1.000 1.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.25265E-02 ppm1 7.978 ppm2 4.615 CV 1
ASSI { 524}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 93 and name HB3 ))
5.000 3.100 1.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.17506E-03 ppm1 7.978 ppm2 3.361 CV 1
ASSI { 525}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HA ))
3.300 1.300 1.300 peak 525 spectrum 1 weight 0.10000E+01 volume 0.14685E-02 ppm1 7.979 ppm2 4.146 CV 1
ASSI { 526}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HB2 ))
3.700 1.700 1.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.50081E-03 ppm1 7.979 ppm2 3.069 CV 1
ASSI { 527}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 87 and name HN ))
3.200 1.300 1.300 peak 527 spectrum 1 weight 0.10000E+01 volume 0.12633E-02 ppm1 7.979 ppm2 8.227 CV 1
ASSI { 528}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 86 and name HA ))
5.900 4.400 0.100 peak 528 spectrum 1 weight 0.10000E+01 volume 0.88494E-04 ppm1 7.979 ppm2 5.237 CV 1
ASSI { 529}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 94 and name HB2 ))
2.400 0.700 0.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.69252E-02 ppm1 7.980 ppm2 4.081 CV 1
ASSI { 530}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 94 and name HB3 ))
3.000 1.100 1.100 peak 530 spectrum 1 weight 0.10000E+01 volume 0.45785E-02 ppm1 7.980 ppm2 3.736 CV 1
ASSI { 531}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 86 and name HG2 ))
3.500 1.500 1.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.14749E-02 ppm1 7.980 ppm2 2.244 CV 1
ASSI { 532}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 86 and name HG3 ))
3.200 1.300 1.300 peak 532 spectrum 1 weight 0.10000E+01 volume 0.17506E-02 ppm1 7.980 ppm2 2.070 CV 1
ASSI { 533}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 79 and name HA1 ))
6.000 6.000 0.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.45400E-04 ppm1 7.980 ppm2 3.498 CV 1
ASSI { 534}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 76 and name HB3 ))
2.600 0.900 0.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.32703E-02 ppm1 7.981 ppm2 2.796 CV 1
ASSI { 536}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 95 and name HN ))
4.000 2.000 2.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.69252E-03 ppm1 7.981 ppm2 8.858 CV 1
ASSI { 537}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 93 and name HA ))
3.200 1.300 1.300 peak 537 spectrum 1 weight 0.10000E+01 volume 0.14108E-02 ppm1 7.982 ppm2 4.478 CV 1
ASSI { 539}
(( segid " " and resid 94 and name HN ))
( segid " " and resid 95 and name HG1%)
4.700 2.800 1.300 peak 539 spectrum 1 weight 0.10000E+01 volume 0.34371E-03 ppm1 7.983 ppm2 0.797 CV 1
ASSI { 540}
(( segid " " and resid 34 and name HD21))
(( segid " " and resid 34 and name HD22))
2.100 0.500 0.500 peak 540 spectrum 1 weight 0.10000E+01 volume 0.10324E-01 ppm1 7.996 ppm2 7.242 CV 1
ASSI { 541}
(( segid " " and resid 34 and name HD21))
(( segid " " and resid 34 and name HB3 ))
3.100 1.200 1.200 peak 541 spectrum 1 weight 0.10000E+01 volume 0.21033E-02 ppm1 7.997 ppm2 2.949 CV 1
ASSI { 542}
(( segid " " and resid 34 and name HD21))
(( segid " " and resid 34 and name HB2 ))
3.900 1.900 1.900 peak 542 spectrum 1 weight 0.10000E+01 volume 0.30523E-03 ppm1 7.999 ppm2 3.254 CV 1
ASSI { 543}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 42 and name HB% )
4.700 2.800 1.300 peak 543 spectrum 1 weight 0.10000E+01 volume 0.28664E-03 ppm1 8.006 ppm2 0.929 CV 1
ASSI { 544}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HA2 ))
2.100 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.15134E-01 ppm1 8.006 ppm2 3.939 CV 1
ASSI { 547}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 45 and name HB% )
4.400 2.400 1.600 peak 547 spectrum 1 weight 0.10000E+01 volume 0.60598E-03 ppm1 8.008 ppm2 1.856 CV 1
ASSI { 548}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HG2 ))
4.700 2.800 1.300 peak 548 spectrum 1 weight 0.10000E+01 volume 0.44695E-03 ppm1 8.008 ppm2 2.542 CV 1
ASSI { 549}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB3 ))
2.600 0.800 0.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.50209E-02 ppm1 8.009 ppm2 2.104 CV 1
OR { 549}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB2 ))
ASSI { 550}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 42 and name HA ))
4.200 2.200 1.800 peak 550 spectrum 1 weight 0.10000E+01 volume 0.33666E-03 ppm1 8.009 ppm2 3.286 CV 1
ASSI { 551}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 41 and name HB% )
3.400 1.500 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.35397E-03 ppm1 8.009 ppm2 0.418 CV 1
ASSI { 552}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 41 and name HA ))
3.200 1.300 1.300 peak 552 spectrum 1 weight 0.10000E+01 volume 0.12761E-02 ppm1 8.009 ppm2 3.646 CV 1
ASSI { 553}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HG3 ))
4.500 2.500 1.500 peak 553 spectrum 1 weight 0.10000E+01 volume 0.50274E-03 ppm1 8.010 ppm2 2.369 CV 1
ASSI { 554}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 40 and name HB% )
3.500 1.600 1.600 peak 554 spectrum 1 weight 0.10000E+01 volume 0.27830E-03 ppm1 8.010 ppm2 1.347 CV 1
ASSI { 555}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HA ))
3.400 1.500 1.500 peak 555 spectrum 1 weight 0.10000E+01 volume 0.10196E-02 ppm1 8.010 ppm2 4.342 CV 1
ASSI { 556}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HA1 ))
2.800 1.000 1.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.55978E-02 ppm1 8.011 ppm2 3.815 CV 1
ASSI { 557}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HN ))
3.000 1.200 1.200 peak 557 spectrum 1 weight 0.10000E+01 volume 0.19301E-02 ppm1 8.043 ppm2 8.904 CV 1
ASSI { 558}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 61 and name HA ))
3.700 1.700 1.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.92338E-03 ppm1 8.043 ppm2 4.955 CV 1
ASSI { 559}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HA ))
3.200 1.300 1.300 peak 559 spectrum 1 weight 0.10000E+01 volume 0.14428E-02 ppm1 8.043 ppm2 4.553 CV 1
ASSI { 560}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HG2 ))
2.700 0.900 0.900 peak 560 spectrum 1 weight 0.10000E+01 volume 0.49568E-02 ppm1 8.043 ppm2 2.196 CV 1
OR { 560}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HG3 ))
ASSI { 561}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB3 ))
2.500 0.800 0.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.78234E-02 ppm1 8.043 ppm2 2.009 CV 1
OR { 561}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB2 ))
ASSI { 562}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HA ))
2.600 0.900 0.900 peak 562 spectrum 1 weight 0.10000E+01 volume 0.47516E-02 ppm1 8.044 ppm2 4.210 CV 1
ASSI { 563}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 38 and name HB3 ))
3.900 1.900 1.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.91055E-03 ppm1 8.044 ppm2 3.188 CV 1
OR { 563}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 38 and name HB2 ))
ASSI { 564}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 68 and name HN ))
3.400 3.400 2.600 peak 564 spectrum 1 weight 0.10000E+01 volume 0.11863E-02 ppm1 8.046 ppm2 8.607 CV 1
ASSI { 568}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HA ))
2.600 0.900 0.900 peak 568 spectrum 1 weight 0.10000E+01 volume 0.53608E-02 ppm1 8.058 ppm2 3.992 CV 1
ASSI { 570}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HB2 ))
4.700 2.800 1.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.49504E-03 ppm1 8.059 ppm2 2.509 CV 1
ASSI { 571}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 37 and name HA ))
3.700 1.700 1.700 peak 571 spectrum 1 weight 0.10000E+01 volume 0.62459E-03 ppm1 8.060 ppm2 5.058 CV 1
ASSI { 572}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 40 and name HB% )
2.400 0.700 0.700 peak 572 spectrum 1 weight 0.10000E+01 volume 0.71179E-02 ppm1 8.060 ppm2 1.349 CV 1
ASSI { 573}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 39 and name HB% )
2.900 1.100 1.100 peak 573 spectrum 1 weight 0.10000E+01 volume 0.25970E-02 ppm1 8.060 ppm2 1.195 CV 1
ASSI { 575}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 42 and name HB% )
3.800 1.800 1.800 peak 575 spectrum 1 weight 0.10000E+01 volume 0.58801E-03 ppm1 8.060 ppm2 0.906 CV 1
ASSI { 577}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 41 and name HB% )
4.500 2.600 1.500 peak 577 spectrum 1 weight 0.10000E+01 volume 0.52133E-03 ppm1 8.062 ppm2 0.428 CV 1
ASSI { 578}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HB2 ))
4.000 2.000 2.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.40719E-03 ppm1 8.065 ppm2 3.698 CV 1
OR { 578}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HB3 ))
ASSI { 579}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 15 and name HE22))
5.500 3.700 0.500 peak 579 spectrum 1 weight 0.10000E+01 volume 0.23598E-03 ppm1 8.154 ppm2 6.824 CV 1
ASSI { 581}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HN ))
4.200 2.200 1.800 peak 581 spectrum 1 weight 0.10000E+01 volume 0.39693E-03 ppm1 8.156 ppm2 4.980 CV 1
ASSI { 582}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 18 and name HD1 ))
3.800 1.800 1.800 peak 582 spectrum 1 weight 0.10000E+01 volume 0.51492E-03 ppm1 8.157 ppm2 7.335 CV 1
ASSI { 583}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
2.000 2.000 4.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.15134E-01 ppm1 8.158 ppm2 3.687 CV 1
ASSI { 584}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 12 and name HG2%)
2.700 0.900 0.900 peak 584 spectrum 1 weight 0.10000E+01 volume 0.43669E-02 ppm1 8.158 ppm2 1.096 CV 1
ASSI { 586}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 13 and name HB% )
2.300 0.700 0.700 peak 586 spectrum 1 weight 0.10000E+01 volume 0.94904E-02 ppm1 8.158 ppm2 0.841 CV 1
ASSI { 587}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HB2 ))
4.600 2.700 1.400 peak 587 spectrum 1 weight 0.10000E+01 volume 0.21097E-03 ppm1 8.168 ppm2 3.068 CV 1
ASSI { 588}
(( segid " " and resid 103 and name HN ))
( segid " " and resid 102 and name HB% )
3.300 1.400 1.400 peak 588 spectrum 1 weight 0.10000E+01 volume 0.11286E-02 ppm1 8.172 ppm2 1.399 CV 1
ASSI { 589}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HG2%)
4.000 2.000 2.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.55661E-03 ppm1 8.173 ppm2 1.147 CV 1
ASSI { 591}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 103 and name HA ))
3.500 1.500 1.500 peak 591 spectrum 1 weight 0.10000E+01 volume 0.89777E-03 ppm1 8.176 ppm2 4.205 CV 1
ASSI { 592}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HD1%)
5.000 3.100 1.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.21353E-03 ppm1 8.178 ppm2 0.820 CV 1
ASSI { 593}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 80 and name HB2 ))
3.300 1.400 1.400 peak 593 spectrum 1 weight 0.10000E+01 volume 0.13723E-02 ppm1 8.178 ppm2 3.977 CV 1
OR { 593}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 80 and name HB3 ))
ASSI { 595}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
3.000 1.200 1.200 peak 595 spectrum 1 weight 0.10000E+01 volume 0.19622E-02 ppm1 8.179 ppm2 4.505 CV 1
ASSI { 596}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
3.900 1.900 1.900 peak 596 spectrum 1 weight 0.10000E+01 volume 0.43669E-03 ppm1 8.179 ppm2 4.217 CV 1
ASSI { 597}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB ))
3.500 1.500 1.500 peak 597 spectrum 1 weight 0.10000E+01 volume 0.92982E-03 ppm1 8.179 ppm2 1.827 CV 1
ASSI { 598}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 103 and name HB2 ))
3.400 1.400 1.400 peak 598 spectrum 1 weight 0.10000E+01 volume 0.10965E-02 ppm1 8.179 ppm2 3.901 CV 1
OR { 598}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 103 and name HB3 ))
ASSI { 599}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB3 ))
4.100 2.100 1.900 peak 599 spectrum 1 weight 0.10000E+01 volume 0.51364E-03 ppm1 8.180 ppm2 3.873 CV 1
OR { 599}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB2 ))
ASSI { 600}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HA1 ))
2.300 0.600 0.600 peak 600 spectrum 1 weight 0.10000E+01 volume 0.91055E-02 ppm1 8.180 ppm2 3.494 CV 1
ASSI { 601}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 76 and name HB3 ))
4.400 2.500 1.600 peak 601 spectrum 1 weight 0.10000E+01 volume 0.46042E-03 ppm1 8.180 ppm2 2.780 CV 1
ASSI { 603}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HA ))
3.200 1.300 1.300 peak 603 spectrum 1 weight 0.10000E+01 volume 0.14492E-02 ppm1 8.181 ppm2 4.585 CV 1
ASSI { 604}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HA2 ))
2.700 0.900 0.900 peak 604 spectrum 1 weight 0.10000E+01 volume 0.66691E-02 ppm1 8.181 ppm2 4.263 CV 1
ASSI { 605}
(( segid " " and resid 79 and name HN ))
( segid " " and resid 75 and name HG2%)
3.400 1.400 1.400 peak 605 spectrum 1 weight 0.10000E+01 volume 0.11607E-02 ppm1 8.181 ppm2 0.813 CV 1
ASSI { 606}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 76 and name HB2 ))
3.200 1.300 1.300 peak 606 spectrum 1 weight 0.10000E+01 volume 0.14685E-02 ppm1 8.181 ppm2 2.961 CV 1
ASSI { 607}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HB3 ))
4.400 2.400 1.600 peak 607 spectrum 1 weight 0.10000E+01 volume 0.44887E-03 ppm1 8.181 ppm2 2.623 CV 1
ASSI { 608}
(( segid " " and resid 79 and name HN ))
( segid " " and resid 102 and name HB% )
4.400 2.400 1.600 peak 608 spectrum 1 weight 0.10000E+01 volume 0.57201E-03 ppm1 8.182 ppm2 1.396 CV 1
ASSI { 609}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 76 and name HN ))
3.900 1.900 1.900 peak 609 spectrum 1 weight 0.10000E+01 volume 0.57906E-03 ppm1 8.182 ppm2 9.077 CV 1
ASSI { 610}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 65 and name HD3 ))
4.100 2.100 1.900 peak 610 spectrum 1 weight 0.10000E+01 volume 0.73101E-03 ppm1 8.201 ppm2 3.440 CV 1
ASSI { 611}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HA2 ))
2.800 1.000 1.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.35589E-02 ppm1 8.201 ppm2 4.373 CV 1
ASSI { 612}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HA ))
2.300 0.700 0.700 peak 612 spectrum 1 weight 0.10000E+01 volume 0.10452E-01 ppm1 8.201 ppm2 4.218 CV 1
ASSI { 613}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HA1 ))
2.400 0.700 0.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.77590E-02 ppm1 8.202 ppm2 3.796 CV 1
ASSI { 616}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 15 and name HE21))
2.700 2.700 3.300 peak 616 spectrum 1 weight 0.10000E+01 volume 0.14556E-02 ppm1 8.218 ppm2 7.748 CV 1
ASSI { 617}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 113 and name HA ))
2.700 0.900 0.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.36743E-02 ppm1 8.224 ppm2 4.308 CV 1
ASSI { 618}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 112 and name HB2 ))
3.000 1.100 1.100 peak 618 spectrum 1 weight 0.10000E+01 volume 0.32960E-02 ppm1 8.224 ppm2 3.183 CV 1
ASSI { 619}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 113 and name HG12))
2.900 1.000 1.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.22315E-02 ppm1 8.224 ppm2 1.441 CV 1
ASSI { 620}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 111 and name HG13))
2.300 2.300 3.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.35461E-02 ppm1 8.224 ppm2 0.836 CV 1
OR { 620}
(( segid " " and resid 113 and name HN ))
( segid " " and resid 111 and name HD1%)
ASSI { 621}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 112 and name HA ))
2.100 0.600 0.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.14171E-01 ppm1 8.225 ppm2 4.555 CV 1
ASSI { 622}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 113 and name HB ))
2.500 0.800 0.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.57775E-02 ppm1 8.225 ppm2 1.852 CV 1
ASSI { 623}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 73 and name HN ))
3.800 1.800 1.800 peak 623 spectrum 1 weight 0.10000E+01 volume 0.89133E-03 ppm1 8.225 ppm2 8.820 CV 1
ASSI { 624}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 57 and name HN ))
3.600 1.600 1.600 peak 624 spectrum 1 weight 0.10000E+01 volume 0.12568E-02 ppm1 8.225 ppm2 7.412 CV 1
ASSI { 625}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 112 and name HN ))
3.900 1.900 1.900 peak 625 spectrum 1 weight 0.10000E+01 volume 0.71179E-03 ppm1 8.225 ppm2 8.714 CV 1
ASSI { 626}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HB ))
2.200 0.600 0.600 peak 626 spectrum 1 weight 0.10000E+01 volume 0.86566E-02 ppm1 8.226 ppm2 2.205 CV 1
ASSI { 628}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HN ))
4.400 2.400 1.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.38667E-03 ppm1 8.227 ppm2 9.309 CV 1
ASSI { 629}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 56 and name HN ))
3.900 1.900 1.900 peak 629 spectrum 1 weight 0.10000E+01 volume 0.64125E-03 ppm1 8.228 ppm2 8.959 CV 1
ASSI { 630}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HA ))
2.000 0.500 0.500 peak 630 spectrum 1 weight 0.10000E+01 volume 0.87211E-02 ppm1 8.228 ppm2 4.888 CV 1
ASSI { 633}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 72 and name HG2%)
2.200 0.600 0.600 peak 633 spectrum 1 weight 0.10000E+01 volume 0.71179E-02 ppm1 8.228 ppm2 0.813 CV 1
ASSI { 634}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 72 and name HG1%)
3.700 1.700 1.700 peak 634 spectrum 1 weight 0.10000E+01 volume 0.18147E-02 ppm1 8.228 ppm2 0.507 CV 1
ASSI { 635}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 71 and name HD% )
3.900 1.900 1.900 peak 635 spectrum 1 weight 0.10000E+01 volume 0.38988E-03 ppm1 8.228 ppm2 6.705 CV 1
ASSI { 637}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 83 and name HA ))
5.400 3.600 0.600 peak 637 spectrum 1 weight 0.10000E+01 volume 0.15390E-03 ppm1 8.230 ppm2 5.628 CV 1
ASSI { 638}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 39 and name HB% )
4.800 2.900 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.30588E-03 ppm1 8.234 ppm2 1.181 CV 1
ASSI { 639}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 39 and name HB% )
6.000 4.900 0.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.65408E-04 ppm1 8.236 ppm2 1.196 CV 1
ASSI { 641}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 60 and name HG3 ))
4.300 2.300 1.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.56748E-03 ppm1 8.239 ppm2 2.364 CV 1
ASSI { 642}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HA ))
3.200 1.300 1.300 peak 642 spectrum 1 weight 0.10000E+01 volume 0.13082E-02 ppm1 8.240 ppm2 5.053 CV 1
ASSI { 643}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 35 and name HB% )
4.400 2.500 1.600 peak 643 spectrum 1 weight 0.10000E+01 volume 0.39373E-03 ppm1 8.240 ppm2 1.069 CV 1
ASSI { 644}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 60 and name HE21))
3.300 1.300 1.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.11991E-02 ppm1 8.241 ppm2 7.447 CV 1
ASSI { 645}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB2 ))
2.300 0.700 0.700 peak 645 spectrum 1 weight 0.10000E+01 volume 0.71179E-02 ppm1 8.241 ppm2 3.167 CV 1
OR { 645}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB3 ))
ASSI { 646}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 41 and name HB% )
4.200 2.200 1.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.41168E-03 ppm1 8.241 ppm2 0.431 CV 1
ASSI { 647}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HN ))
2.400 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.58419E-02 ppm1 8.242 ppm2 8.845 CV 1
ASSI { 649}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 60 and name HE22))
3.500 1.600 1.600 peak 649 spectrum 1 weight 0.10000E+01 volume 0.94904E-03 ppm1 8.242 ppm2 6.494 CV 1
ASSI { 650}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HA ))
2.700 0.900 0.900 peak 650 spectrum 1 weight 0.10000E+01 volume 0.33601E-02 ppm1 8.242 ppm2 4.176 CV 1
ASSI { 651}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 35 and name HA ))
3.000 1.100 1.100 peak 651 spectrum 1 weight 0.10000E+01 volume 0.23982E-02 ppm1 8.242 ppm2 2.926 CV 1
ASSI { 652}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HE1 ))
4.600 2.600 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.43605E-03 ppm1 8.243 ppm2 9.655 CV 1
ASSI { 653}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB2 ))
3.700 1.700 1.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.14813E-02 ppm1 8.243 ppm2 3.581 CV 1
ASSI { 654}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 69 and name HG1%)
4.300 2.400 1.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.50979E-03 ppm1 8.243 ppm2 0.595 CV 1
ASSI { 655}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 36 and name HB3 ))
4.200 2.200 1.800 peak 655 spectrum 1 weight 0.10000E+01 volume 0.59314E-03 ppm1 8.244 ppm2 2.442 CV 1
ASSI { 656}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 37 and name HD21))
3.400 1.400 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.10388E-02 ppm1 8.245 ppm2 7.876 CV 1
ASSI { 657}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 38 and name HA ))
3.100 1.200 1.200 peak 657 spectrum 1 weight 0.10000E+01 volume 0.16288E-02 ppm1 8.247 ppm2 4.179 CV 1
ASSI { 658}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HA ))
2.700 0.900 0.900 peak 658 spectrum 1 weight 0.10000E+01 volume 0.43220E-02 ppm1 8.247 ppm2 3.634 CV 1
ASSI { 659}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HN ))
2.500 0.800 0.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.62263E-02 ppm1 8.248 ppm2 8.061 CV 1
ASSI { 661}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HA ))
3.400 1.400 1.400 peak 661 spectrum 1 weight 0.10000E+01 volume 0.16160E-02 ppm1 8.248 ppm2 3.988 CV 1
ASSI { 662}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 40 and name HB% )
2.800 1.000 1.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.26740E-02 ppm1 8.248 ppm2 1.350 CV 1
ASSI { 663}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 41 and name HB% )
2.200 0.600 0.600 peak 663 spectrum 1 weight 0.10000E+01 volume 0.11030E-01 ppm1 8.248 ppm2 0.430 CV 1
ASSI { 664}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 39 and name HN ))
3.900 1.900 1.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.73746E-03 ppm1 8.249 ppm2 7.150 CV 1
ASSI { 665}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 42 and name HB% )
4.000 2.000 2.000 peak 665 spectrum 1 weight 0.10000E+01 volume 0.80156E-03 ppm1 8.249 ppm2 0.913 CV 1
ASSI { 666}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 37 and name HD22))
4.000 2.000 2.000 peak 666 spectrum 1 weight 0.10000E+01 volume 0.40911E-03 ppm1 8.249 ppm2 6.913 CV 1
ASSI { 667}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 37 and name HA ))
4.000 2.000 2.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.42450E-03 ppm1 8.249 ppm2 5.054 CV 1
ASSI { 668}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 32 and name HB2 ))
5.800 4.300 0.200 peak 668 spectrum 1 weight 0.10000E+01 volume 0.88494E-04 ppm1 8.249 ppm2 2.602 CV 1
OR { 668}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 32 and name HB3 ))
ASSI { 669}
(( segid " " and resid 87 and name HN ))
( segid " " and resid 95 and name HG1%)
4.700 2.700 1.300 peak 669 spectrum 1 weight 0.10000E+01 volume 0.40847E-03 ppm1 8.249 ppm2 0.795 CV 1
ASSI { 670}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HB3 ))
3.600 1.600 1.600 peak 670 spectrum 1 weight 0.10000E+01 volume 0.87849E-03 ppm1 8.251 ppm2 1.381 CV 1
ASSI { 671}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 96 and name HA ))
3.500 3.500 2.500 peak 671 spectrum 1 weight 0.10000E+01 volume 0.15326E-02 ppm1 8.251 ppm2 4.773 CV 1
ASSI { 673}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HA ))
2.200 0.600 0.600 peak 673 spectrum 1 weight 0.10000E+01 volume 0.82078E-02 ppm1 8.252 ppm2 5.255 CV 1
ASSI { 674}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HA ))
2.300 0.700 0.700 peak 674 spectrum 1 weight 0.10000E+01 volume 0.78873E-02 ppm1 8.252 ppm2 4.200 CV 1
ASSI { 675}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HB3 ))
3.100 1.200 1.200 peak 675 spectrum 1 weight 0.10000E+01 volume 0.20904E-02 ppm1 8.252 ppm2 2.448 CV 1
ASSI { 676}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HG3 ))
2.800 0.900 0.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.30716E-02 ppm1 8.252 ppm2 2.071 CV 1
ASSI { 677}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HB2 ))
4.800 2.900 1.200 peak 677 spectrum 1 weight 0.10000E+01 volume 0.30395E-03 ppm1 8.252 ppm2 1.640 CV 1
ASSI { 678}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HG2 ))
3.000 1.100 1.100 peak 678 spectrum 1 weight 0.10000E+01 volume 0.25714E-02 ppm1 8.253 ppm2 2.245 CV 1
ASSI { 679}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 38 and name HB3 ))
4.600 2.600 1.400 peak 679 spectrum 1 weight 0.10000E+01 volume 0.15582E-03 ppm1 8.253 ppm2 3.144 CV 1
OR { 679}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 38 and name HB2 ))
ASSI { 681}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HB2 ))
3.000 1.100 1.100 peak 681 spectrum 1 weight 0.10000E+01 volume 0.22956E-02 ppm1 8.254 ppm2 3.549 CV 1
ASSI { 682}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 7 and name HA ))
3.600 1.600 1.600 peak 682 spectrum 1 weight 0.10000E+01 volume 0.98754E-03 ppm1 8.272 ppm2 4.433 CV 1
ASSI { 683}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HG13))
4.600 2.700 1.400 peak 683 spectrum 1 weight 0.10000E+01 volume 0.26163E-03 ppm1 8.274 ppm2 1.387 CV 1
OR { 683}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HG12))
ASSI { 684}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
3.300 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.12504E-02 ppm1 8.275 ppm2 4.212 CV 1
ASSI { 685}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA ))
3.600 1.700 1.700 peak 685 spectrum 1 weight 0.10000E+01 volume 0.66047E-03 ppm1 8.275 ppm2 3.426 CV 1
ASSI { 686}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA2 ))
2.900 1.100 1.100 peak 686 spectrum 1 weight 0.10000E+01 volume 0.23470E-02 ppm1 8.277 ppm2 3.982 CV 1
ASSI { 687}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB3 ))
3.200 1.300 1.300 peak 687 spectrum 1 weight 0.10000E+01 volume 0.14749E-02 ppm1 8.277 ppm2 2.450 CV 1
ASSI { 688}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HN ))
3.200 1.300 1.300 peak 688 spectrum 1 weight 0.10000E+01 volume 0.19430E-02 ppm1 8.279 ppm2 8.474 CV 1
ASSI { 689}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB2 ))
2.900 1.100 1.100 peak 689 spectrum 1 weight 0.10000E+01 volume 0.25522E-02 ppm1 8.279 ppm2 3.204 CV 1
ASSI { 690}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HA ))
2.800 1.000 1.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.25522E-02 ppm1 8.279 ppm2 4.625 CV 1
ASSI { 691}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 42 and name HA ))
3.400 1.500 1.500 peak 691 spectrum 1 weight 0.10000E+01 volume 0.12889E-02 ppm1 8.279 ppm2 3.265 CV 1
ASSI { 693}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 45 and name HN ))
3.400 1.500 1.500 peak 693 spectrum 1 weight 0.10000E+01 volume 0.24752E-02 ppm1 8.281 ppm2 7.544 CV 1
ASSI { 695}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 48 and name HN ))
4.400 2.400 1.600 peak 695 spectrum 1 weight 0.10000E+01 volume 0.58736E-03 ppm1 8.282 ppm2 9.252 CV 1
ASSI { 696}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 43 and name HA ))
2.700 0.900 0.900 peak 696 spectrum 1 weight 0.10000E+01 volume 0.28022E-02 ppm1 8.282 ppm2 4.343 CV 1
ASSI { 697}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA2 ))
3.500 1.500 1.500 peak 697 spectrum 1 weight 0.10000E+01 volume 0.15711E-02 ppm1 8.282 ppm2 4.197 CV 1
ASSI { 698}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA1 ))
3.100 1.200 1.200 peak 698 spectrum 1 weight 0.10000E+01 volume 0.19109E-02 ppm1 8.282 ppm2 3.751 CV 1
ASSI { 699}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB2 ))
2.500 2.500 3.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.30395E-02 ppm1 8.282 ppm2 3.065 CV 1
ASSI { 700}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB3 ))
2.900 1.100 1.100 peak 700 spectrum 1 weight 0.10000E+01 volume 0.64764E-02 ppm1 8.282 ppm2 2.683 CV 1
ASSI { 701}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 45 and name HB% )
3.400 1.400 1.400 peak 701 spectrum 1 weight 0.10000E+01 volume 0.15134E-02 ppm1 8.282 ppm2 1.850 CV 1
ASSI { 702}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 42 and name HB% )
3.700 1.700 1.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.17121E-02 ppm1 8.282 ppm2 0.920 CV 1
ASSI { 705}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 104 and name HA ))
3.000 1.100 1.100 peak 705 spectrum 1 weight 0.10000E+01 volume 0.23534E-02 ppm1 8.285 ppm2 4.249 CV 1
ASSI { 706}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 105 and name HA ))
2.600 0.800 0.800 peak 706 spectrum 1 weight 0.10000E+01 volume 0.47388E-02 ppm1 8.285 ppm2 4.062 CV 1
ASSI { 707}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 104 and name HB3 ))
3.300 1.400 1.400 peak 707 spectrum 1 weight 0.10000E+01 volume 0.17314E-02 ppm1 8.285 ppm2 2.035 CV 1
ASSI { 708}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 43 and name HB3 ))
4.300 2.300 1.700 peak 708 spectrum 1 weight 0.10000E+01 volume 0.40399E-03 ppm1 8.285 ppm2 2.108 CV 1
ASSI { 709}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 108 and name HN ))
4.900 3.000 1.100 peak 709 spectrum 1 weight 0.10000E+01 volume 0.18853E-03 ppm1 8.285 ppm2 6.996 CV 1
ASSI { 710}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 104 and name HN ))
2.200 0.600 0.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.92982E-02 ppm1 8.286 ppm2 7.553 CV 1
ASSI { 711}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 104 and name HB2 ))
3.000 1.100 1.100 peak 711 spectrum 1 weight 0.10000E+01 volume 0.24816E-02 ppm1 8.286 ppm2 2.199 CV 1
ASSI { 712}
(( segid " " and resid 105 and name HN ))
( segid " " and resid 105 and name HB% )
2.300 0.700 0.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.75668E-02 ppm1 8.286 ppm2 1.516 CV 1
ASSI { 713}
(( segid " " and resid 105 and name HN ))
( segid " " and resid 100 and name HG2%)
2.900 1.000 1.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.25650E-02 ppm1 8.286 ppm2 1.032 CV 1
ASSI { 714}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 111 and name HG2%)
4.500 2.600 1.500 peak 714 spectrum 1 weight 0.10000E+01 volume 0.69896E-03 ppm1 8.286 ppm2 0.719 CV 1
ASSI { 715}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 102 and name HA ))
3.000 1.100 1.100 peak 715 spectrum 1 weight 0.10000E+01 volume 0.25265E-02 ppm1 8.287 ppm2 3.905 CV 1
ASSI { 716}
(( segid " " and resid 105 and name HN ))
( segid " " and resid 81 and name HG1%)
3.200 3.200 2.800 peak 716 spectrum 1 weight 0.10000E+01 volume 0.49697E-03 ppm1 8.287 ppm2 0.862 CV 1
ASSI { 717}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 97 and name HA ))
2.800 1.000 1.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.29241E-02 ppm1 8.294 ppm2 5.608 CV 1
ASSI { 718}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 96 and name HA ))
2.200 0.600 0.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.12633E-01 ppm1 8.294 ppm2 4.806 CV 1
ASSI { 719}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 96 and name HB2 ))
3.000 3.000 3.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.68613E-02 ppm1 8.294 ppm2 4.095 CV 1
ASSI { 720}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 94 and name HB3 ))
2.000 2.000 4.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.89777E-02 ppm1 8.294 ppm2 3.742 CV 1
ASSI { 722}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 85 and name HN ))
4.900 3.000 1.100 peak 722 spectrum 1 weight 0.10000E+01 volume 0.11222E-03 ppm1 8.295 ppm2 8.824 CV 1
ASSI { 723}
(( segid " " and resid 97 and name HN ))
( segid " " and resid 95 and name HG2%)
3.500 1.500 1.500 peak 723 spectrum 1 weight 0.10000E+01 volume 0.29177E-03 ppm1 8.295 ppm2 0.834 CV 1
ASSI { 724}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 98 and name HG2 ))
5.100 3.300 0.900 peak 724 spectrum 1 weight 0.10000E+01 volume 0.98109E-04 ppm1 8.297 ppm2 1.332 CV 1
OR { 724}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 98 and name HG3 ))
ASSI { 725}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 18 and name HN ))
5.300 3.500 0.700 peak 725 spectrum 1 weight 0.10000E+01 volume 0.22700E-03 ppm1 8.320 ppm2 6.627 CV 1
ASSI { 726}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 18 and name HD1 ))
4.100 2.100 1.900 peak 726 spectrum 1 weight 0.10000E+01 volume 0.69252E-03 ppm1 8.321 ppm2 7.335 CV 1
ASSI { 727}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 9 and name HD22))
4.900 3.000 1.100 peak 727 spectrum 1 weight 0.10000E+01 volume 0.37321E-03 ppm1 8.323 ppm2 6.151 CV 1
ASSI { 728}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB3 ))
2.600 0.800 0.800 peak 728 spectrum 1 weight 0.10000E+01 volume 0.26868E-02 ppm1 8.324 ppm2 2.950 CV 1
ASSI { 729}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 15 and name HG2 ))
4.700 2.800 1.300 peak 729 spectrum 1 weight 0.10000E+01 volume 0.46170E-03 ppm1 8.325 ppm2 2.219 CV 1
OR { 729}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 15 and name HB3 ))
ASSI { 730}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 12 and name HG2%)
3.600 1.600 1.600 peak 730 spectrum 1 weight 0.10000E+01 volume 0.18917E-02 ppm1 8.325 ppm2 1.093 CV 1
ASSI { 731}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
2.300 0.700 0.700 peak 731 spectrum 1 weight 0.10000E+01 volume 0.88494E-02 ppm1 8.325 ppm2 4.320 CV 1
ASSI { 732}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB ))
2.200 0.600 0.600 peak 732 spectrum 1 weight 0.10000E+01 volume 0.10709E-01 ppm1 8.325 ppm2 3.685 CV 1
OR { 732}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
ASSI { 733}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 11 and name HD% )
2.300 0.700 0.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.58162E-02 ppm1 8.327 ppm2 7.200 CV 1
ASSI { 734}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 92 and name HD3 ))
4.100 2.100 1.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.13787E-02 ppm1 8.331 ppm2 3.553 CV 1
OR { 734}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 92 and name HD2 ))
ASSI { 735}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 91 and name HA1 ))
2.600 0.900 0.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.67330E-02 ppm1 8.332 ppm2 3.984 CV 1
ASSI { 736}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 87 and name HA ))
2.800 2.800 3.200 peak 736 spectrum 1 weight 0.10000E+01 volume 0.32575E-02 ppm1 8.333 ppm2 4.172 CV 1
ASSI { 737}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 94 and name HB3 ))
3.600 1.600 1.600 peak 737 spectrum 1 weight 0.10000E+01 volume 0.12889E-02 ppm1 8.333 ppm2 3.731 CV 1
ASSI { 740}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 110 and name HA ))
4.100 2.100 1.900 peak 740 spectrum 1 weight 0.10000E+01 volume 0.77590E-03 ppm1 8.340 ppm2 5.322 CV 1
ASSI { 743}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HB ))
2.200 2.200 3.800 peak 743 spectrum 1 weight 0.10000E+01 volume 0.82722E-02 ppm1 8.343 ppm2 1.989 CV 1
ASSI { 744}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 57 and name HB% )
2.100 0.500 0.500 peak 744 spectrum 1 weight 0.10000E+01 volume 0.11863E-01 ppm1 8.343 ppm2 1.089 CV 1
ASSI { 745}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 72 and name HG2%)
2.800 1.000 1.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.37513E-02 ppm1 8.343 ppm2 0.829 CV 1
ASSI { 746}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HG12))
2.800 1.000 1.000 peak 746 spectrum 1 weight 0.10000E+01 volume 0.36615E-02 ppm1 8.344 ppm2 1.835 CV 1
ASSI { 747}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HB3 ))
3.500 1.600 1.600 peak 747 spectrum 1 weight 0.10000E+01 volume 0.14941E-02 ppm1 8.350 ppm2 1.815 CV 1
ASSI { 748}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 94 and name HN ))
2.900 1.100 1.100 peak 748 spectrum 1 weight 0.10000E+01 volume 0.19878E-02 ppm1 8.351 ppm2 7.979 CV 1
ASSI { 749}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HA ))
2.300 0.700 0.700 peak 749 spectrum 1 weight 0.10000E+01 volume 0.66047E-02 ppm1 8.351 ppm2 4.477 CV 1
ASSI { 750}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HA ))
2.200 0.600 0.600 peak 750 spectrum 1 weight 0.10000E+01 volume 0.84005E-02 ppm1 8.351 ppm2 4.017 CV 1
ASSI { 751}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 86 and name HG2 ))
2.700 0.900 0.900 peak 751 spectrum 1 weight 0.10000E+01 volume 0.64764E-02 ppm1 8.351 ppm2 2.257 CV 1
ASSI { 752}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HB3 ))
4.700 2.800 1.300 peak 752 spectrum 1 weight 0.10000E+01 volume 0.34627E-03 ppm1 8.352 ppm2 3.374 CV 1
ASSI { 753}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 86 and name HG3 ))
3.400 1.500 1.500 peak 753 spectrum 1 weight 0.10000E+01 volume 0.28215E-02 ppm1 8.352 ppm2 2.045 CV 1
ASSI { 754}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HB2 ))
3.300 1.400 1.400 peak 754 spectrum 1 weight 0.10000E+01 volume 0.13082E-02 ppm1 8.353 ppm2 3.600 CV 1
ASSI { 756}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 107 and name HB3 ))
4.200 2.200 1.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.43797E-03 ppm1 8.358 ppm2 2.478 CV 1
ASSI { 759}
(( segid " " and resid 93 and name HN ))
( segid " " and resid 93 and name HD% )
4.800 2.900 1.200 peak 759 spectrum 1 weight 0.10000E+01 volume 0.13402E-03 ppm1 8.361 ppm2 7.147 CV 1
ASSI { 761}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 106 and name HA2 ))
2.600 0.900 0.900 peak 761 spectrum 1 weight 0.10000E+01 volume 0.37064E-02 ppm1 8.362 ppm2 4.643 CV 1
ASSI { 762}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 106 and name HA1 ))
2.600 0.800 0.800 peak 762 spectrum 1 weight 0.10000E+01 volume 0.87849E-02 ppm1 8.363 ppm2 3.914 CV 1
ASSI { 763}
(( segid " " and resid 106 and name HN ))
( segid " " and resid 105 and name HB% )
2.900 1.000 1.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.24496E-02 ppm1 8.363 ppm2 1.516 CV 1
ASSI { 764}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 20 and name HG2%)
3.700 1.700 1.700 peak 764 spectrum 1 weight 0.10000E+01 volume 0.16416E-02 ppm1 8.367 ppm2 0.987 CV 1
ASSI { 766}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB3 ))
2.400 0.700 0.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.63098E-02 ppm1 8.369 ppm2 2.899 CV 1
ASSI { 767}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 20 and name HG1%)
3.300 1.400 1.400 peak 767 spectrum 1 weight 0.10000E+01 volume 0.14877E-02 ppm1 8.369 ppm2 1.100 CV 1
ASSI { 769}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
2.600 0.800 0.800 peak 769 spectrum 1 weight 0.10000E+01 volume 0.41681E-02 ppm1 8.370 ppm2 6.876 CV 1
ASSI { 770}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB2 ))
2.300 0.700 0.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.71818E-02 ppm1 8.370 ppm2 3.041 CV 1
ASSI { 771}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 9 and name HD22))
3.900 1.900 1.900 peak 771 spectrum 1 weight 0.10000E+01 volume 0.76307E-03 ppm1 8.371 ppm2 6.141 CV 1
ASSI { 772}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB ))
2.600 0.800 0.800 peak 772 spectrum 1 weight 0.10000E+01 volume 0.37064E-02 ppm1 8.372 ppm2 2.011 CV 1
ASSI { 773}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 28 and name HD1%)
4.200 2.200 1.800 peak 773 spectrum 1 weight 0.10000E+01 volume 0.71818E-03 ppm1 8.372 ppm2 0.161 CV 1
ASSI { 774}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 69 and name HG2%)
4.500 2.500 1.500 peak 774 spectrum 1 weight 0.10000E+01 volume 0.37321E-03 ppm1 8.372 ppm2 -0.173 CV 1
ASSI { 775}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 24 and name HG2%)
5.100 3.200 0.900 peak 775 spectrum 1 weight 0.10000E+01 volume 0.21482E-03 ppm1 8.373 ppm2 0.787 CV 1
ASSI { 776}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 18 and name HA ))
2.900 1.000 1.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.24367E-02 ppm1 8.376 ppm2 4.400 CV 1
ASSI { 777}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 82 and name HA ))
3.700 1.700 1.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.92982E-03 ppm1 8.376 ppm2 5.213 CV 1
ASSI { 779}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 97 and name HA ))
2.200 0.600 0.600 peak 779 spectrum 1 weight 0.10000E+01 volume 0.12761E-01 ppm1 8.378 ppm2 5.609 CV 1
ASSI { 780}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 98 and name HB3 ))
2.700 0.900 0.900 peak 780 spectrum 1 weight 0.10000E+01 volume 0.35204E-02 ppm1 8.378 ppm2 1.632 CV 1
OR { 780}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 98 and name HB2 ))
ASSI { 781}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 98 and name HG3 ))
3.400 1.400 1.400 peak 781 spectrum 1 weight 0.10000E+01 volume 0.15775E-02 ppm1 8.378 ppm2 1.355 CV 1
OR { 781}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 98 and name HG2 ))
ASSI { 782}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 83 and name HG13))
3.500 1.500 1.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.61111E-03 ppm1 8.378 ppm2 0.977 CV 1
ASSI { 784}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 83 and name HG12))
3.100 1.200 1.200 peak 784 spectrum 1 weight 0.10000E+01 volume 0.31806E-02 ppm1 8.379 ppm2 1.173 CV 1
ASSI { 785}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 98 and name HA ))
2.900 1.000 1.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.24752E-02 ppm1 8.381 ppm2 4.644 CV 1
ASSI { 787}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 55 and name HN ))
2.800 1.000 1.000 peak 787 spectrum 1 weight 0.10000E+01 volume 0.32447E-02 ppm1 8.395 ppm2 8.880 CV 1
ASSI { 788}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 76 and name HN ))
3.900 1.900 1.900 peak 788 spectrum 1 weight 0.10000E+01 volume 0.88494E-03 ppm1 8.397 ppm2 9.071 CV 1
ASSI { 789}
(( segid " " and resid 75 and name HN ))
( segid " " and resid 75 and name HG2%)
3.800 1.800 1.800 peak 789 spectrum 1 weight 0.10000E+01 volume 0.10004E-02 ppm1 8.398 ppm2 0.814 CV 1
ASSI { 792}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HB ))
2.400 0.700 0.700 peak 792 spectrum 1 weight 0.10000E+01 volume 0.71818E-02 ppm1 8.400 ppm2 1.852 CV 1
ASSI { 793}
(( segid " " and resid 75 and name HN ))
( segid " " and resid 75 and name HG1%)
2.600 0.900 0.900 peak 793 spectrum 1 weight 0.10000E+01 volume 0.43476E-02 ppm1 8.400 ppm2 0.539 CV 1
ASSI { 794}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 66 and name HA ))
3.300 1.300 1.300 peak 794 spectrum 1 weight 0.10000E+01 volume 0.15839E-02 ppm1 8.408 ppm2 4.945 CV 1
ASSI { 796}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 67 and name HA1 ))
3.500 1.500 1.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.36295E-02 ppm1 8.409 ppm2 4.018 CV 1
ASSI { 797}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 34 and name HB2 ))
2.800 1.000 1.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.23918E-02 ppm1 8.409 ppm2 3.259 CV 1
ASSI { 798}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB2 ))
3.100 1.200 1.200 peak 798 spectrum 1 weight 0.10000E+01 volume 0.27381E-02 ppm1 8.409 ppm2 3.155 CV 1
ASSI { 799}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB3 ))
2.600 0.800 0.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.36615E-02 ppm1 8.409 ppm2 2.458 CV 1
ASSI { 800}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 35 and name HB% )
2.600 0.800 0.800 peak 800 spectrum 1 weight 0.10000E+01 volume 0.42322E-02 ppm1 8.409 ppm2 1.073 CV 1
ASSI { 801}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 60 and name HE21))
4.500 2.500 1.500 peak 801 spectrum 1 weight 0.10000E+01 volume 0.33152E-03 ppm1 8.409 ppm2 7.462 CV 1
ASSI { 802}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 62 and name HA ))
4.100 2.100 1.900 peak 802 spectrum 1 weight 0.10000E+01 volume 0.66047E-03 ppm1 8.410 ppm2 4.560 CV 1
ASSI { 804}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 37 and name HN ))
2.300 0.700 0.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.85283E-02 ppm1 8.411 ppm2 8.818 CV 1
ASSI { 806}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 67 and name HN ))
4.700 2.700 1.300 peak 806 spectrum 1 weight 0.10000E+01 volume 0.26419E-03 ppm1 8.414 ppm2 6.919 CV 1
ASSI { 807}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HD21))
4.200 2.200 1.800 peak 807 spectrum 1 weight 0.10000E+01 volume 0.45785E-03 ppm1 8.415 ppm2 7.746 CV 1
ASSI { 809}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HA ))
2.100 0.600 0.600 peak 809 spectrum 1 weight 0.10000E+01 volume 0.96187E-02 ppm1 8.425 ppm2 4.727 CV 1
ASSI { 810}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HA ))
2.900 1.000 1.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.18019E-02 ppm1 8.425 ppm2 4.223 CV 1
ASSI { 811}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB2 ))
2.400 0.700 0.700 peak 811 spectrum 1 weight 0.10000E+01 volume 0.50723E-02 ppm1 8.425 ppm2 1.322 CV 1
ASSI { 812}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 58 and name HG2%)
2.300 0.700 0.700 peak 812 spectrum 1 weight 0.10000E+01 volume 0.37384E-02 ppm1 8.425 ppm2 1.148 CV 1
ASSI { 813}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 72 and name HG2%)
3.100 1.200 1.200 peak 813 spectrum 1 weight 0.10000E+01 volume 0.29690E-02 ppm1 8.425 ppm2 0.821 CV 1
ASSI { 814}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 59 and name HD2%)
4.000 2.000 2.000 peak 814 spectrum 1 weight 0.10000E+01 volume 0.91055E-03 ppm1 8.425 ppm2 0.110 CV 1
ASSI { 816}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 71 and name HD% )
5.800 4.200 0.200 peak 816 spectrum 1 weight 0.10000E+01 volume 0.17378E-03 ppm1 8.425 ppm2 6.753 CV 1
ASSI { 817}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 70 and name HN ))
2.600 0.900 0.900 peak 817 spectrum 1 weight 0.10000E+01 volume 0.27574E-02 ppm1 8.426 ppm2 8.887 CV 1
ASSI { 818}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 71 and name HA ))
4.000 2.000 2.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.18981E-02 ppm1 8.427 ppm2 4.870 CV 1
ASSI { 819}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HG ))
3.800 3.800 2.200 peak 819 spectrum 1 weight 0.10000E+01 volume 0.10004E-02 ppm1 8.427 ppm2 0.302 CV 1
ASSI { 820}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HB ))
3.500 1.500 1.500 peak 820 spectrum 1 weight 0.10000E+01 volume 0.69252E-03 ppm1 8.427 ppm2 1.995 CV 1
ASSI { 821}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 60 and name HN ))
4.000 2.000 2.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.44374E-03 ppm1 8.428 ppm2 9.479 CV 1
ASSI { 822}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HG12))
4.400 2.400 1.600 peak 822 spectrum 1 weight 0.10000E+01 volume 0.86566E-03 ppm1 8.428 ppm2 1.837 CV 1
ASSI { 823}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 69 and name HA ))
4.100 2.100 1.900 peak 823 spectrum 1 weight 0.10000E+01 volume 0.34243E-03 ppm1 8.429 ppm2 5.335 CV 1
ASSI { 824}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 69 and name HB ))
4.200 2.200 1.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.41873E-03 ppm1 8.429 ppm2 1.674 CV 1
ASSI { 825}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 20 and name HN ))
6.000 6.000 0.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.30074E-04 ppm1 8.479 ppm2 7.414 CV 1
ASSI { 826}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HB2 ))
3.100 1.200 1.200 peak 826 spectrum 1 weight 0.10000E+01 volume 0.14300E-02 ppm1 8.484 ppm2 2.300 CV 1
ASSI { 827}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HB3 ))
3.500 1.500 1.500 peak 827 spectrum 1 weight 0.10000E+01 volume 0.24496E-02 ppm1 8.486 ppm2 1.807 CV 1
ASSI { 828}
(( segid " " and resid 86 and name HN ))
( segid " " and resid 19 and name HD% )
3.300 1.400 1.400 peak 828 spectrum 1 weight 0.10000E+01 volume 0.14813E-02 ppm1 8.486 ppm2 7.254 CV 1
ASSI { 829}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HA ))
2.300 0.700 0.700 peak 829 spectrum 1 weight 0.10000E+01 volume 0.69896E-02 ppm1 8.487 ppm2 5.193 CV 1
ASSI { 830}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HB2 ))
2.800 1.000 1.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.22636E-02 ppm1 8.488 ppm2 1.642 CV 1
ASSI { 831}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HB3 ))
3.000 1.100 1.100 peak 831 spectrum 1 weight 0.10000E+01 volume 0.22508E-02 ppm1 8.488 ppm2 1.371 CV 1
ASSI { 832}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 16 and name HB3 ))
4.500 2.500 1.500 peak 832 spectrum 1 weight 0.10000E+01 volume 0.32255E-03 ppm1 8.488 ppm2 3.448 CV 1
ASSI { 833}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 16 and name HA ))
3.200 1.300 1.300 peak 833 spectrum 1 weight 0.10000E+01 volume 0.11799E-02 ppm1 8.490 ppm2 4.588 CV 1
ASSI { 835}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HB3 ))
3.900 1.900 1.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.15454E-02 ppm1 8.492 ppm2 0.965 CV 1
ASSI { 836}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 110 and name HB3 ))
4.000 2.000 2.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.34371E-03 ppm1 8.492 ppm2 1.917 CV 1
ASSI { 837}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 19 and name HB3 ))
4.100 2.100 1.900 peak 837 spectrum 1 weight 0.10000E+01 volume 0.21418E-03 ppm1 8.492 ppm2 2.757 CV 1
ASSI { 839}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 67 and name HA2 ))
4.300 2.300 1.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.73101E-03 ppm1 8.493 ppm2 4.203 CV 1
ASSI { 840}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HD2 ))
3.000 1.100 1.100 peak 840 spectrum 1 weight 0.10000E+01 volume 0.18789E-02 ppm1 8.493 ppm2 3.732 CV 1
ASSI { 841}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 64 and name HA2 ))
3.700 1.700 1.700 peak 841 spectrum 1 weight 0.10000E+01 volume 0.93621E-03 ppm1 8.493 ppm2 4.369 CV 1
ASSI { 843}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HB2 ))
3.000 1.100 1.100 peak 843 spectrum 1 weight 0.10000E+01 volume 0.17185E-02 ppm1 8.493 ppm2 3.481 CV 1
ASSI { 844}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA2 ))
4.200 2.200 1.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.29433E-03 ppm1 8.493 ppm2 4.002 CV 1
ASSI { 845}
(( segid " " and resid 66 and name HN ))
( segid " " and resid 66 and name HD% )
4.100 2.100 1.900 peak 845 spectrum 1 weight 0.10000E+01 volume 0.27830E-03 ppm1 8.493 ppm2 7.278 CV 1
ASSI { 846}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 19 and name HN ))
4.600 4.600 1.400 peak 846 spectrum 1 weight 0.10000E+01 volume 0.40783E-03 ppm1 8.493 ppm2 7.642 CV 1
ASSI { 847}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HB3 ))
3.000 1.100 1.100 peak 847 spectrum 1 weight 0.10000E+01 volume 0.29241E-02 ppm1 8.494 ppm2 2.924 CV 1
ASSI { 848}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HA ))
2.900 1.000 1.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.21738E-02 ppm1 8.494 ppm2 4.611 CV 1
ASSI { 849}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HB2 ))
4.200 2.200 1.800 peak 849 spectrum 1 weight 0.10000E+01 volume 0.59893E-03 ppm1 8.494 ppm2 4.206 CV 1
ASSI { 850}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HG2 ))
2.500 0.800 0.800 peak 850 spectrum 1 weight 0.10000E+01 volume 0.32191E-02 ppm1 8.494 ppm2 1.889 CV 1
OR { 850}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HB2 ))
ASSI { 851}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 110 and name HB2 ))
3.900 1.900 1.900 peak 851 spectrum 1 weight 0.10000E+01 volume 0.11030E-02 ppm1 8.495 ppm2 2.517 CV 1
ASSI { 852}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HA ))
3.000 1.100 1.100 peak 852 spectrum 1 weight 0.10000E+01 volume 0.17634E-02 ppm1 8.496 ppm2 4.935 CV 1
ASSI { 854}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 53 and name HD2 ))
4.000 2.000 2.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.68613E-03 ppm1 8.496 ppm2 3.714 CV 1
ASSI { 855}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HA ))
2.900 1.000 1.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.18468E-02 ppm1 8.497 ppm2 5.762 CV 1
ASSI { 856}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HB ))
2.500 0.800 0.800 peak 856 spectrum 1 weight 0.10000E+01 volume 0.57070E-02 ppm1 8.497 ppm2 3.943 CV 1
ASSI { 857}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HB3 ))
4.500 2.600 1.500 peak 857 spectrum 1 weight 0.10000E+01 volume 0.67330E-03 ppm1 8.497 ppm2 3.127 CV 1
ASSI { 858}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 50 and name HD21))
4.500 2.600 1.500 peak 858 spectrum 1 weight 0.10000E+01 volume 0.33666E-03 ppm1 8.497 ppm2 7.804 CV 1
ASSI { 859}
(( segid " " and resid 86 and name HN ))
( segid " " and resid 95 and name HG1%)
4.400 2.500 1.600 peak 859 spectrum 1 weight 0.10000E+01 volume 0.39373E-03 ppm1 8.497 ppm2 0.789 CV 1
ASSI { 860}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 50 and name HN ))
4.700 2.700 1.300 peak 860 spectrum 1 weight 0.10000E+01 volume 0.37064E-03 ppm1 8.498 ppm2 9.015 CV 1
ASSI { 861}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 50 and name HB2 ))
3.500 1.500 1.500 peak 861 spectrum 1 weight 0.10000E+01 volume 0.10324E-02 ppm1 8.498 ppm2 3.438 CV 1
ASSI { 863}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
3.700 1.700 1.700 peak 863 spectrum 1 weight 0.10000E+01 volume 0.63098E-03 ppm1 8.500 ppm2 4.430 CV 1
ASSI { 865}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA2 ))
2.900 1.100 1.100 peak 865 spectrum 1 weight 0.10000E+01 volume 0.18917E-02 ppm1 8.539 ppm2 3.808 CV 1
ASSI { 868}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB3 ))
3.600 1.600 1.600 peak 868 spectrum 1 weight 0.10000E+01 volume 0.67330E-03 ppm1 8.543 ppm2 3.594 CV 1
ASSI { 869}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA1 ))
4.400 2.400 1.600 peak 869 spectrum 1 weight 0.10000E+01 volume 0.22315E-03 ppm1 8.544 ppm2 2.678 CV 1
ASSI { 870}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HB2 ))
4.400 2.500 1.600 peak 870 spectrum 1 weight 0.10000E+01 volume 0.18532E-03 ppm1 8.546 ppm2 3.415 CV 1
ASSI { 872}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 43 and name HG3 ))
4.300 2.300 1.700 peak 872 spectrum 1 weight 0.10000E+01 volume 0.49120E-03 ppm1 8.556 ppm2 2.374 CV 1
ASSI { 873}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HA ))
2.100 0.500 0.500 peak 873 spectrum 1 weight 0.10000E+01 volume 0.15262E-01 ppm1 8.558 ppm2 4.212 CV 1
ASSI { 874}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HB ))
2.800 1.000 1.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.40527E-02 ppm1 8.558 ppm2 1.928 CV 1
ASSI { 875}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 48 and name HG2%)
2.800 1.000 1.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.34563E-02 ppm1 8.558 ppm2 1.141 CV 1
ASSI { 876}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 49 and name HG1%)
2.700 0.900 0.900 peak 876 spectrum 1 weight 0.10000E+01 volume 0.35525E-02 ppm1 8.558 ppm2 0.953 CV 1
ASSI { 877}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 49 and name HG2%)
3.300 1.400 1.400 peak 877 spectrum 1 weight 0.10000E+01 volume 0.11735E-02 ppm1 8.558 ppm2 0.756 CV 1
ASSI { 878}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HA ))
3.100 1.200 1.200 peak 878 spectrum 1 weight 0.10000E+01 volume 0.15582E-02 ppm1 8.558 ppm2 5.375 CV 1
ASSI { 879}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 43 and name HG2 ))
3.800 1.800 1.800 peak 879 spectrum 1 weight 0.10000E+01 volume 0.42964E-03 ppm1 8.559 ppm2 2.558 CV 1
ASSI { 881}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 50 and name HN ))
4.200 2.200 1.800 peak 881 spectrum 1 weight 0.10000E+01 volume 0.49183E-03 ppm1 8.564 ppm2 9.007 CV 1
ASSI { 883}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB2 ))
3.500 1.500 1.500 peak 883 spectrum 1 weight 0.10000E+01 volume 0.14492E-02 ppm1 8.583 ppm2 2.637 CV 1
OR { 883}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB3 ))
ASSI { 886}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA2 ))
2.900 1.000 1.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.39758E-02 ppm1 8.584 ppm2 4.337 CV 1
ASSI { 887}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA1 ))
2.300 0.700 0.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.76307E-02 ppm1 8.584 ppm2 3.880 CV 1
ASSI { 888}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HN ))
4.300 2.300 1.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.60854E-03 ppm1 8.585 ppm2 6.931 CV 1
ASSI { 889}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 31 and name HN ))
3.300 1.400 1.400 peak 889 spectrum 1 weight 0.10000E+01 volume 0.39116E-02 ppm1 8.585 ppm2 7.036 CV 1
ASSI { 890}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 69 and name HG2%)
6.000 5.100 0.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.12504E-03 ppm1 8.585 ppm2 -0.186 CV 1
ASSI { 891}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 31 and name HG2%)
4.600 2.600 1.400 peak 891 spectrum 1 weight 0.10000E+01 volume 0.27189E-03 ppm1 8.586 ppm2 0.985 CV 1
ASSI { 892}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HA2 ))
2.500 0.800 0.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.43990E-02 ppm1 8.587 ppm2 4.205 CV 1
ASSI { 893}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HB2 ))
3.000 1.100 1.100 peak 893 spectrum 1 weight 0.10000E+01 volume 0.17955E-02 ppm1 8.587 ppm2 3.184 CV 1
ASSI { 894}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 35 and name HB% )
2.600 0.900 0.900 peak 894 spectrum 1 weight 0.10000E+01 volume 0.29626E-02 ppm1 8.587 ppm2 1.070 CV 1
ASSI { 896}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 69 and name HN ))
4.000 2.000 2.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.44631E-03 ppm1 8.587 ppm2 6.038 CV 1
ASSI { 898}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HA1 ))
2.600 0.900 0.900 peak 898 spectrum 1 weight 0.10000E+01 volume 0.45849E-02 ppm1 8.588 ppm2 4.017 CV 1
ASSI { 899}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 61 and name HB3 ))
3.000 1.100 1.100 peak 899 spectrum 1 weight 0.10000E+01 volume 0.20841E-02 ppm1 8.588 ppm2 3.736 CV 1
ASSI { 900}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HB3 ))
2.900 1.000 1.000 peak 900 spectrum 1 weight 0.10000E+01 volume 0.26868E-02 ppm1 8.588 ppm2 2.498 CV 1
ASSI { 901}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 41 and name HB% )
4.800 2.900 1.200 peak 901 spectrum 1 weight 0.10000E+01 volume 0.15326E-03 ppm1 8.588 ppm2 0.432 CV 1
ASSI { 902}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 60 and name HB2 ))
5.300 3.500 0.700 peak 902 spectrum 1 weight 0.10000E+01 volume 0.12056E-03 ppm1 8.588 ppm2 2.203 CV 1
ASSI { 903}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 69 and name HG1%)
4.000 2.000 2.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.37769E-03 ppm1 8.588 ppm2 0.597 CV 1
ASSI { 904}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 62 and name HA ))
3.600 1.600 1.600 peak 904 spectrum 1 weight 0.10000E+01 volume 0.85927E-03 ppm1 8.589 ppm2 4.558 CV 1
ASSI { 905}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 61 and name HN ))
2.000 2.000 4.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.16929E-01 ppm1 8.594 ppm2 8.788 CV 1
ASSI { 906}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 101 and name HN ))
4.100 2.100 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.49055E-03 ppm1 8.651 ppm2 8.865 CV 1
ASSI { 907}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 100 and name HG13))
3.500 1.500 1.500 peak 907 spectrum 1 weight 0.10000E+01 volume 0.12825E-02 ppm1 8.655 ppm2 1.119 CV 1
ASSI { 908}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 99 and name HA ))
2.900 1.000 1.000 peak 908 spectrum 1 weight 0.10000E+01 volume 0.23982E-02 ppm1 8.658 ppm2 5.270 CV 1
ASSI { 909}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 98 and name HA ))
2.300 0.700 0.700 peak 909 spectrum 1 weight 0.10000E+01 volume 0.84644E-02 ppm1 8.658 ppm2 4.646 CV 1
ASSI { 910}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 98 and name HB2 ))
2.700 0.900 0.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.38924E-02 ppm1 8.658 ppm2 1.625 CV 1
OR { 910}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 98 and name HB3 ))
ASSI { 911}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 98 and name HG3 ))
3.100 1.200 1.200 peak 911 spectrum 1 weight 0.10000E+01 volume 0.23085E-02 ppm1 8.658 ppm2 1.356 CV 1
OR { 911}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 98 and name HG2 ))
ASSI { 912}
(( segid " " and resid 99 and name HN ))
( segid " " and resid 99 and name HG2%)
3.700 1.700 1.700 peak 912 spectrum 1 weight 0.10000E+01 volume 0.13402E-02 ppm1 8.658 ppm2 0.977 CV 1
ASSI { 913}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 99 and name HB ))
2.500 0.800 0.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.56044E-02 ppm1 8.659 ppm2 3.851 CV 1
ASSI { 914}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 100 and name HN ))
4.600 2.600 1.400 peak 914 spectrum 1 weight 0.10000E+01 volume 0.29946E-03 ppm1 8.660 ppm2 9.561 CV 1
ASSI { 915}
(( segid " " and resid 99 and name HN ))
(( segid " " and resid 83 and name HN ))
4.600 2.600 1.400 peak 915 spectrum 1 weight 0.10000E+01 volume 0.27445E-03 ppm1 8.661 ppm2 9.293 CV 1
ASSI { 917}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 48 and name HN ))
3.200 1.300 1.300 peak 917 spectrum 1 weight 0.10000E+01 volume 0.10260E-02 ppm1 8.708 ppm2 9.288 CV 1
ASSI { 919}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 111 and name HG12))
3.300 3.300 2.700 peak 919 spectrum 1 weight 0.10000E+01 volume 0.38859E-03 ppm1 8.708 ppm2 1.609 CV 1
ASSI { 920}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 49 and name HA ))
3.600 1.600 1.600 peak 920 spectrum 1 weight 0.10000E+01 volume 0.89133E-03 ppm1 8.708 ppm2 5.372 CV 1
ASSI { 921}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 50 and name HD22))
3.400 3.400 2.600 peak 921 spectrum 1 weight 0.10000E+01 volume 0.10324E-02 ppm1 8.709 ppm2 7.023 CV 1
ASSI { 922}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 112 and name HA ))
2.800 1.000 1.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.26933E-02 ppm1 8.709 ppm2 4.545 CV 1
ASSI { 923}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 111 and name HA ))
2.200 0.600 0.600 peak 923 spectrum 1 weight 0.10000E+01 volume 0.95548E-02 ppm1 8.709 ppm2 4.347 CV 1
ASSI { 924}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 48 and name HB ))
3.300 1.300 1.300 peak 924 spectrum 1 weight 0.10000E+01 volume 0.15839E-02 ppm1 8.709 ppm2 4.172 CV 1
OR { 924}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 48 and name HA ))
ASSI { 926}
(( segid " " and resid 112 and name HN ))
( segid " " and resid 111 and name HG2%)
3.300 1.400 1.400 peak 926 spectrum 1 weight 0.10000E+01 volume 0.29113E-02 ppm1 8.709 ppm2 0.718 CV 1
ASSI { 927}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 111 and name HB ))
4.000 2.000 2.000 peak 927 spectrum 1 weight 0.10000E+01 volume 0.30844E-03 ppm1 8.709 ppm2 1.976 CV 1
ASSI { 928}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 112 and name HD2 ))
3.200 1.300 1.300 peak 928 spectrum 1 weight 0.10000E+01 volume 0.13466E-02 ppm1 8.710 ppm2 6.866 CV 1
ASSI { 930}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 47 and name HB3 ))
3.700 3.700 2.300 peak 930 spectrum 1 weight 0.10000E+01 volume 0.48863E-03 ppm1 8.714 ppm2 2.661 CV 1
ASSI { 931}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 36 and name HN ))
3.000 1.100 1.100 peak 931 spectrum 1 weight 0.10000E+01 volume 0.16865E-02 ppm1 8.754 ppm2 8.410 CV 1
ASSI { 932}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 35 and name HB% )
2.300 0.700 0.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.65408E-02 ppm1 8.755 ppm2 1.073 CV 1
ASSI { 933}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB2 ))
2.800 1.000 1.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.33024E-02 ppm1 8.756 ppm2 3.256 CV 1
ASSI { 935}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 17 and name HG2%)
2.900 1.000 1.000 peak 935 spectrum 1 weight 0.10000E+01 volume 0.23662E-02 ppm1 8.756 ppm2 0.939 CV 1
ASSI { 936}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 69 and name HG1%)
5.500 3.700 0.500 peak 936 spectrum 1 weight 0.10000E+01 volume 0.24047E-03 ppm1 8.758 ppm2 0.595 CV 1
ASSI { 939}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 37 and name HB2 ))
4.400 2.400 1.600 peak 939 spectrum 1 weight 0.10000E+01 volume 0.10196E-02 ppm1 8.783 ppm2 3.577 CV 1
ASSI { 940}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HD21))
2.800 1.000 1.000 peak 940 spectrum 1 weight 0.10000E+01 volume 0.22508E-02 ppm1 8.784 ppm2 7.975 CV 1
ASSI { 941}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HA2 ))
2.200 0.600 0.600 peak 941 spectrum 1 weight 0.10000E+01 volume 0.82078E-02 ppm1 8.784 ppm2 4.342 CV 1
ASSI { 942}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB2 ))
2.900 1.000 1.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.21226E-02 ppm1 8.785 ppm2 3.255 CV 1
ASSI { 944}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HA1 ))
3.200 1.300 1.300 peak 944 spectrum 1 weight 0.10000E+01 volume 0.54570E-02 ppm1 8.786 ppm2 3.882 CV 1
ASSI { 945}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 62 and name HA ))
3.900 1.900 1.900 peak 945 spectrum 1 weight 0.10000E+01 volume 0.46554E-03 ppm1 8.789 ppm2 4.556 CV 1
ASSI { 946}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HN ))
3.400 1.400 1.400 peak 946 spectrum 1 weight 0.10000E+01 volume 0.15967E-02 ppm1 8.795 ppm2 9.470 CV 1
ASSI { 948}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 35 and name HB% )
4.000 2.000 2.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.94265E-03 ppm1 8.798 ppm2 1.082 CV 1
ASSI { 950}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 69 and name HA ))
4.100 2.100 1.900 peak 950 spectrum 1 weight 0.10000E+01 volume 0.80795E-03 ppm1 8.800 ppm2 5.333 CV 1
ASSI { 951}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HB3 ))
2.700 0.900 0.900 peak 951 spectrum 1 weight 0.10000E+01 volume 0.28984E-02 ppm1 8.800 ppm2 3.729 CV 1
ASSI { 952}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HA ))
2.200 0.600 0.600 peak 952 spectrum 1 weight 0.10000E+01 volume 0.10004E-01 ppm1 8.801 ppm2 4.958 CV 1
ASSI { 954}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HB3 ))
4.000 2.000 2.000 peak 954 spectrum 1 weight 0.10000E+01 volume 0.75668E-03 ppm1 8.801 ppm2 1.411 CV 1
ASSI { 955}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 69 and name HG1%)
3.400 1.500 1.500 peak 955 spectrum 1 weight 0.10000E+01 volume 0.15646E-02 ppm1 8.801 ppm2 0.598 CV 1
ASSI { 956}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 59 and name HD2%)
4.100 2.100 1.900 peak 956 spectrum 1 weight 0.10000E+01 volume 0.50017E-03 ppm1 8.801 ppm2 0.119 CV 1
ASSI { 958}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 70 and name HB% )
4.600 2.600 1.400 peak 958 spectrum 1 weight 0.10000E+01 volume 0.25329E-03 ppm1 8.803 ppm2 1.355 CV 1
ASSI { 959}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HB2 ))
3.400 1.500 1.500 peak 959 spectrum 1 weight 0.10000E+01 volume 0.18917E-02 ppm1 8.804 ppm2 2.222 CV 1
ASSI { 961}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 96 and name HN ))
2.900 1.000 1.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.26933E-02 ppm1 8.805 ppm2 9.190 CV 1
ASSI { 962}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HA ))
2.900 1.100 1.100 peak 962 spectrum 1 weight 0.10000E+01 volume 0.19045E-02 ppm1 8.805 ppm2 5.184 CV 1
ASSI { 963}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HA ))
2.200 0.600 0.600 peak 963 spectrum 1 weight 0.10000E+01 volume 0.95548E-02 ppm1 8.806 ppm2 5.583 CV 1
ASSI { 964}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HG2 ))
2.200 0.600 0.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.96826E-02 ppm1 8.806 ppm2 2.126 CV 1
ASSI { 966}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 71 and name HD% )
4.000 2.000 2.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.14620E-03 ppm1 8.808 ppm2 6.691 CV 1
OR { 966}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 71 and name HE% )
ASSI { 967}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HE22))
4.500 2.500 1.500 peak 967 spectrum 1 weight 0.10000E+01 volume 0.20841E-03 ppm1 8.809 ppm2 6.490 CV 1
ASSI { 968}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 100 and name HG12))
3.100 3.100 2.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.39501E-02 ppm1 8.820 ppm2 1.264 CV 1
ASSI { 969}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 84 and name HN ))
3.900 1.900 1.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.10131E-02 ppm1 8.821 ppm2 9.592 CV 1
ASSI { 970}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 76 and name HD21))
3.700 1.800 1.800 peak 970 spectrum 1 weight 0.10000E+01 volume 0.41168E-03 ppm1 8.821 ppm2 7.664 CV 1
ASSI { 971}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HN ))
4.600 2.600 1.400 peak 971 spectrum 1 weight 0.10000E+01 volume 0.36230E-03 ppm1 8.822 ppm2 7.931 CV 1
ASSI { 972}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HA ))
3.000 1.100 1.100 peak 972 spectrum 1 weight 0.10000E+01 volume 0.18724E-02 ppm1 8.823 ppm2 4.266 CV 1
ASSI { 973}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HB3 ))
3.300 1.300 1.300 peak 973 spectrum 1 weight 0.10000E+01 volume 0.38026E-02 ppm1 8.823 ppm2 1.518 CV 1
ASSI { 974}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HA ))
2.100 0.600 0.600 peak 974 spectrum 1 weight 0.10000E+01 volume 0.88494E-02 ppm1 8.823 ppm2 3.888 CV 1
ASSI { 975}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HG2 ))
3.200 1.300 1.300 peak 975 spectrum 1 weight 0.10000E+01 volume 0.29754E-02 ppm1 8.823 ppm2 2.604 CV 1
ASSI { 976}
(( segid " " and resid 73 and name HN ))
( segid " " and resid 72 and name HG1%)
2.800 1.000 1.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.24239E-02 ppm1 8.823 ppm2 0.506 CV 1
ASSI { 977}
(( segid " " and resid 73 and name HN ))
( segid " " and resid 82 and name HG2%)
3.600 1.600 1.600 peak 977 spectrum 1 weight 0.10000E+01 volume 0.87211E-03 ppm1 8.823 ppm2 1.136 CV 1
ASSI { 979}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 83 and name HA ))
2.500 0.800 0.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.51043E-02 ppm1 8.824 ppm2 5.629 CV 1
ASSI { 980}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HB3 ))
2.200 0.600 0.600 peak 980 spectrum 1 weight 0.10000E+01 volume 0.11350E-01 ppm1 8.824 ppm2 3.978 CV 1
OR { 980}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HB2 ))
ASSI { 982}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 100 and name HN ))
2.700 0.900 0.900 peak 982 spectrum 1 weight 0.10000E+01 volume 0.29754E-02 ppm1 8.825 ppm2 9.558 CV 1
ASSI { 983}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HA ))
2.200 0.600 0.600 peak 983 spectrum 1 weight 0.10000E+01 volume 0.10324E-01 ppm1 8.825 ppm2 4.351 CV 1
ASSI { 985}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 105 and name HB% )
4.200 2.200 1.800 peak 985 spectrum 1 weight 0.10000E+01 volume 0.43156E-03 ppm1 8.825 ppm2 1.519 CV 1
ASSI { 986}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HA ))
2.600 0.900 0.900 peak 986 spectrum 1 weight 0.10000E+01 volume 0.29690E-02 ppm1 8.826 ppm2 4.686 CV 1
ASSI { 987}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 99 and name HG2%)
2.900 1.100 1.100 peak 987 spectrum 1 weight 0.10000E+01 volume 0.23149E-02 ppm1 8.826 ppm2 0.985 CV 1
ASSI { 988}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 81 and name HG1%)
2.900 1.100 1.100 peak 988 spectrum 1 weight 0.10000E+01 volume 0.42066E-02 ppm1 8.826 ppm2 0.849 CV 1
ASSI { 989}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 99 and name HA ))
3.500 1.500 1.500 peak 989 spectrum 1 weight 0.10000E+01 volume 0.16737E-02 ppm1 8.826 ppm2 5.277 CV 1
ASSI { 990}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HG3 ))
4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.23855E-03 ppm1 8.826 ppm2 2.504 CV 1
ASSI { 992}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 75 and name HN ))
3.600 1.600 1.600 peak 992 spectrum 1 weight 0.10000E+01 volume 0.11607E-02 ppm1 8.827 ppm2 8.377 CV 1
ASSI { 996}
(( segid " " and resid 95 and name HN ))
( segid " " and resid 95 and name HG1%)
2.400 0.700 0.700 peak 996 spectrum 1 weight 0.10000E+01 volume 0.81439E-02 ppm1 8.839 ppm2 0.791 CV 1
ASSI { 997}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HA ))
2.600 2.600 3.400 peak 997 spectrum 1 weight 0.10000E+01 volume 0.34627E-02 ppm1 8.841 ppm2 4.791 CV 1
ASSI { 998}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HB ))
2.400 0.700 0.700 peak 998 spectrum 1 weight 0.10000E+01 volume 0.70535E-02 ppm1 8.842 ppm2 1.893 CV 1
ASSI { 999}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HA ))
2.200 0.600 0.600 peak 999 spectrum 1 weight 0.10000E+01 volume 0.11286E-01 ppm1 8.843 ppm2 4.614 CV 1
ASSI { 1003}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB3 ))
4.400 2.400 1.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.27125E-03 ppm1 8.847 ppm2 2.466 CV 1
ASSI { 1005}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HD21))
4.000 2.000 2.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.94265E-03 ppm1 8.848 ppm2 7.913 CV 1
ASSI { 1006}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB2 ))
2.600 0.800 0.800 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.52839E-02 ppm1 8.848 ppm2 3.579 CV 1
ASSI { 1008}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HA ))
2.900 1.000 1.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.29305E-02 ppm1 8.849 ppm2 5.056 CV 1
ASSI { 1009}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB3 ))
2.500 0.800 0.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.49248E-02 ppm1 8.849 ppm2 2.832 CV 1
ASSI { 1010}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 60 and name HE21))
3.700 1.800 1.800 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.89777E-03 ppm1 8.849 ppm2 7.459 CV 1
ASSI { 1011}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 35 and name HB% )
5.400 3.700 0.600 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.11799E-03 ppm1 8.855 ppm2 1.079 CV 1
ASSI { 1012}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 80 and name HN ))
5.200 3.400 0.800 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.98754E-04 ppm1 8.856 ppm2 7.937 CV 1
ASSI { 1013}
(( segid " " and resid 102 and name HN ))
( segid " " and resid 75 and name HG2%)
3.800 3.800 2.200 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.18211E-03 ppm1 8.857 ppm2 0.823 CV 1
ASSI { 1014}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 103 and name HN ))
3.900 1.900 1.900 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.41745E-03 ppm1 8.859 ppm2 8.168 CV 1
ASSI { 1015}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 80 and name HA ))
3.100 1.200 1.200 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.25073E-02 ppm1 8.859 ppm2 4.344 CV 1
ASSI { 1016}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 101 and name HA ))
2.100 0.500 0.500 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.15582E-01 ppm1 8.860 ppm2 4.138 CV 1
ASSI { 1017}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 102 and name HA ))
2.300 0.700 0.700 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.83361E-02 ppm1 8.860 ppm2 3.935 CV 1
ASSI { 1018}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HG12))
3.800 1.800 1.800 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.18724E-03 ppm1 8.860 ppm2 1.225 CV 1
ASSI { 1019}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 104 and name HN ))
4.100 2.100 1.900 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.47260E-03 ppm1 8.860 ppm2 7.554 CV 1
ASSI { 1020}
(( segid " " and resid 102 and name HN ))
( segid " " and resid 102 and name HB% )
2.300 0.700 0.700 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.97470E-02 ppm1 8.861 ppm2 1.397 CV 1
ASSI { 1021}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HG3 ))
4.200 2.200 1.800 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.94904E-03 ppm1 8.861 ppm2 1.245 CV 1
ASSI { 1022}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HN ))
4.500 2.500 1.500 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.35717E-03 ppm1 8.862 ppm2 9.549 CV 1
ASSI { 1024}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HA ))
2.800 1.000 1.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.26419E-02 ppm1 8.863 ppm2 3.498 CV 1
ASSI { 1025}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HB3 ))
2.200 0.600 0.600 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.11286E-01 ppm1 8.863 ppm2 1.737 CV 1
OR { 1025}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HB2 ))
ASSI { 1027}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 101 and name HB2 ))
2.000 0.500 0.500 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.23662E-01 ppm1 8.863 ppm2 4.157 CV 1
OR { 1027}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 101 and name HA ))
ASSI { 1029}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB3 ))
2.600 0.900 0.900 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.50402E-02 ppm1 8.864 ppm2 3.737 CV 1
ASSI { 1030}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 101 and name HB3 ))
2.900 1.100 1.100 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.25201E-02 ppm1 8.864 ppm2 3.997 CV 1
ASSI { 1032}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 104 and name HN ))
4.200 2.200 1.800 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.31998E-03 ppm1 8.865 ppm2 7.555 CV 1
ASSI { 1033}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HA ))
2.200 0.600 0.600 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.10196E-01 ppm1 8.865 ppm2 4.286 CV 1
ASSI { 1034}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 104 and name HB3 ))
3.700 1.700 1.700 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.11927E-02 ppm1 8.865 ppm2 2.036 CV 1
ASSI { 1035}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HB ))
3.500 1.500 1.500 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.15197E-02 ppm1 8.865 ppm2 1.826 CV 1
ASSI { 1036}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HG2 ))
3.600 1.700 1.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.18211E-02 ppm1 8.866 ppm2 1.431 CV 1
ASSI { 1037}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 104 and name HB2 ))
2.900 1.000 1.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.19622E-02 ppm1 8.866 ppm2 2.188 CV 1
ASSI { 1038}
(( segid " " and resid 101 and name HN ))
( segid " " and resid 100 and name HG2%)
2.800 1.000 1.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.35269E-02 ppm1 8.866 ppm2 1.034 CV 1
ASSI { 1039}
(( segid " " and resid 101 and name HN ))
( segid " " and resid 100 and name HD1%)
4.800 2.900 1.200 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.52646E-03 ppm1 8.866 ppm2 0.491 CV 1
ASSI { 1040}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HN ))
4.500 2.500 1.500 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.29562E-03 ppm1 8.867 ppm2 5.994 CV 1
ASSI { 1041}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HN ))
3.800 1.800 1.800 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.82078E-03 ppm1 8.884 ppm2 6.028 CV 1
ASSI { 1044}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 69 and name HG1%)
3.700 1.700 1.700 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.19943E-02 ppm1 8.890 ppm2 0.596 CV 1
ASSI { 1045}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 59 and name HD2%)
3.700 1.700 1.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.15903E-02 ppm1 8.890 ppm2 0.113 CV 1
ASSI { 1046}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HB ))
2.700 0.900 0.900 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.60019E-02 ppm1 8.891 ppm2 1.687 CV 1
ASSI { 1047}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HA ))
2.100 0.600 0.600 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.93621E-02 ppm1 8.891 ppm2 5.333 CV 1
ASSI { 1048}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 58 and name HG2%)
2.900 1.100 1.100 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.25970E-02 ppm1 8.891 ppm2 1.148 CV 1
ASSI { 1049}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 59 and name HB3 ))
2.300 0.700 0.700 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.48094E-02 ppm1 8.891 ppm2 1.005 CV 1
ASSI { 1051}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 69 and name HG2%)
3.800 1.800 1.800 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.94265E-03 ppm1 8.891 ppm2 -0.186 CV 1
ASSI { 1052}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 60 and name HN ))
5.100 3.300 0.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.17506E-03 ppm1 8.892 ppm2 9.481 CV 1
ASSI { 1054}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 71 and name HN ))
3.900 1.900 1.900 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.68613E-03 ppm1 8.894 ppm2 9.309 CV 1
ASSI { 1055}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 59 and name HG ))
5.400 3.600 0.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.22636E-03 ppm1 8.894 ppm2 0.279 CV 1
ASSI { 1056}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HA ))
2.600 0.900 0.900 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.45593E-02 ppm1 8.899 ppm2 4.953 CV 1
ASSI { 1059}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB3 ))
3.200 1.300 1.300 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.17634E-02 ppm1 8.903 ppm2 3.996 CV 1
ASSI { 1060}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 63 and name HG3 ))
4.300 2.300 1.700 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.31485E-03 ppm1 8.906 ppm2 2.216 CV 1
OR { 1060}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 63 and name HG2 ))
ASSI { 1062}
(( segid " " and resid 88 and name HN ))
( segid " " and resid 88 and name HD% )
5.600 5.600 0.400 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.18468E-03 ppm1 8.934 ppm2 6.166 CV 1
ASSI { 1063}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 19 and name HN ))
3.800 3.800 2.200 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.17185E-03 ppm1 8.935 ppm2 7.640 CV 1
ASSI { 1064}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 89 and name HN ))
2.900 1.100 1.100 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.26484E-02 ppm1 8.937 ppm2 8.055 CV 1
ASSI { 1065}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 86 and name HA ))
3.700 1.700 1.700 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.60985E-03 ppm1 8.938 ppm2 5.253 CV 1
ASSI { 1066}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HA ))
2.700 0.900 0.900 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.52261E-02 ppm1 8.938 ppm2 4.226 CV 1
ASSI { 1067}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 88 and name HB2 ))
2.500 0.800 0.800 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.72463E-02 ppm1 8.938 ppm2 2.491 CV 1
ASSI { 1068}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HN ))
3.000 1.100 1.100 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.24688E-02 ppm1 8.938 ppm2 8.246 CV 1
ASSI { 1069}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 85 and name HG3 ))
5.600 3.900 0.400 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.44054E-04 ppm1 8.940 ppm2 2.027 CV 1
ASSI { 1070}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HB2 ))
4.200 2.200 1.800 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.14877E-02 ppm1 8.940 ppm2 3.535 CV 1
ASSI { 1071}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 57 and name HB% )
4.200 2.200 1.800 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.80795E-03 ppm1 8.950 ppm2 1.095 CV 1
ASSI { 1072}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HA2 ))
2.800 1.000 1.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.44246E-02 ppm1 8.951 ppm2 4.143 CV 1
ASSI { 1073}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HA ))
2.100 0.500 0.500 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.12184E-01 ppm1 8.951 ppm2 3.501 CV 1
ASSI { 1074}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HG3 ))
3.200 1.300 1.300 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.16801E-02 ppm1 8.951 ppm2 1.245 CV 1
ASSI { 1075}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 72 and name HG2%)
4.700 2.700 1.300 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.41296E-03 ppm1 8.951 ppm2 0.823 CV 1
ASSI { 1077}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HA1 ))
2.300 0.700 0.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.71179E-02 ppm1 8.952 ppm2 3.359 CV 1
ASSI { 1078}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 72 and name HB ))
2.900 1.100 1.100 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.29497E-02 ppm1 8.952 ppm2 2.205 CV 1
ASSI { 1079}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB2 ))
3.600 1.600 1.600 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.24175E-02 ppm1 8.952 ppm2 1.743 CV 1
ASSI { 1080}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HG2 ))
3.100 1.200 1.200 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.18596E-02 ppm1 8.952 ppm2 1.431 CV 1
ASSI { 1081}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 72 and name HG1%)
3.000 1.100 1.100 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.26676E-02 ppm1 8.952 ppm2 0.510 CV 1
ASSI { 1083}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 71 and name HE% )
6.000 4.700 0.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.36295E-04 ppm1 8.955 ppm2 6.644 CV 1
ASSI { 1084}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 51 and name HN ))
2.700 0.900 0.900 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.18853E-02 ppm1 9.003 ppm2 8.541 CV 1
ASSI { 1085}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 112 and name HD2 ))
3.400 1.400 1.400 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.14620E-02 ppm1 9.003 ppm2 6.852 CV 1
ASSI { 1086}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB3 ))
3.600 1.600 1.600 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.13594E-02 ppm1 9.003 ppm2 3.109 CV 1
ASSI { 1087}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HB ))
3.100 1.200 1.200 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.20007E-02 ppm1 9.003 ppm2 1.929 CV 1
ASSI { 1089}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 110 and name HB2 ))
4.100 2.100 1.900 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.11542E-02 ppm1 9.004 ppm2 2.524 CV 1
ASSI { 1090}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HA ))
2.000 0.500 0.500 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.11542E-01 ppm1 9.004 ppm2 5.374 CV 1
ASSI { 1091}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 110 and name HN ))
2.900 1.000 1.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.40142E-02 ppm1 9.005 ppm2 9.330 CV 1
ASSI { 1092}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HD22))
4.200 2.300 1.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.50787E-03 ppm1 9.005 ppm2 7.038 CV 1
ASSI { 1093}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB2 ))
4.000 2.000 2.000 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.34307E-03 ppm1 9.005 ppm2 3.433 CV 1
ASSI { 1094}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HA ))
2.400 0.700 0.700 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.53031E-02 ppm1 9.007 ppm2 4.803 CV 1
ASSI { 1095}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 100 and name HN ))
3.900 1.900 1.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.56366E-03 ppm1 9.010 ppm2 9.570 CV 1
ASSI { 1097}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 109 and name HA ))
3.800 1.800 1.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.10773E-02 ppm1 9.013 ppm2 5.023 CV 1
ASSI { 1098}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 81 and name HG1%)
2.300 2.300 3.700 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.89133E-02 ppm1 9.015 ppm2 0.861 CV 1
ASSI { 1099}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 76 and name HD22))
3.300 1.400 1.400 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.12889E-02 ppm1 9.016 ppm2 7.308 CV 1
ASSI { 1100}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HA ))
2.700 0.900 0.900 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.34755E-02 ppm1 9.016 ppm2 5.205 CV 1
ASSI { 1101}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 80 and name HB2 ))
3.400 3.400 2.600 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.18917E-02 ppm1 9.016 ppm2 3.976 CV 1
OR { 1101}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 80 and name HB3 ))
ASSI { 1103}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 76 and name HD21))
3.700 1.700 1.700 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.88494E-03 ppm1 9.017 ppm2 7.662 CV 1
ASSI { 1104}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HA ))
2.100 0.500 0.500 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.11157E-01 ppm1 9.017 ppm2 4.682 CV 1
ASSI { 1105}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HB ))
2.400 0.700 0.700 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.59959E-02 ppm1 9.017 ppm2 4.126 CV 1
ASSI { 1107}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 75 and name HA ))
2.500 0.800 0.800 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.75023E-02 ppm1 9.018 ppm2 4.329 CV 1
ASSI { 1108}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HB ))
3.400 1.400 1.400 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.12504E-02 ppm1 9.018 ppm2 1.840 CV 1
ASSI { 1109}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 72 and name HG1%)
3.000 1.100 1.100 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.22059E-02 ppm1 9.018 ppm2 0.523 CV 1
ASSI { 1112}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HD22))
4.400 2.500 1.600 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.57005E-03 ppm1 9.075 ppm2 7.309 CV 1
ASSI { 1113}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB2 ))
2.700 0.900 0.900 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.24239E-02 ppm1 9.075 ppm2 2.936 CV 1
ASSI { 1114}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB3 ))
3.100 1.200 1.200 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.45465E-02 ppm1 9.075 ppm2 2.789 CV 1
ASSI { 1115}
(( segid " " and resid 76 and name HN ))
( segid " " and resid 75 and name HG2%)
2.700 0.900 0.900 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.41681E-02 ppm1 9.075 ppm2 0.817 CV 1
ASSI { 1117}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HA ))
2.000 0.500 0.500 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.12248E-01 ppm1 9.076 ppm2 4.334 CV 1
ASSI { 1119}
(( segid " " and resid 76 and name HN ))
( segid " " and resid 75 and name HG1%)
3.500 1.600 1.600 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.12312E-02 ppm1 9.076 ppm2 0.543 CV 1
ASSI { 1124}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 96 and name HB2 ))
3.100 1.200 1.200 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.13530E-02 ppm1 9.189 ppm2 4.084 CV 1
ASSI { 1125}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HB ))
4.600 2.700 1.400 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.51684E-03 ppm1 9.189 ppm2 1.885 CV 1
ASSI { 1126}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 97 and name HN ))
4.400 2.500 1.600 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.53416E-03 ppm1 9.190 ppm2 8.291 CV 1
ASSI { 1127}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 86 and name HA ))
3.500 1.500 1.500 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.11350E-02 ppm1 9.190 ppm2 5.253 CV 1
ASSI { 1129}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 96 and name HB3 ))
3.400 1.400 1.400 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.12953E-02 ppm1 9.190 ppm2 3.795 CV 1
ASSI { 1130}
(( segid " " and resid 96 and name HN ))
( segid " " and resid 95 and name HG2%)
2.900 1.000 1.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.48799E-02 ppm1 9.190 ppm2 0.827 CV 1
ASSI { 1132}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 47 and name HD% )
5.400 3.700 0.600 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.21738E-03 ppm1 9.258 ppm2 7.677 CV 1
ASSI { 1135}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB3 ))
2.800 1.000 1.000 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.15711E-02 ppm1 9.261 ppm2 2.680 CV 1
ASSI { 1136}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HA ))
2.400 0.700 0.700 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.73101E-02 ppm1 9.262 ppm2 4.624 CV 1
ASSI { 1137}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB2 ))
3.300 1.300 1.300 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.42450E-02 ppm1 9.262 ppm2 3.068 CV 1
ASSI { 1138}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 49 and name HN ))
4.200 2.200 1.800 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.47709E-03 ppm1 9.262 ppm2 8.559 CV 1
ASSI { 1139}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB ))
2.300 0.600 0.600 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.94265E-02 ppm1 9.263 ppm2 4.157 CV 1
OR { 1139}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HA ))
ASSI { 1141}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 100 and name HN ))
3.400 1.400 1.400 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.13466E-02 ppm1 9.280 ppm2 9.551 CV 1
ASSI { 1142}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 98 and name HN ))
3.000 1.200 1.200 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.20904E-02 ppm1 9.283 ppm2 8.375 CV 1
ASSI { 1144}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 83 and name HG2%)
3.000 1.100 1.100 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.23855E-02 ppm1 9.283 ppm2 0.747 CV 1
ASSI { 1145}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 83 and name HD1%)
4.000 2.000 2.000 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.12953E-02 ppm1 9.283 ppm2 0.435 CV 1
ASSI { 1147}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HG13))
2.600 0.800 0.800 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.55405E-02 ppm1 9.284 ppm2 0.964 CV 1
ASSI { 1148}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HA ))
2.900 1.100 1.100 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.17827E-02 ppm1 9.285 ppm2 5.622 CV 1
ASSI { 1149}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HA ))
2.100 0.600 0.600 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.12248E-01 ppm1 9.285 ppm2 5.203 CV 1
ASSI { 1150}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 87 and name HD21))
3.000 1.100 1.100 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.20199E-02 ppm1 9.300 ppm2 7.579 CV 1
ASSI { 1152}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HA ))
3.000 1.100 1.100 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.18083E-02 ppm1 9.303 ppm2 4.591 CV 1
ASSI { 1153}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
2.500 0.800 0.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.48606E-02 ppm1 9.303 ppm2 4.416 CV 1
ASSI { 1154}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.000 1.100 1.100 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.32447E-02 ppm1 9.303 ppm2 3.850 CV 1
ASSI { 1155}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB3 ))
2.600 0.900 0.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.30331E-02 ppm1 9.303 ppm2 3.472 CV 1
ASSI { 1157}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB3 ))
2.600 0.900 0.900 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.26419E-02 ppm1 9.303 ppm2 2.226 CV 1
ASSI { 1158}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HG3 ))
4.200 2.200 1.800 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.93621E-03 ppm1 9.303 ppm2 2.064 CV 1
ASSI { 1159}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 17 and name HG2%)
4.800 2.900 1.200 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.25458E-03 ppm1 9.303 ppm2 0.953 CV 1
ASSI { 1161}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 59 and name HN ))
4.500 2.500 1.500 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.38154E-03 ppm1 9.309 ppm2 8.429 CV 1
ASSI { 1163}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 83 and name HG2%)
3.700 1.700 1.700 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.90416E-03 ppm1 9.310 ppm2 0.775 CV 1
ASSI { 1164}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 20 and name HG2%)
2.700 0.900 0.900 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.24816E-02 ppm1 9.311 ppm2 0.998 CV 1
ASSI { 1166}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 84 and name HN ))
2.800 1.000 1.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.21802E-02 ppm1 9.312 ppm2 9.593 CV 1
ASSI { 1167}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 71 and name HD% )
3.500 1.500 1.500 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.23662E-02 ppm1 9.312 ppm2 6.706 CV 1
ASSI { 1168}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 85 and name HB3 ))
3.300 1.300 1.300 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.14171E-02 ppm1 9.312 ppm2 1.810 CV 1
ASSI { 1169}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HA ))
3.100 1.200 1.200 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.10581E-02 ppm1 9.313 ppm2 4.893 CV 1
ASSI { 1170}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HA ))
2.300 0.700 0.700 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.50466E-02 ppm1 9.313 ppm2 4.523 CV 1
ASSI { 1171}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB2 ))
2.600 0.900 0.900 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.45785E-02 ppm1 9.313 ppm2 3.230 CV 1
ASSI { 1172}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB3 ))
2.500 0.800 0.800 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.32511E-02 ppm1 9.313 ppm2 2.487 CV 1
ASSI { 1173}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 70 and name HB% )
2.700 0.900 0.900 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.54826E-02 ppm1 9.313 ppm2 1.343 CV 1
ASSI { 1175}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 85 and name HB2 ))
4.200 2.200 1.800 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.10901E-02 ppm1 9.315 ppm2 2.301 CV 1
ASSI { 1176}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 58 and name HA ))
3.700 1.700 1.700 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.12376E-02 ppm1 9.316 ppm2 4.743 CV 1
ASSI { 1178}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 110 and name HB2 ))
3.500 1.500 1.500 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.49697E-03 ppm1 9.326 ppm2 2.509 CV 1
ASSI { 1179}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 58 and name HN ))
2.900 1.100 1.100 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.22956E-02 ppm1 9.328 ppm2 8.347 CV 1
ASSI { 1180}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 110 and name HA ))
2.200 0.600 0.600 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.91699E-02 ppm1 9.328 ppm2 5.314 CV 1
ASSI { 1181}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 111 and name HA ))
2.900 1.000 1.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.20327E-02 ppm1 9.328 ppm2 4.334 CV 1
ASSI { 1183}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 111 and name HG13))
3.100 1.200 1.200 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.29433E-02 ppm1 9.328 ppm2 0.884 CV 1
OR { 1183}
(( segid " " and resid 111 and name HN ))
( segid " " and resid 111 and name HD1%)
ASSI { 1185}
(( segid " " and resid 111 and name HN ))
( segid " " and resid 111 and name HG2%)
3.300 1.400 1.400 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.12440E-02 ppm1 9.330 ppm2 0.728 CV 1
ASSI { 1186}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 111 and name HG12))
2.300 0.700 0.700 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.43797E-02 ppm1 9.331 ppm2 1.612 CV 1
ASSI { 1188}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 52 and name HN ))
4.400 2.400 1.600 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.44310E-03 ppm1 9.334 ppm2 8.509 CV 1
ASSI { 1189}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 47 and name HB2 ))
3.900 1.900 1.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.13530E-02 ppm1 9.335 ppm2 3.041 CV 1
ASSI { 1190}
(( segid " " and resid 110 and name HN ))
( segid " " and resid 57 and name HB% )
6.000 6.000 0.000 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.16737E-03 ppm1 9.335 ppm2 1.108 CV 1
ASSI { 1191}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 28 and name HG13))
3.900 3.900 2.100 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.82078E-03 ppm1 9.337 ppm2 0.423 CV 1
ASSI { 1193}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 110 and name HB2 ))
3.500 1.500 1.500 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.24432E-02 ppm1 9.337 ppm2 2.515 CV 1
ASSI { 1195}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 109 and name HA ))
2.200 0.600 0.600 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.79517E-02 ppm1 9.338 ppm2 5.012 CV 1
ASSI { 1196}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 109 and name HB3 ))
3.000 1.100 1.100 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.15711E-02 ppm1 9.338 ppm2 2.037 CV 1
ASSI { 1198}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 110 and name HA ))
2.800 1.000 1.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.21418E-02 ppm1 9.339 ppm2 5.327 CV 1
ASSI { 1201}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 51 and name HA ))
3.100 1.200 1.200 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.11863E-02 ppm1 9.341 ppm2 5.765 CV 1
ASSI { 1203}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 69 and name HG1%)
4.200 2.200 1.800 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.50081E-03 ppm1 9.484 ppm2 0.598 CV 1
ASSI { 1207}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HA ))
2.800 1.000 1.000 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.19045E-02 ppm1 9.488 ppm2 4.964 CV 1
ASSI { 1208}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HA ))
2.200 0.600 0.600 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.87211E-02 ppm1 9.488 ppm2 4.221 CV 1
ASSI { 1209}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 59 and name HD2%)
3.500 1.600 1.600 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.13338E-02 ppm1 9.488 ppm2 0.112 CV 1
ASSI { 1210}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 108 and name HB3 ))
2.600 0.800 0.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.24432E-02 ppm1 9.488 ppm2 2.355 CV 1
ASSI { 1212}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 59 and name HD1%)
2.900 1.100 1.100 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.43476E-02 ppm1 9.489 ppm2 0.948 CV 1
ASSI { 1213}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 108 and name HB2 ))
4.400 2.400 1.600 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.11286E-02 ppm1 9.489 ppm2 2.902 CV 1
ASSI { 1214}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HB3 ))
2.500 0.800 0.800 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.40399E-02 ppm1 9.489 ppm2 1.405 CV 1
ASSI { 1215}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HG ))
3.300 3.300 2.700 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.68613E-03 ppm1 9.489 ppm2 0.290 CV 1
ASSI { 1216}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HB2 ))
3.100 1.200 1.200 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.21995E-02 ppm1 9.490 ppm2 2.202 CV 1
ASSI { 1218}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 80 and name HB3 ))
3.600 1.600 1.600 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.13274E-02 ppm1 9.558 ppm2 3.978 CV 1
OR { 1218}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 80 and name HB2 ))
ASSI { 1220}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HG12))
3.300 1.400 1.400 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.73746E-03 ppm1 9.559 ppm2 1.242 CV 1
ASSI { 1221}
(( segid " " and resid 100 and name HN ))
( segid " " and resid 81 and name HG1%)
3.900 1.900 1.900 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.66691E-03 ppm1 9.560 ppm2 0.853 CV 1
ASSI { 1223}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 99 and name HA ))
2.100 0.500 0.500 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.13659E-01 ppm1 9.561 ppm2 5.270 CV 1
ASSI { 1225}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HG13))
2.700 0.900 0.900 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.96826E-02 ppm1 9.561 ppm2 1.114 CV 1
ASSI { 1226}
(( segid " " and resid 100 and name HN ))
( segid " " and resid 99 and name HG2%)
3.100 1.200 1.200 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.20327E-02 ppm1 9.561 ppm2 0.981 CV 1
ASSI { 1227}
(( segid " " and resid 100 and name HN ))
( segid " " and resid 100 and name HD1%)
3.500 1.500 1.500 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.10196E-02 ppm1 9.561 ppm2 0.496 CV 1
ASSI { 1228}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HA ))
2.800 0.900 0.900 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.27253E-02 ppm1 9.562 ppm2 4.297 CV 1
ASSI { 1229}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 99 and name HB ))
5.300 3.500 0.700 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.12953E-03 ppm1 9.563 ppm2 3.865 CV 1
ASSI { 1231}
(( segid " " and resid 84 and name HN ))
( segid " " and resid 71 and name HD% )
3.800 1.900 1.900 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.42066E-03 ppm1 9.594 ppm2 6.711 CV 1
ASSI { 1232}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 70 and name HA ))
6.000 5.300 0.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.34307E-04 ppm1 9.594 ppm2 4.534 CV 1
ASSI { 1233}
(( segid " " and resid 84 and name HN ))
( segid " " and resid 83 and name HD1%)
3.800 1.800 1.800 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.15454E-02 ppm1 9.595 ppm2 0.436 CV 1
ASSI { 1234}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 72 and name HA ))
4.200 2.300 1.800 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.41745E-03 ppm1 9.596 ppm2 3.900 CV 1
ASSI { 1238}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HB2 ))
4.100 2.100 1.900 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.31036E-03 ppm1 9.597 ppm2 4.135 CV 1
ASSI { 1239}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 71 and name HB2 ))
2.800 2.800 3.200 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.11735E-02 ppm1 9.597 ppm2 3.232 CV 1
ASSI { 1240}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HB ))
2.400 0.700 0.700 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.55405E-02 ppm1 9.597 ppm2 1.815 CV 1
ASSI { 1241}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HG12))
4.000 2.000 2.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.10068E-02 ppm1 9.597 ppm2 1.171 CV 1
ASSI { 1242}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HB3 ))
2.800 1.000 1.000 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.31357E-02 ppm1 9.598 ppm2 4.007 CV 1
ASSI { 1243}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 73 and name HG2 ))
3.600 1.600 1.600 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.15454E-02 ppm1 9.598 ppm2 2.625 CV 1
ASSI { 1244}
(( segid " " and resid 84 and name HN ))
( segid " " and resid 70 and name HB% )
3.300 1.300 1.300 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.14364E-02 ppm1 9.598 ppm2 1.346 CV 1
ASSI { 1245}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HG13))
3.400 1.500 1.500 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.13210E-02 ppm1 9.598 ppm2 0.970 CV 1
ASSI { 1246}
(( segid " " and resid 84 and name HN ))
( segid " " and resid 83 and name HG2%)
3.600 1.600 1.600 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.19622E-02 ppm1 9.598 ppm2 0.749 CV 1
ASSI { 1249}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 38 and name HE3 ))
3.200 3.200 2.800 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.17249E-02 ppm1 9.656 ppm2 7.345 CV 1
ASSI { 1250}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 17 and name HB ))
3.300 1.300 1.300 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.11542E-02 ppm1 9.656 ppm2 3.826 CV 1
ASSI { 1251}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 35 and name HA ))
3.200 1.300 1.300 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.14171E-02 ppm1 9.656 ppm2 2.928 CV 1
ASSI { 1252}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 32 and name HA ))
4.900 3.000 1.100 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.19237E-03 ppm1 9.656 ppm2 4.488 CV 1
ASSI { 1253}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 38 and name HD1 ))
2.800 1.000 1.000 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.28087E-02 ppm1 9.657 ppm2 7.198 CV 1
ASSI { 1254}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 32 and name HZ2 ))
3.300 1.400 1.400 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.12889E-02 ppm1 9.657 ppm2 5.932 CV 1
OR { 1254}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 32 and name HE3 ))
ASSI { 1255}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 32 and name HB2 ))
3.000 1.100 1.100 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 9.657 ppm2 2.634 CV 1
OR { 1255}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 32 and name HB3 ))
ASSI { 1256}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 35 and name HN ))
4.200 2.200 1.800 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.34627E-03 ppm1 9.657 ppm2 8.777 CV 1
ASSI { 1257}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 38 and name HA ))
5.100 3.200 0.900 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.21930E-03 ppm1 9.657 ppm2 4.161 CV 1
ASSI { 1258}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 38 and name HZ2 ))
2.700 2.700 3.300 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.36230E-02 ppm1 9.658 ppm2 7.046 CV 1
ASSI { 1259}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 69 and name HN ))
5.200 5.200 0.800 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.63612E-03 ppm1 9.658 ppm2 6.058 CV 1
ASSI { 1261}
(( segid " " and resid 38 and name HE1 ))
( segid " " and resid 17 and name HG2%)
2.800 1.000 1.000 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.32383E-02 ppm1 9.658 ppm2 0.942 CV 1
ASSI { 1264}
(( segid " " and resid 32 and name HE1 ))
(( segid " " and resid 34 and name HB2 ))
6.000 6.000 0.000 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.38154E-05 ppm1 10.080 ppm2 3.272 CV 1
ASSI { 1265}
(( segid " " and resid 32 and name HE1 ))
( segid " " and resid 21 and name HD% )
5.000 3.100 1.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.16095E-03 ppm1 10.083 ppm2 6.812 CV 1
ASSI { 1266}
(( segid " " and resid 32 and name HE1 ))
(( segid " " and resid 32 and name HZ2 ))
6.000 6.000 0.000 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.13210E-04 ppm1 10.084 ppm2 5.971 CV 1
ASSI { 1267}
(( segid " " and resid 32 and name HE1 ))
(( segid " " and resid 32 and name HD1 ))
3.800 1.800 1.800 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.40591E-03 ppm1 10.086 ppm2 6.665 CV 1
ASSI { 1268}
(( segid " " and resid 32 and name HE1 ))
(( segid " " and resid 17 and name HB ))
3.600 1.600 1.600 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.45080E-03 ppm1 10.086 ppm2 3.820 CV 1
ASSI { 1270}
(( segid " " and resid 32 and name HE1 ))
(( segid " " and resid 38 and name HZ2 ))
4.600 2.600 1.400 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.27894E-03 ppm1 10.087 ppm2 7.127 CV 1
ASSI { 1271}
(( segid " " and resid 32 and name HE1 ))
(( segid " " and resid 29 and name HA1 ))
3.400 3.400 2.600 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.12248E-02 ppm1 10.087 ppm2 2.681 CV 1
ASSI { 1272}
(( segid " " and resid 32 and name HE1 ))
( segid " " and resid 41 and name HB% )
4.300 4.300 1.700 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.51172E-03 ppm1 10.088 ppm2 0.423 CV 1
ASSI { 1276}
(( segid " " and resid 18 and name HE1 ))
(( segid " " and resid 18 and name HH2 ))
3.800 1.800 1.800 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.16160E-02 ppm1 10.678 ppm2 7.513 CV 1
ASSI { 1277}
(( segid " " and resid 18 and name HE1 ))
(( segid " " and resid 18 and name HZ2 ))
3.300 1.400 1.400 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.11735E-02 ppm1 10.680 ppm2 7.697 CV 1
ASSI { 1278}
(( segid " " and resid 18 and name HE1 ))
(( segid " " and resid 18 and name HD1 ))
2.900 1.000 1.000 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.20841E-02 ppm1 10.680 ppm2 7.347 CV 1
ASSI { 1279}
(( segid " " and resid 18 and name HE1 ))
( segid " " and resid 13 and name HB% )
3.800 1.800 1.800 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.91055E-03 ppm1 10.681 ppm2 0.838 CV 1
ASSI { 1281}
(( segid " " and resid 18 and name HE1 ))
(( segid " " and resid 9 and name HB2 ))
4.900 3.000 1.100 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.28343E-03 ppm1 10.683 ppm2 3.208 CV 1
ASSI { 1282}
(( segid " " and resid 18 and name HE1 ))
(( segid " " and resid 9 and name HD21))
4.500 2.500 1.500 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.23213E-03 ppm1 10.683 ppm2 6.991 CV 1
ASSI { 1283}
(( segid " " and resid 18 and name HE1 ))
(( segid " " and resid 9 and name HD22))
4.900 3.000 1.100 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.31229E-03 ppm1 10.684 ppm2 6.147 CV 1
ASSI { 2}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 69 and name HG2%)
2.600 0.800 0.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.40317E-02 ppm1 -0.137 ppm2 3.276 CV 1
ASSI { 4}
( segid " " and resid 69 and name HG1%)
( segid " " and resid 69 and name HG2%)
2.400 2.400 3.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.67095E-02 ppm1 -0.136 ppm2 0.604 CV 1
ASSI { 5}
( segid " " and resid 17 and name HG2%)
( segid " " and resid 69 and name HG2%)
2.300 0.700 0.700 peak 5 spectrum 1 weight 0.10000E+01 volume 0.73112E-02 ppm1 -0.136 ppm2 0.899 CV 1
ASSI { 6}
( segid " " and resid 35 and name HB% )
( segid " " and resid 69 and name HG2%)
2.200 0.600 0.600 peak 6 spectrum 1 weight 0.10000E+01 volume 0.94473E-02 ppm1 -0.135 ppm2 1.091 CV 1
ASSI { 8}
(( segid " " and resid 38 and name HZ3 ))
( segid " " and resid 69 and name HG2%)
4.100 2.100 1.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.44228E-03 ppm1 -0.125 ppm2 6.820 CV 1
ASSI { 10}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HG3 ))
1.900 1.900 4.100 peak 10 spectrum 1 weight 0.10000E+01 volume 0.11343E-01 ppm1 -0.017 ppm2 0.441 CV 1
ASSI { 11}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HG3 ))
2.400 0.700 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.58370E-02 ppm1 -0.016 ppm2 1.123 CV 1
OR { 11}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HG3 ))
OR { 11}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HG3 ))
ASSI { 13}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HG3 ))
2.500 2.500 3.500 peak 13 spectrum 1 weight 0.10000E+01 volume 0.38512E-02 ppm1 -0.015 ppm2 0.582 CV 1
ASSI { 16}
( segid " " and resid 59 and name HD1%)
( segid " " and resid 59 and name HD2%)
2.300 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.98688E-02 ppm1 0.099 ppm2 0.956 CV 1
ASSI { 17}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 59 and name HD2%)
2.500 0.800 0.800 peak 17 spectrum 1 weight 0.10000E+01 volume 0.60477E-02 ppm1 0.103 ppm2 1.328 CV 1
ASSI { 20}
(( segid " " and resid 108 and name HB2 ))
( segid " " and resid 59 and name HD2%)
4.600 2.700 1.400 peak 20 spectrum 1 weight 0.10000E+01 volume 0.22054E-03 ppm1 0.110 ppm2 2.890 CV 1
ASSI { 21}
(( segid " " and resid 68 and name HD2 ))
( segid " " and resid 59 and name HD2%)
3.500 3.500 2.500 peak 21 spectrum 1 weight 0.10000E+01 volume 0.28944E-03 ppm1 0.110 ppm2 6.041 CV 1
ASSI { 25}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 28 and name HD1%)
4.400 2.500 1.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.69503E-03 ppm1 0.145 ppm2 2.877 CV 1
ASSI { 26}
( segid " " and resid 58 and name HD1%)
( segid " " and resid 28 and name HD1%)
2.200 0.600 0.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.83645E-02 ppm1 0.146 ppm2 1.048 CV 1
ASSI { 27}
(( segid " " and resid 38 and name HH2 ))
( segid " " and resid 28 and name HD1%)
3.500 1.500 1.500 peak 27 spectrum 1 weight 0.10000E+01 volume 0.58970E-03 ppm1 0.146 ppm2 6.302 CV 1
ASSI { 29}
(( segid " " and resid 28 and name HG12))
( segid " " and resid 28 and name HD1%)
2.100 2.100 3.900 peak 29 spectrum 1 weight 0.10000E+01 volume 0.11614E-01 ppm1 0.147 ppm2 0.733 CV 1
ASSI { 31}
(( segid " " and resid 32 and name HZ3 ))
( segid " " and resid 28 and name HD1%)
3.500 3.500 2.500 peak 31 spectrum 1 weight 0.10000E+01 volume 0.50848E-03 ppm1 0.148 ppm2 5.932 CV 1
ASSI { 33}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 28 and name HD1%)
3.900 1.900 1.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.65894E-03 ppm1 0.158 ppm2 4.033 CV 1
ASSI { 37}
(( segid " " and resid 108 and name HB3 ))
(( segid " " and resid 59 and name HG ))
3.500 1.500 1.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.53255E-03 ppm1 0.259 ppm2 2.338 CV 1
ASSI { 38}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HG ))
3.400 1.400 1.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.85147E-03 ppm1 0.260 ppm2 4.204 CV 1
ASSI { 40}
( segid " " and resid 108 and name HD% )
(( segid " " and resid 59 and name HG ))
3.100 1.200 1.200 peak 40 spectrum 1 weight 0.10000E+01 volume 0.14292E-02 ppm1 0.263 ppm2 7.063 CV 1
ASSI { 41}
( segid " " and resid 83 and name HG2%)
(( segid " " and resid 59 and name HG ))
2.700 2.700 3.300 peak 41 spectrum 1 weight 0.10000E+01 volume 0.68296E-02 ppm1 0.264 ppm2 0.748 CV 1
ASSI { 42}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HG ))
2.300 0.700 0.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.10110E-01 ppm1 0.264 ppm2 1.317 CV 1
ASSI { 43}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB ))
2.700 0.900 0.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.29967E-02 ppm1 0.322 ppm2 4.035 CV 1
ASSI { 44}
(( segid " " and resid 28 and name HG12))
(( segid " " and resid 28 and name HB ))
2.600 2.600 3.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.40919E-02 ppm1 0.324 ppm2 0.728 CV 1
ASSI { 45}
( segid " " and resid 28 and name HD1%)
(( segid " " and resid 28 and name HB ))
2.600 2.600 3.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.71005E-02 ppm1 0.326 ppm2 0.135 CV 1
ASSI { 46}
(( segid " " and resid 32 and name HZ3 ))
(( segid " " and resid 28 and name HB ))
4.700 2.700 1.300 peak 46 spectrum 1 weight 0.10000E+01 volume 0.31893E-03 ppm1 0.339 ppm2 5.926 CV 1
OR { 46}
(( segid " " and resid 32 and name HE3 ))
(( segid " " and resid 28 and name HB ))
ASSI { 47}
(( segid " " and resid 32 and name HZ3 ))
( segid " " and resid 28 and name HG2%)
3.900 1.900 1.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.17872E-02 ppm1 0.390 ppm2 5.901 CV 1
ASSI { 48}
( segid " " and resid 47 and name HE% )
( segid " " and resid 28 and name HG2%)
3.300 1.400 1.400 peak 48 spectrum 1 weight 0.10000E+01 volume 0.19828E-02 ppm1 0.390 ppm2 7.606 CV 1
ASSI { 51}
( segid " " and resid 28 and name HD1%)
( segid " " and resid 28 and name HG2%)
2.400 2.400 3.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.64387E-02 ppm1 0.392 ppm2 0.146 CV 1
ASSI { 52}
(( segid " " and resid 38 and name HH2 ))
( segid " " and resid 28 and name HG2%)
4.000 2.000 2.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.69803E-03 ppm1 0.394 ppm2 6.284 CV 1
ASSI { 53}
( segid " " and resid 58 and name HD1%)
( segid " " and resid 28 and name HG2%)
2.400 2.400 3.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.93271E-02 ppm1 0.394 ppm2 1.034 CV 1
ASSI { 54}
( segid " " and resid 21 and name HD% )
( segid " " and resid 28 and name HG2%)
4.300 2.300 1.700 peak 54 spectrum 1 weight 0.10000E+01 volume 0.39715E-03 ppm1 0.395 ppm2 6.815 CV 1
ASSI { 55}
( segid " " and resid 70 and name HB% )
( segid " " and resid 83 and name HD1%)
2.100 0.500 0.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.14833E-01 ppm1 0.421 ppm2 1.329 CV 1
ASSI { 56}
(( segid " " and resid 98 and name HB3 ))
( segid " " and resid 83 and name HD1%)
2.400 0.700 0.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.56863E-02 ppm1 0.421 ppm2 1.619 CV 1
ASSI { 57}
(( segid " " and resid 83 and name HA ))
( segid " " and resid 83 and name HD1%)
4.400 2.500 1.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.49644E-03 ppm1 0.421 ppm2 5.640 CV 1
ASSI { 58}
(( segid " " and resid 83 and name HB ))
( segid " " and resid 83 and name HD1%)
2.400 0.700 0.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.60177E-02 ppm1 0.424 ppm2 1.815 CV 1
ASSI { 59}
(( segid " " and resid 83 and name HG13))
( segid " " and resid 83 and name HD1%)
2.200 2.200 3.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.10801E-01 ppm1 0.424 ppm2 0.957 CV 1
ASSI { 60}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HG2 ))
3.500 1.600 1.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.18564E-02 ppm1 0.432 ppm2 2.014 CV 1
ASSI { 63}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HG2 ))
2.200 2.200 3.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.83945E-02 ppm1 0.439 ppm2 1.121 CV 1
OR { 63}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HG2 ))
OR { 63}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HG2 ))
ASSI { 69}
(( segid " " and resid 32 and name HB2 ))
( segid " " and resid 41 and name HB% )
3.200 1.300 1.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.26356E-02 ppm1 0.442 ppm2 2.606 CV 1
OR { 69}
(( segid " " and resid 32 and name HB3 ))
( segid " " and resid 41 and name HB% )
ASSI { 70}
(( segid " " and resid 100 and name HB ))
( segid " " and resid 100 and name HD1%)
2.800 1.000 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.48742E-02 ppm1 0.484 ppm2 1.827 CV 1
ASSI { 71}
(( segid " " and resid 105 and name HA ))
( segid " " and resid 100 and name HD1%)
3.600 1.600 1.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.17240E-02 ppm1 0.487 ppm2 4.056 CV 1
ASSI { 72}
(( segid " " and resid 100 and name HA ))
( segid " " and resid 100 and name HD1%)
2.900 1.000 1.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.18985E-02 ppm1 0.487 ppm2 4.279 CV 1
ASSI { 74}
(( segid " " and resid 100 and name HG12))
( segid " " and resid 100 and name HD1%)
2.100 2.100 3.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.11403E-01 ppm1 0.491 ppm2 1.229 CV 1
ASSI { 75}
( segid " " and resid 100 and name HG2%)
( segid " " and resid 100 and name HD1%)
2.800 2.800 3.200 peak 75 spectrum 1 weight 0.10000E+01 volume 0.27139E-02 ppm1 0.492 ppm2 1.018 CV 1
ASSI { 80}
(( segid " " and resid 72 and name HB ))
( segid " " and resid 72 and name HG1%)
2.300 0.600 0.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.82138E-02 ppm1 0.511 ppm2 2.208 CV 1
ASSI { 82}
(( segid " " and resid 75 and name HB ))
( segid " " and resid 75 and name HG1%)
2.200 0.600 0.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.11975E-01 ppm1 0.544 ppm2 1.854 CV 1
ASSI { 86}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 23 and name HB3 ))
3.700 1.700 1.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.17270E-02 ppm1 0.573 ppm2 3.026 CV 1
ASSI { 89}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB3 ))
2.600 0.900 0.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.28222E-02 ppm1 0.577 ppm2 3.602 CV 1
ASSI { 90}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HB3 ))
1.800 1.800 4.200 peak 90 spectrum 1 weight 0.10000E+01 volume 0.15947E-01 ppm1 0.580 ppm2 1.141 CV 1
ASSI { 91}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HB3 ))
2.100 2.100 3.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.25002E-01 ppm1 0.581 ppm2 0.460 CV 1
ASSI { 92}
(( segid " " and resid 68 and name HB3 ))
( segid " " and resid 69 and name HG1%)
2.800 2.800 3.200 peak 92 spectrum 1 weight 0.10000E+01 volume 0.34600E-02 ppm1 0.599 ppm2 2.522 CV 1
ASSI { 94}
( segid " " and resid 35 and name HB% )
( segid " " and resid 69 and name HG1%)
2.000 2.000 4.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.16518E-01 ppm1 0.602 ppm2 1.106 CV 1
ASSI { 95}
(( segid " " and resid 69 and name HB ))
( segid " " and resid 69 and name HG1%)
2.300 0.600 0.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.75220E-02 ppm1 0.602 ppm2 1.667 CV 1
ASSI { 96}
(( segid " " and resid 38 and name HB2 ))
( segid " " and resid 69 and name HG1%)
2.900 1.100 1.100 peak 96 spectrum 1 weight 0.10000E+01 volume 0.19527E-02 ppm1 0.602 ppm2 3.165 CV 1
OR { 96}
(( segid " " and resid 38 and name HB3 ))
( segid " " and resid 69 and name HG1%)
ASSI { 99}
(( segid " " and resid 60 and name HG3 ))
( segid " " and resid 69 and name HG1%)
3.000 1.200 1.200 peak 99 spectrum 1 weight 0.10000E+01 volume 0.30087E-02 ppm1 0.603 ppm2 2.351 CV 1
ASSI { 100}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 69 and name HG1%)
2.700 0.900 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.24130E-02 ppm1 0.603 ppm2 2.917 CV 1
ASSI { 101}
(( segid " " and resid 38 and name HZ3 ))
( segid " " and resid 69 and name HG1%)
3.400 1.400 1.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.81237E-03 ppm1 0.604 ppm2 6.822 CV 1
ASSI { 102}
( segid " " and resid 111 and name HD1%)
( segid " " and resid 69 and name HG1%)
1.700 1.700 4.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.19316E-01 ppm1 0.607 ppm2 0.858 CV 1
ASSI { 103}
(( segid " " and resid 10 and name HG ))
( segid " " and resid 10 and name HD2%)
2.100 2.100 3.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.15615E-01 ppm1 0.628 ppm2 1.356 CV 1
ASSI { 107}
(( segid " " and resid 10 and name HB3 ))
( segid " " and resid 10 and name HD1%)
2.400 2.400 3.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.71305E-02 ppm1 0.650 ppm2 1.231 CV 1
ASSI { 108}
(( segid " " and resid 10 and name HB2 ))
( segid " " and resid 10 and name HD1%)
2.400 0.700 0.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.69503E-02 ppm1 0.650 ppm2 1.434 CV 1
ASSI { 109}
(( segid " " and resid 47 and name HB3 ))
( segid " " and resid 111 and name HG2%)
3.100 1.200 1.200 peak 109 spectrum 1 weight 0.10000E+01 volume 0.19406E-02 ppm1 0.712 ppm2 2.695 CV 1
ASSI { 111}
(( segid " " and resid 47 and name HB2 ))
( segid " " and resid 111 and name HG2%)
3.200 1.300 1.300 peak 111 spectrum 1 weight 0.10000E+01 volume 0.15134E-02 ppm1 0.716 ppm2 3.062 CV 1
ASSI { 113}
(( segid " " and resid 111 and name HB ))
( segid " " and resid 111 and name HG2%)
2.100 0.500 0.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.10019E-01 ppm1 0.717 ppm2 1.963 CV 1
ASSI { 114}
(( segid " " and resid 32 and name HE3 ))
( segid " " and resid 111 and name HG2%)
4.100 2.100 1.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.14292E-02 ppm1 0.718 ppm2 5.900 CV 1
ASSI { 116}
(( segid " " and resid 38 and name HH2 ))
( segid " " and resid 111 and name HG2%)
4.100 2.100 1.900 peak 116 spectrum 1 weight 0.10000E+01 volume 0.76421E-03 ppm1 0.719 ppm2 6.293 CV 1
ASSI { 118}
( segid " " and resid 21 and name HE% )
(( segid " " and resid 28 and name HG12))
3.400 1.400 1.400 peak 118 spectrum 1 weight 0.10000E+01 volume 0.10260E-02 ppm1 0.727 ppm2 6.373 CV 1
ASSI { 120}
(( segid " " and resid 72 and name HA ))
( segid " " and resid 83 and name HG2%)
2.400 0.700 0.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.57469E-02 ppm1 0.739 ppm2 3.877 CV 1
ASSI { 121}
(( segid " " and resid 83 and name HA ))
( segid " " and resid 83 and name HG2%)
2.400 0.700 0.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.54761E-02 ppm1 0.739 ppm2 5.644 CV 1
ASSI { 122}
( segid " " and resid 83 and name HD1%)
( segid " " and resid 83 and name HG2%)
2.400 2.400 3.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.58069E-02 ppm1 0.739 ppm2 0.428 CV 1
ASSI { 124}
(( segid " " and resid 83 and name HB ))
( segid " " and resid 83 and name HG2%)
2.100 0.600 0.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.10350E-01 ppm1 0.740 ppm2 1.817 CV 1
ASSI { 129}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 49 and name HG2%)
6.000 6.000 0.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.12276E-04 ppm1 0.756 ppm2 3.749 CV 1
ASSI { 130}
(( segid " " and resid 113 and name HB ))
( segid " " and resid 113 and name HD1%)
2.600 0.800 0.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.55962E-02 ppm1 0.780 ppm2 1.864 CV 1
ASSI { 131}
(( segid " " and resid 24 and name HB ))
( segid " " and resid 113 and name HD1%)
2.800 2.800 3.200 peak 131 spectrum 1 weight 0.10000E+01 volume 0.43326E-02 ppm1 0.780 ppm2 2.484 CV 1
ASSI { 132}
(( segid " " and resid 113 and name HG12))
( segid " " and resid 113 and name HD1%)
2.400 2.400 3.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.68903E-02 ppm1 0.781 ppm2 1.442 CV 1
ASSI { 133}
(( segid " " and resid 113 and name HA ))
( segid " " and resid 113 and name HD1%)
3.400 1.400 1.400 peak 133 spectrum 1 weight 0.10000E+01 volume 0.16789E-02 ppm1 0.781 ppm2 4.303 CV 1
ASSI { 134}
( segid " " and resid 86 and name HE% )
( segid " " and resid 95 and name HG1%)
2.500 0.800 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.74314E-02 ppm1 0.782 ppm2 2.219 CV 1
OR { 134}
(( segid " " and resid 86 and name HG2 ))
( segid " " and resid 95 and name HG1%)
ASSI { 135}
(( segid " " and resid 95 and name HB ))
( segid " " and resid 95 and name HG1%)
2.300 0.600 0.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.95073E-02 ppm1 0.783 ppm2 1.884 CV 1
ASSI { 136}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 113 and name HD1%)
2.500 2.500 3.500 peak 136 spectrum 1 weight 0.10000E+01 volume 0.68296E-02 ppm1 0.783 ppm2 1.664 CV 1
ASSI { 137}
( segid " " and resid 47 and name HE% )
( segid " " and resid 113 and name HD1%)
3.500 3.500 2.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.95379E-03 ppm1 0.784 ppm2 7.643 CV 1
ASSI { 138}
(( segid " " and resid 86 and name HG3 ))
( segid " " and resid 95 and name HG1%)
3.200 1.300 1.300 peak 138 spectrum 1 weight 0.10000E+01 volume 0.18383E-02 ppm1 0.785 ppm2 2.082 CV 1
ASSI { 139}
( segid " " and resid 28 and name HD1%)
( segid " " and resid 24 and name HG2%)
2.400 2.400 3.600 peak 139 spectrum 1 weight 0.10000E+01 volume 0.46334E-02 ppm1 0.791 ppm2 0.137 CV 1
ASSI { 140}
(( segid " " and resid 24 and name HB ))
( segid " " and resid 24 and name HG2%)
2.200 0.600 0.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.82739E-02 ppm1 0.792 ppm2 2.477 CV 1
ASSI { 142}
( segid " " and resid 28 and name HG2%)
( segid " " and resid 24 and name HG2%)
2.800 2.800 3.200 peak 142 spectrum 1 weight 0.10000E+01 volume 0.36105E-02 ppm1 0.793 ppm2 0.384 CV 1
OR { 142}
(( segid " " and resid 28 and name HG13))
( segid " " and resid 24 and name HG2%)
ASSI { 143}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HG2%)
3.700 1.700 1.700 peak 143 spectrum 1 weight 0.10000E+01 volume 0.87555E-03 ppm1 0.795 ppm2 4.394 CV 1
ASSI { 146}
( segid " " and resid 75 and name HG1%)
( segid " " and resid 75 and name HG2%)
4.700 4.700 1.300 peak 146 spectrum 1 weight 0.10000E+01 volume 0.13238E-03 ppm1 0.803 ppm2 0.547 CV 1
ASSI { 151}
(( segid " " and resid 72 and name HA ))
( segid " " and resid 72 and name HG2%)
2.600 0.800 0.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.37609E-02 ppm1 0.814 ppm2 3.876 CV 1
ASSI { 152}
(( segid " " and resid 72 and name HB ))
( segid " " and resid 72 and name HG2%)
2.300 0.600 0.600 peak 152 spectrum 1 weight 0.10000E+01 volume 0.77022E-02 ppm1 0.814 ppm2 2.206 CV 1
ASSI { 153}
( segid " " and resid 110 and name HD% )
( segid " " and resid 72 and name HG2%)
2.900 2.900 3.100 peak 153 spectrum 1 weight 0.10000E+01 volume 0.90864E-03 ppm1 0.814 ppm2 6.521 CV 1
ASSI { 154}
(( segid " " and resid 38 and name HZ3 ))
( segid " " and resid 72 and name HG2%)
4.500 2.600 1.500 peak 154 spectrum 1 weight 0.10000E+01 volume 0.58670E-03 ppm1 0.814 ppm2 6.865 CV 1
ASSI { 155}
(( segid " " and resid 38 and name HH2 ))
( segid " " and resid 72 and name HG2%)
4.900 3.000 1.100 peak 155 spectrum 1 weight 0.10000E+01 volume 0.94473E-03 ppm1 0.814 ppm2 6.303 CV 1
ASSI { 158}
(( segid " " and resid 111 and name HB ))
(( segid " " and resid 111 and name HG13))
2.800 1.000 1.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 0.847 ppm2 1.966 CV 1
ASSI { 159}
(( segid " " and resid 111 and name HG12))
(( segid " " and resid 111 and name HG13))
1.900 1.900 4.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.10079E-01 ppm1 0.848 ppm2 1.606 CV 1
ASSI { 160}
(( segid " " and resid 38 and name HE3 ))
( segid " " and resid 111 and name HD1%)
3.000 1.100 1.100 peak 160 spectrum 1 weight 0.10000E+01 volume 0.17481E-02 ppm1 0.849 ppm2 7.313 CV 1
ASSI { 161}
(( segid " " and resid 38 and name HH2 ))
( segid " " and resid 111 and name HD1%)
2.900 1.100 1.100 peak 161 spectrum 1 weight 0.10000E+01 volume 0.14442E-02 ppm1 0.849 ppm2 6.287 CV 1
ASSI { 162}
(( segid " " and resid 111 and name HG12))
( segid " " and resid 111 and name HD1%)
2.000 2.000 4.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.12757E-01 ppm1 0.850 ppm2 1.596 CV 1
ASSI { 163}
(( segid " " and resid 111 and name HB ))
( segid " " and resid 111 and name HD1%)
2.400 0.700 0.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.80937E-02 ppm1 0.850 ppm2 1.965 CV 1
ASSI { 164}
(( segid " " and resid 38 and name HB3 ))
( segid " " and resid 111 and name HD1%)
2.600 0.900 0.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.40317E-02 ppm1 0.850 ppm2 3.166 CV 1
OR { 164}
(( segid " " and resid 38 and name HB2 ))
( segid " " and resid 111 and name HD1%)
ASSI { 166}
(( segid " " and resid 111 and name HA ))
( segid " " and resid 111 and name HD1%)
4.100 2.100 1.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.98087E-03 ppm1 0.850 ppm2 4.383 CV 1
ASSI { 167}
(( segid " " and resid 111 and name HA ))
(( segid " " and resid 111 and name HG13))
3.400 1.400 1.400 peak 167 spectrum 1 weight 0.10000E+01 volume 0.11975E-02 ppm1 0.851 ppm2 4.383 CV 1
ASSI { 168}
(( segid " " and resid 32 and name HZ2 ))
( segid " " and resid 111 and name HD1%)
4.800 2.800 1.200 peak 168 spectrum 1 weight 0.10000E+01 volume 0.15585E-03 ppm1 0.851 ppm2 5.943 CV 1
ASSI { 170}
(( segid " " and resid 75 and name HA ))
( segid " " and resid 81 and name HG1%)
2.700 0.900 0.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.27590E-02 ppm1 0.857 ppm2 4.323 CV 1
ASSI { 172}
( segid " " and resid 72 and name HG1%)
( segid " " and resid 81 and name HG1%)
2.200 2.200 3.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.11463E-01 ppm1 0.869 ppm2 0.514 CV 1
ASSI { 173}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 17 and name HG2%)
2.400 0.700 0.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.68903E-02 ppm1 0.888 ppm2 3.275 CV 1
ASSI { 176}
(( segid " " and resid 47 and name HB3 ))
( segid " " and resid 42 and name HB% )
2.800 1.000 1.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.58970E-02 ppm1 0.891 ppm2 2.701 CV 1
ASSI { 178}
(( segid " " and resid 32 and name HE3 ))
( segid " " and resid 42 and name HB% )
3.300 1.400 1.400 peak 178 spectrum 1 weight 0.10000E+01 volume 0.16849E-02 ppm1 0.893 ppm2 5.904 CV 1
ASSI { 179}
( segid " " and resid 47 and name HD% )
( segid " " and resid 42 and name HB% )
2.800 1.000 1.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.17059E-02 ppm1 0.894 ppm2 7.668 CV 1
ASSI { 183}
(( segid " " and resid 42 and name HA ))
( segid " " and resid 42 and name HB% )
2.200 0.600 0.600 peak 183 spectrum 1 weight 0.10000E+01 volume 0.95073E-02 ppm1 0.894 ppm2 3.242 CV 1
ASSI { 184}
(( segid " " and resid 113 and name HB ))
( segid " " and resid 113 and name HG2%)
2.200 0.600 0.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.11975E-01 ppm1 0.895 ppm2 1.855 CV 1
ASSI { 185}
(( segid " " and resid 38 and name HH2 ))
( segid " " and resid 42 and name HB% )
3.700 3.700 2.300 peak 185 spectrum 1 weight 0.10000E+01 volume 0.11885E-02 ppm1 0.898 ppm2 6.287 CV 1
ASSI { 186}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB3 ))
2.700 0.900 0.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.25996E-02 ppm1 0.916 ppm2 4.033 CV 1
ASSI { 187}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HB3 ))
1.800 0.400 0.400 peak 187 spectrum 1 weight 0.10000E+01 volume 0.18834E-01 ppm1 0.918 ppm2 1.889 CV 1
ASSI { 190}
(( segid " " and resid 59 and name HG ))
( segid " " and resid 59 and name HD1%)
1.900 1.900 4.100 peak 190 spectrum 1 weight 0.10000E+01 volume 0.19286E-01 ppm1 0.926 ppm2 0.263 CV 1
ASSI { 191}
( segid " " and resid 108 and name HD% )
( segid " " and resid 59 and name HD1%)
3.300 1.400 1.400 peak 191 spectrum 1 weight 0.10000E+01 volume 0.81838E-03 ppm1 0.927 ppm2 7.076 CV 1
ASSI { 193}
(( segid " " and resid 111 and name HA ))
( segid " " and resid 49 and name HG1%)
2.600 0.800 0.800 peak 193 spectrum 1 weight 0.10000E+01 volume 0.43627E-02 ppm1 0.943 ppm2 4.366 CV 1
ASSI { 194}
(( segid " " and resid 43 and name HG3 ))
( segid " " and resid 49 and name HG1%)
2.900 1.100 1.100 peak 194 spectrum 1 weight 0.10000E+01 volume 0.19737E-02 ppm1 0.943 ppm2 2.357 CV 1
ASSI { 197}
(( segid " " and resid 49 and name HB ))
( segid " " and resid 49 and name HG1%)
2.300 0.600 0.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.88155E-02 ppm1 0.945 ppm2 1.898 CV 1
ASSI { 198}
(( segid " " and resid 111 and name HG12))
( segid " " and resid 49 and name HG1%)
3.000 3.000 3.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.51149E-02 ppm1 0.945 ppm2 1.590 CV 1
ASSI { 199}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 49 and name HG1%)
3.700 1.700 1.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.49343E-03 ppm1 0.946 ppm2 3.760 CV 1
ASSI { 200}
(( segid " " and resid 43 and name HB3 ))
( segid " " and resid 49 and name HG1%)
3.500 1.500 1.500 peak 200 spectrum 1 weight 0.10000E+01 volume 0.19918E-02 ppm1 0.949 ppm2 2.128 CV 1
OR { 200}
(( segid " " and resid 43 and name HB2 ))
( segid " " and resid 49 and name HG1%)
ASSI { 202}
( segid " " and resid 83 and name HG2%)
(( segid " " and resid 83 and name HG13))
3.200 3.200 2.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.26266E-02 ppm1 0.954 ppm2 0.741 CV 1
ASSI { 203}
(( segid " " and resid 83 and name HG12))
(( segid " " and resid 83 and name HG13))
1.700 1.700 4.300 peak 203 spectrum 1 weight 0.10000E+01 volume 0.22054E-01 ppm1 0.958 ppm2 1.199 CV 1
ASSI { 204}
( segid " " and resid 71 and name HE% )
( segid " " and resid 24 and name HG1%)
2.400 0.700 0.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.61979E-02 ppm1 0.960 ppm2 6.678 CV 1
ASSI { 205}
(( segid " " and resid 98 and name HB2 ))
(( segid " " and resid 83 and name HG13))
2.800 2.800 3.200 peak 205 spectrum 1 weight 0.10000E+01 volume 0.24431E-02 ppm1 0.961 ppm2 1.644 CV 1
OR { 205}
(( segid " " and resid 98 and name HB3 ))
(( segid " " and resid 83 and name HG13))
ASSI { 206}
(( segid " " and resid 24 and name HB ))
( segid " " and resid 24 and name HG1%)
2.200 0.600 0.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.10741E-01 ppm1 0.965 ppm2 2.484 CV 1
ASSI { 207}
(( segid " " and resid 58 and name HG12))
(( segid " " and resid 58 and name HG13))
1.900 0.500 0.500 peak 207 spectrum 1 weight 0.10000E+01 volume 0.11674E-01 ppm1 0.967 ppm2 1.847 CV 1
ASSI { 208}
(( segid " " and resid 80 and name HB3 ))
( segid " " and resid 99 and name HG2%)
2.300 0.600 0.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.97782E-02 ppm1 0.970 ppm2 3.976 CV 1
OR { 208}
(( segid " " and resid 80 and name HB2 ))
( segid " " and resid 99 and name HG2%)
ASSI { 210}
(( segid " " and resid 99 and name HB ))
( segid " " and resid 99 and name HG2%)
2.200 0.600 0.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.12156E-01 ppm1 0.972 ppm2 3.835 CV 1
ASSI { 212}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HG1%)
2.800 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.26597E-02 ppm1 0.975 ppm2 4.413 CV 1
ASSI { 214}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 59 and name HB3 ))
2.600 0.900 0.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.32795E-02 ppm1 0.986 ppm2 0.104 CV 1
ASSI { 215}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HB3 ))
1.900 1.900 4.100 peak 215 spectrum 1 weight 0.10000E+01 volume 0.13329E-01 ppm1 0.988 ppm2 1.318 CV 1
ASSI { 216}
(( segid " " and resid 59 and name HG ))
(( segid " " and resid 59 and name HB3 ))
2.600 2.600 3.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.27500E-02 ppm1 0.988 ppm2 0.263 CV 1
ASSI { 217}
(( segid " " and resid 69 and name HB ))
( segid " " and resid 20 and name HG2%)
2.400 2.400 3.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.61679E-02 ppm1 0.991 ppm2 1.666 CV 1
ASSI { 220}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB3 ))
3.400 1.400 1.400 peak 220 spectrum 1 weight 0.10000E+01 volume 0.10049E-02 ppm1 0.993 ppm2 4.213 CV 1
ASSI { 221}
( segid " " and resid 69 and name HG2%)
( segid " " and resid 20 and name HG2%)
2.500 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.40618E-02 ppm1 0.994 ppm2 -0.134 CV 1
ASSI { 223}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 20 and name HG2%)
3.100 1.200 1.200 peak 223 spectrum 1 weight 0.10000E+01 volume 0.17842E-02 ppm1 0.994 ppm2 4.479 CV 1
ASSI { 225}
(( segid " " and resid 104 and name HB2 ))
( segid " " and resid 100 and name HG2%)
2.400 0.700 0.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.71605E-02 ppm1 1.008 ppm2 2.193 CV 1
ASSI { 226}
( segid " " and resid 108 and name HD% )
( segid " " and resid 100 and name HG2%)
3.100 1.200 1.200 peak 226 spectrum 1 weight 0.10000E+01 volume 0.11674E-02 ppm1 1.011 ppm2 7.059 CV 1
ASSI { 227}
( segid " " and resid 108 and name HE% )
( segid " " and resid 100 and name HG2%)
2.600 0.800 0.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.35804E-02 ppm1 1.014 ppm2 6.726 CV 1
ASSI { 228}
( segid " " and resid 105 and name HB% )
( segid " " and resid 100 and name HG2%)
2.300 2.300 3.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.75520E-02 ppm1 1.014 ppm2 1.513 CV 1
ASSI { 231}
(( segid " " and resid 100 and name HB ))
( segid " " and resid 100 and name HG2%)
2.100 0.500 0.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.12216E-01 ppm1 1.015 ppm2 1.833 CV 1
ASSI { 233}
( segid " " and resid 83 and name HD1%)
(( segid " " and resid 59 and name HB3 ))
2.900 2.900 3.100 peak 233 spectrum 1 weight 0.10000E+01 volume 0.31592E-02 ppm1 1.031 ppm2 0.423 CV 1
ASSI { 234}
(( segid " " and resid 28 and name HG13))
( segid " " and resid 58 and name HD1%)
2.700 2.700 3.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.44529E-02 ppm1 1.034 ppm2 0.391 CV 1
OR { 234}
( segid " " and resid 28 and name HG2%)
( segid " " and resid 58 and name HD1%)
ASSI { 236}
(( segid " " and resid 58 and name HG12))
( segid " " and resid 58 and name HD1%)
2.200 0.600 0.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.10440E-01 ppm1 1.036 ppm2 1.849 CV 1
ASSI { 237}
(( segid " " and resid 38 and name HZ3 ))
( segid " " and resid 58 and name HD1%)
2.900 1.000 1.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.24822E-02 ppm1 1.036 ppm2 6.831 CV 1
ASSI { 238}
(( segid " " and resid 38 and name HH2 ))
( segid " " and resid 58 and name HD1%)
3.400 1.500 1.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.74920E-03 ppm1 1.036 ppm2 6.279 CV 1
ASSI { 239}
(( segid " " and resid 38 and name HE3 ))
( segid " " and resid 58 and name HD1%)
3.900 1.900 1.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.11523E-02 ppm1 1.038 ppm2 7.313 CV 1
ASSI { 240}
(( segid " " and resid 20 and name HB ))
( segid " " and resid 20 and name HG1%)
2.200 0.600 0.600 peak 240 spectrum 1 weight 0.10000E+01 volume 0.91164E-02 ppm1 1.083 ppm2 2.018 CV 1
ASSI { 243}
(( segid " " and resid 12 and name HB ))
( segid " " and resid 12 and name HG2%)
2.000 0.500 0.500 peak 243 spectrum 1 weight 0.10000E+01 volume 0.17631E-01 ppm1 1.089 ppm2 3.673 CV 1
OR { 243}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 12 and name HG2%)
ASSI { 244}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 20 and name HG1%)
2.700 0.900 0.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.35804E-02 ppm1 1.091 ppm2 3.014 CV 1
ASSI { 248}
(( segid " " and resid 67 and name HA2 ))
( segid " " and resid 35 and name HB% )
3.100 1.200 1.200 peak 248 spectrum 1 weight 0.10000E+01 volume 0.84846E-03 ppm1 1.096 ppm2 4.178 CV 1
ASSI { 253}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HD3 ))
2.700 2.700 3.300 peak 253 spectrum 1 weight 0.10000E+01 volume 0.26537E-02 ppm1 1.105 ppm2 0.438 CV 1
OR { 253}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HD2 ))
ASSI { 254}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HD2 ))
2.500 0.800 0.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.43627E-02 ppm1 1.105 ppm2 2.012 CV 1
OR { 254}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HD3 ))
ASSI { 255}
(( segid " " and resid 72 and name HB ))
( segid " " and resid 57 and name HB% )
2.900 1.100 1.100 peak 255 spectrum 1 weight 0.10000E+01 volume 0.19436E-02 ppm1 1.105 ppm2 2.205 CV 1
ASSI { 256}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HD3 ))
2.800 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.25544E-02 ppm1 1.106 ppm2 -0.012 CV 1
OR { 256}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HD2 ))
ASSI { 259}
( segid " " and resid 110 and name HD% )
( segid " " and resid 57 and name HB% )
3.200 1.300 1.300 peak 259 spectrum 1 weight 0.10000E+01 volume 0.74920E-03 ppm1 1.108 ppm2 6.499 CV 1
ASSI { 260}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HD2 ))
2.200 0.600 0.600 peak 260 spectrum 1 weight 0.10000E+01 volume 0.89056E-02 ppm1 1.109 ppm2 3.606 CV 1
OR { 260}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HD3 ))
ASSI { 261}
(( segid " " and resid 54 and name HB3 ))
( segid " " and resid 57 and name HB% )
2.900 1.100 1.100 peak 261 spectrum 1 weight 0.10000E+01 volume 0.22205E-02 ppm1 1.109 ppm2 3.707 CV 1
ASSI { 263}
(( segid " " and resid 110 and name HB3 ))
( segid " " and resid 57 and name HB% )
3.400 1.400 1.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.29606E-02 ppm1 1.109 ppm2 1.948 CV 1
ASSI { 264}
( segid " " and resid 110 and name HE% )
( segid " " and resid 57 and name HB% )
3.700 1.700 1.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.69503E-03 ppm1 1.109 ppm2 7.552 CV 1
ASSI { 265}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 57 and name HB% )
3.600 1.600 1.600 peak 265 spectrum 1 weight 0.10000E+01 volume 0.83945E-03 ppm1 1.109 ppm2 2.921 CV 1
ASSI { 266}
(( segid " " and resid 110 and name HB2 ))
( segid " " and resid 57 and name HB% )
3.400 1.400 1.400 peak 266 spectrum 1 weight 0.10000E+01 volume 0.98087E-03 ppm1 1.110 ppm2 2.543 CV 1
ASSI { 268}
( segid " " and resid 19 and name HE% )
(( segid " " and resid 23 and name HD3 ))
4.600 2.600 1.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.12486E-03 ppm1 1.113 ppm2 6.681 CV 1
OR { 268}
( segid " " and resid 19 and name HE% )
(( segid " " and resid 23 and name HD2 ))
ASSI { 269}
(( segid " " and resid 110 and name HA ))
( segid " " and resid 57 and name HB% )
5.200 3.300 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.31291E-03 ppm1 1.114 ppm2 5.288 CV 1
ASSI { 272}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 100 and name HG13))
3.300 1.300 1.300 peak 272 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 1.116 ppm2 4.282 CV 1
ASSI { 273}
( segid " " and resid 100 and name HD1%)
(( segid " " and resid 100 and name HG13))
2.800 2.800 3.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.24521E-02 ppm1 1.118 ppm2 0.482 CV 1
ASSI { 274}
(( segid " " and resid 100 and name HB ))
(( segid " " and resid 100 and name HG13))
2.400 2.400 3.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.60477E-02 ppm1 1.126 ppm2 1.821 CV 1
ASSI { 275}
(( segid " " and resid 98 and name HG3 ))
(( segid " " and resid 100 and name HG13))
2.100 2.100 3.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.30388E-01 ppm1 1.128 ppm2 1.387 CV 1
OR { 275}
(( segid " " and resid 98 and name HG2 ))
(( segid " " and resid 100 and name HG13))
ASSI { 277}
(( segid " " and resid 69 and name HB ))
( segid " " and resid 58 and name HG2%)
2.200 2.200 3.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.67996E-02 ppm1 1.134 ppm2 1.662 CV 1
ASSI { 278}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
2.700 0.900 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.41521E-02 ppm1 1.136 ppm2 3.606 CV 1
ASSI { 279}
(( segid " " and resid 58 and name HB ))
( segid " " and resid 58 and name HG2%)
2.200 0.600 0.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.78829E-02 ppm1 1.136 ppm2 2.006 CV 1
ASSI { 280}
(( segid " " and resid 69 and name HA ))
( segid " " and resid 58 and name HG2%)
3.600 1.600 1.600 peak 280 spectrum 1 weight 0.10000E+01 volume 0.68903E-03 ppm1 1.136 ppm2 5.315 CV 1
ASSI { 281}
( segid " " and resid 69 and name HG1%)
( segid " " and resid 58 and name HG2%)
3.000 3.000 3.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.29155E-02 ppm1 1.137 ppm2 0.605 CV 1
ASSI { 282}
(( segid " " and resid 38 and name HZ3 ))
( segid " " and resid 58 and name HG2%)
3.000 1.100 1.100 peak 282 spectrum 1 weight 0.10000E+01 volume 0.27891E-02 ppm1 1.138 ppm2 6.831 CV 1
ASSI { 283}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HB2 ))
2.600 0.800 0.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.32795E-02 ppm1 1.141 ppm2 -0.014 CV 1
ASSI { 284}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HB2 ))
2.600 2.600 3.400 peak 284 spectrum 1 weight 0.10000E+01 volume 0.29365E-02 ppm1 1.143 ppm2 0.441 CV 1
ASSI { 286}
(( segid " " and resid 48 and name HB ))
( segid " " and resid 48 and name HG2%)
2.200 0.600 0.600 peak 286 spectrum 1 weight 0.10000E+01 volume 0.12216E-01 ppm1 1.145 ppm2 4.165 CV 1
OR { 286}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 48 and name HG2%)
ASSI { 287}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 48 and name HG2%)
3.400 1.500 1.500 peak 287 spectrum 1 weight 0.10000E+01 volume 0.96881E-03 ppm1 1.145 ppm2 5.477 CV 1
ASSI { 289}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 23 and name HB2 ))
2.700 0.900 0.900 peak 289 spectrum 1 weight 0.10000E+01 volume 0.21061E-02 ppm1 1.147 ppm2 3.024 CV 1
ASSI { 290}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HB2 ))
4.400 2.400 1.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.93572E-03 ppm1 1.149 ppm2 2.017 CV 1
ASSI { 291}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 23 and name HB2 ))
4.000 2.000 2.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.21874E-03 ppm1 1.159 ppm2 3.255 CV 1
ASSI { 292}
(( segid " " and resid 109 and name HB2 ))
( segid " " and resid 39 and name HB% )
3.300 1.300 1.300 peak 292 spectrum 1 weight 0.10000E+01 volume 0.11523E-02 ppm1 1.177 ppm2 3.072 CV 1
ASSI { 293}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 39 and name HB% )
2.200 0.600 0.600 peak 293 spectrum 1 weight 0.10000E+01 volume 0.10711E-01 ppm1 1.179 ppm2 3.758 CV 1
ASSI { 294}
(( segid " " and resid 109 and name HB3 ))
( segid " " and resid 39 and name HB% )
2.600 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.46334E-02 ppm1 1.180 ppm2 2.053 CV 1
ASSI { 295}
( segid " " and resid 83 and name HG2%)
(( segid " " and resid 83 and name HG12))
2.800 2.800 3.200 peak 295 spectrum 1 weight 0.10000E+01 volume 0.17210E-02 ppm1 1.189 ppm2 0.741 CV 1
ASSI { 296}
( segid " " and resid 83 and name HD1%)
(( segid " " and resid 83 and name HG12))
2.400 0.700 0.700 peak 296 spectrum 1 weight 0.10000E+01 volume 0.55661E-02 ppm1 1.196 ppm2 0.426 CV 1
ASSI { 298}
(( segid " " and resid 83 and name HB ))
(( segid " " and resid 83 and name HG12))
2.500 2.500 3.500 peak 298 spectrum 1 weight 0.10000E+01 volume 0.57469E-02 ppm1 1.201 ppm2 1.801 CV 1
ASSI { 300}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB3 ))
2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.32494E-02 ppm1 1.221 ppm2 2.915 CV 1
ASSI { 302}
( segid " " and resid 72 and name HG1%)
(( segid " " and resid 53 and name HB3 ))
2.700 2.700 3.300 peak 302 spectrum 1 weight 0.10000E+01 volume 0.46334E-02 ppm1 1.223 ppm2 0.538 CV 1
ASSI { 303}
(( segid " " and resid 53 and name HG3 ))
(( segid " " and resid 53 and name HB3 ))
2.300 2.300 3.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.50848E-02 ppm1 1.226 ppm2 1.559 CV 1
ASSI { 304}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HB3 ))
2.800 2.800 3.200 peak 304 spectrum 1 weight 0.10000E+01 volume 0.56562E-02 ppm1 1.229 ppm2 1.753 CV 1
ASSI { 306}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HB3 ))
1.900 1.900 4.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.14352E-01 ppm1 1.230 ppm2 1.434 CV 1
ASSI { 311}
(( segid " " and resid 55 and name HG2 ))
(( segid " " and resid 55 and name HG3 ))
1.700 1.700 4.300 peak 311 spectrum 1 weight 0.10000E+01 volume 0.28342E-01 ppm1 1.241 ppm2 1.421 CV 1
ASSI { 312}
(( segid " " and resid 55 and name HB3 ))
(( segid " " and resid 55 and name HG3 ))
2.100 2.100 3.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.19798E-01 ppm1 1.243 ppm2 1.675 CV 1
OR { 312}
(( segid " " and resid 55 and name HD3 ))
(( segid " " and resid 55 and name HG3 ))
ASSI { 313}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HG3 ))
2.800 1.000 1.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.20099E-02 ppm1 1.243 ppm2 3.502 CV 1
ASSI { 314}
(( segid " " and resid 100 and name HB ))
(( segid " " and resid 100 and name HG12))
2.300 2.300 3.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.68903E-02 ppm1 1.246 ppm2 1.837 CV 1
ASSI { 315}
(( segid " " and resid 59 and name HG ))
(( segid " " and resid 100 and name HG12))
5.300 3.500 0.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.15645E-03 ppm1 1.248 ppm2 0.256 CV 1
ASSI { 317}
( segid " " and resid 113 and name HG2%)
(( segid " " and resid 113 and name HG13))
2.800 2.800 3.200 peak 317 spectrum 1 weight 0.10000E+01 volume 0.40016E-02 ppm1 1.270 ppm2 0.889 CV 1
ASSI { 318}
( segid " " and resid 113 and name HD1%)
(( segid " " and resid 113 and name HG13))
2.600 2.600 3.400 peak 318 spectrum 1 weight 0.10000E+01 volume 0.46033E-02 ppm1 1.274 ppm2 0.781 CV 1
ASSI { 319}
(( segid " " and resid 113 and name HB ))
(( segid " " and resid 113 and name HG13))
2.700 2.700 3.300 peak 319 spectrum 1 weight 0.10000E+01 volume 0.32795E-02 ppm1 1.277 ppm2 1.858 CV 1
ASSI { 322}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 53 and name HB2 ))
2.400 2.400 3.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.48742E-02 ppm1 1.313 ppm2 0.850 CV 1
ASSI { 323}
( segid " " and resid 72 and name HG1%)
(( segid " " and resid 53 and name HB2 ))
2.800 1.000 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.26597E-02 ppm1 1.313 ppm2 0.539 CV 1
ASSI { 327}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HB2 ))
2.500 2.500 3.500 peak 327 spectrum 1 weight 0.10000E+01 volume 0.29757E-02 ppm1 1.318 ppm2 1.753 CV 1
ASSI { 328}
(( segid " " and resid 53 and name HG3 ))
(( segid " " and resid 53 and name HB2 ))
2.600 2.600 3.400 peak 328 spectrum 1 weight 0.10000E+01 volume 0.58370E-02 ppm1 1.319 ppm2 1.561 CV 1
ASSI { 330}
(( segid " " and resid 59 and name HG ))
( segid " " and resid 70 and name HB% )
3.700 1.800 1.800 peak 330 spectrum 1 weight 0.10000E+01 volume 0.10140E-02 ppm1 1.326 ppm2 0.262 CV 1
ASSI { 331}
( segid " " and resid 59 and name HD2%)
( segid " " and resid 70 and name HB% )
3.000 1.100 1.100 peak 331 spectrum 1 weight 0.10000E+01 volume 0.25063E-02 ppm1 1.328 ppm2 0.106 CV 1
ASSI { 334}
(( segid " " and resid 85 and name HB2 ))
( segid " " and resid 70 and name HB% )
3.200 1.300 1.300 peak 334 spectrum 1 weight 0.10000E+01 volume 0.54157E-02 ppm1 1.328 ppm2 2.293 CV 1
ASSI { 335}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 70 and name HB% )
2.600 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.32193E-02 ppm1 1.328 ppm2 4.480 CV 1
ASSI { 337}
( segid " " and resid 83 and name HG2%)
( segid " " and resid 70 and name HB% )
3.100 3.100 2.900 peak 337 spectrum 1 weight 0.10000E+01 volume 0.24040E-02 ppm1 1.329 ppm2 0.745 CV 1
ASSI { 338}
(( segid " " and resid 83 and name HA ))
( segid " " and resid 70 and name HB% )
3.800 1.800 1.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.12817E-02 ppm1 1.335 ppm2 5.648 CV 1
ASSI { 346}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG ))
4.000 2.000 2.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.42724E-03 ppm1 1.351 ppm2 4.243 CV 1
ASSI { 348}
( segid " " and resid 83 and name HD1%)
(( segid " " and resid 98 and name HG2 ))
3.900 1.900 1.900 peak 348 spectrum 1 weight 0.10000E+01 volume 0.78529E-03 ppm1 1.351 ppm2 0.428 CV 1
OR { 348}
( segid " " and resid 83 and name HD1%)
(( segid " " and resid 98 and name HG3 ))
ASSI { 349}
(( segid " " and resid 98 and name HB3 ))
(( segid " " and resid 98 and name HG2 ))
1.900 1.900 4.100 peak 349 spectrum 1 weight 0.10000E+01 volume 0.29937E-01 ppm1 1.351 ppm2 1.602 CV 1
OR { 349}
(( segid " " and resid 98 and name HB3 ))
(( segid " " and resid 98 and name HG3 ))
ASSI { 350}
(( segid " " and resid 86 and name HG3 ))
(( segid " " and resid 86 and name HB3 ))
3.800 3.800 2.200 peak 350 spectrum 1 weight 0.10000E+01 volume 0.65894E-03 ppm1 1.351 ppm2 2.072 CV 1
ASSI { 351}
( segid " " and resid 10 and name HD1%)
(( segid " " and resid 10 and name HG ))
3.000 3.000 3.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.17330E-02 ppm1 1.352 ppm2 0.630 CV 1
OR { 351}
( segid " " and resid 10 and name HD2%)
(( segid " " and resid 10 and name HG ))
ASSI { 352}
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 86 and name HB3 ))
2.000 2.000 4.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.81537E-02 ppm1 1.353 ppm2 1.626 CV 1
ASSI { 353}
( segid " " and resid 86 and name HE% )
(( segid " " and resid 86 and name HB3 ))
2.800 1.000 1.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.20820E-02 ppm1 1.355 ppm2 2.216 CV 1
OR { 353}
(( segid " " and resid 86 and name HG2 ))
(( segid " " and resid 86 and name HB3 ))
ASSI { 355}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 86 and name HB3 ))
2.900 1.000 1.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.13599E-02 ppm1 1.358 ppm2 4.001 CV 1
ASSI { 356}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HG13))
2.000 2.000 4.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.27500E-01 ppm1 1.389 ppm2 1.129 CV 1
OR { 356}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HG12))
ASSI { 358}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HG12))
2.500 2.500 3.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.51750E-02 ppm1 1.392 ppm2 1.820 CV 1
OR { 358}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HG13))
ASSI { 359}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HG2 ))
3.100 1.200 1.200 peak 359 spectrum 1 weight 0.10000E+01 volume 0.22445E-02 ppm1 1.417 ppm2 3.505 CV 1
ASSI { 361}
(( segid " " and resid 55 and name HD3 ))
(( segid " " and resid 55 and name HG2 ))
2.000 2.000 4.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.13268E-01 ppm1 1.419 ppm2 1.674 CV 1
OR { 361}
(( segid " " and resid 55 and name HB3 ))
(( segid " " and resid 55 and name HG2 ))
ASSI { 363}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 60 and name HB3 ))
1.700 1.700 4.300 peak 363 spectrum 1 weight 0.10000E+01 volume 0.21844E-01 ppm1 1.432 ppm2 2.205 CV 1
ASSI { 364}
( segid " " and resid 69 and name HG1%)
(( segid " " and resid 60 and name HB3 ))
3.600 1.600 1.600 peak 364 spectrum 1 weight 0.10000E+01 volume 0.21964E-02 ppm1 1.432 ppm2 0.603 CV 1
ASSI { 370}
(( segid " " and resid 109 and name HB2 ))
(( segid " " and resid 60 and name HB3 ))
2.900 1.000 1.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.17210E-02 ppm1 1.446 ppm2 3.068 CV 1
ASSI { 371}
( segid " " and resid 10 and name HD1%)
(( segid " " and resid 10 and name HB2 ))
2.600 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.54458E-02 ppm1 1.446 ppm2 0.641 CV 1
OR { 371}
( segid " " and resid 10 and name HD2%)
(( segid " " and resid 10 and name HB2 ))
ASSI { 372}
(( segid " " and resid 113 and name HB ))
(( segid " " and resid 113 and name HG12))
2.200 2.200 3.800 peak 372 spectrum 1 weight 0.10000E+01 volume 0.14683E-01 ppm1 1.447 ppm2 1.862 CV 1
ASSI { 373}
( segid " " and resid 113 and name HG2%)
(( segid " " and resid 113 and name HG12))
2.800 2.800 3.200 peak 373 spectrum 1 weight 0.10000E+01 volume 0.30689E-02 ppm1 1.448 ppm2 0.902 CV 1
ASSI { 377}
(( segid " " and resid 113 and name HG13))
(( segid " " and resid 113 and name HG12))
1.700 1.700 4.300 peak 377 spectrum 1 weight 0.10000E+01 volume 0.30087E-01 ppm1 1.454 ppm2 1.280 CV 1
ASSI { 378}
( segid " " and resid 81 and name HG1%)
( segid " " and resid 105 and name HB% )
2.500 2.500 3.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.10230E-01 ppm1 1.509 ppm2 0.872 CV 1
ASSI { 379}
(( segid " " and resid 105 and name HA ))
( segid " " and resid 105 and name HB% )
2.200 0.600 0.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.91164E-02 ppm1 1.512 ppm2 4.056 CV 1
ASSI { 380}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 73 and name HB3 ))
3.300 3.300 2.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.31291E-02 ppm1 1.513 ppm2 1.118 CV 1
ASSI { 381}
(( segid " " and resid 102 and name HA ))
( segid " " and resid 105 and name HB% )
2.500 0.800 0.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.51149E-02 ppm1 1.513 ppm2 3.901 CV 1
ASSI { 382}
( segid " " and resid 108 and name HD% )
( segid " " and resid 105 and name HB% )
3.400 1.400 1.400 peak 382 spectrum 1 weight 0.10000E+01 volume 0.36706E-03 ppm1 1.515 ppm2 7.078 CV 1
ASSI { 383}
(( segid " " and resid 73 and name HB2 ))
(( segid " " and resid 73 and name HB3 ))
1.700 1.700 4.300 peak 383 spectrum 1 weight 0.10000E+01 volume 0.23950E-01 ppm1 1.517 ppm2 2.178 CV 1
ASSI { 384}
(( segid " " and resid 82 and name HB ))
(( segid " " and resid 73 and name HB3 ))
3.800 1.800 1.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.12246E-02 ppm1 1.517 ppm2 4.121 CV 1
ASSI { 385}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HB3 ))
2.900 1.000 1.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.19286E-02 ppm1 1.520 ppm2 4.239 CV 1
ASSI { 386}
(( segid " " and resid 73 and name HG3 ))
(( segid " " and resid 73 and name HB3 ))
2.700 0.900 0.900 peak 386 spectrum 1 weight 0.10000E+01 volume 0.67996E-02 ppm1 1.521 ppm2 2.494 CV 1
ASSI { 391}
(( segid " " and resid 53 and name HD2 ))
(( segid " " and resid 53 and name HG3 ))
3.100 1.200 1.200 peak 391 spectrum 1 weight 0.10000E+01 volume 0.17240E-02 ppm1 1.573 ppm2 3.660 CV 1
ASSI { 392}
(( segid " " and resid 53 and name HD3 ))
(( segid " " and resid 53 and name HG3 ))
2.900 1.000 1.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.14683E-02 ppm1 1.574 ppm2 3.500 CV 1
ASSI { 393}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HG3 ))
3.800 1.800 1.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.90263E-03 ppm1 1.574 ppm2 2.926 CV 1
ASSI { 398}
(( segid " " and resid 111 and name HG13))
(( segid " " and resid 111 and name HG12))
1.700 1.700 4.300 peak 398 spectrum 1 weight 0.10000E+01 volume 0.19075E-01 ppm1 1.595 ppm2 0.852 CV 1
OR { 398}
( segid " " and resid 111 and name HD1%)
(( segid " " and resid 111 and name HG12))
ASSI { 399}
(( segid " " and resid 111 and name HB ))
(( segid " " and resid 111 and name HG12))
2.500 2.500 3.500 peak 399 spectrum 1 weight 0.10000E+01 volume 0.55361E-02 ppm1 1.595 ppm2 1.965 CV 1
ASSI { 402}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HB2 ))
3.000 1.100 1.100 peak 402 spectrum 1 weight 0.10000E+01 volume 0.11192E-02 ppm1 1.617 ppm2 5.209 CV 1
ASSI { 405}
(( segid " " and resid 86 and name HG2 ))
(( segid " " and resid 86 and name HB2 ))
2.800 2.800 3.200 peak 405 spectrum 1 weight 0.10000E+01 volume 0.27349E-02 ppm1 1.621 ppm2 2.232 CV 1
OR { 405}
( segid " " and resid 86 and name HE% )
(( segid " " and resid 86 and name HB2 ))
ASSI { 407}
(( segid " " and resid 86 and name HG3 ))
(( segid " " and resid 86 and name HB2 ))
3.100 3.100 2.900 peak 407 spectrum 1 weight 0.10000E+01 volume 0.11252E-02 ppm1 1.632 ppm2 2.066 CV 1
ASSI { 409}
(( segid " " and resid 98 and name HD3 ))
(( segid " " and resid 98 and name HB2 ))
3.100 1.200 1.200 peak 409 spectrum 1 weight 0.10000E+01 volume 0.20429E-02 ppm1 1.653 ppm2 2.848 CV 1
ASSI { 410}
(( segid " " and resid 98 and name HD2 ))
(( segid " " and resid 98 and name HB2 ))
3.100 1.200 1.200 peak 410 spectrum 1 weight 0.10000E+01 volume 0.20790E-02 ppm1 1.656 ppm2 3.043 CV 1
ASSI { 411}
( segid " " and resid 113 and name HG2%)
(( segid " " and resid 27 and name HB3 ))
3.400 3.400 2.600 peak 411 spectrum 1 weight 0.10000E+01 volume 0.11102E-02 ppm1 1.659 ppm2 0.899 CV 1
ASSI { 412}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HB3 ))
1.700 1.700 4.300 peak 412 spectrum 1 weight 0.10000E+01 volume 0.33999E-01 ppm1 1.660 ppm2 2.329 CV 1
ASSI { 413}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HB3 ))
2.400 2.400 3.600 peak 413 spectrum 1 weight 0.10000E+01 volume 0.90263E-02 ppm1 1.660 ppm2 2.116 CV 1
ASSI { 414}
(( segid " " and resid 98 and name HG3 ))
(( segid " " and resid 98 and name HB2 ))
2.100 2.100 3.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.12907E-01 ppm1 1.660 ppm2 1.356 CV 1
OR { 414}
(( segid " " and resid 98 and name HG2 ))
(( segid " " and resid 98 and name HB2 ))
ASSI { 416}
( segid " " and resid 83 and name HD1%)
(( segid " " and resid 98 and name HB2 ))
3.700 1.700 1.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.56562E-03 ppm1 1.662 ppm2 0.440 CV 1
ASSI { 418}
(( segid " " and resid 55 and name HG3 ))
(( segid " " and resid 55 and name HD3 ))
2.700 2.700 3.300 peak 418 spectrum 1 weight 0.10000E+01 volume 0.38211E-02 ppm1 1.665 ppm2 1.246 CV 1
ASSI { 422}
(( segid " " and resid 55 and name HG2 ))
(( segid " " and resid 55 and name HD3 ))
2.300 2.300 3.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.80331E-02 ppm1 1.669 ppm2 1.426 CV 1
ASSI { 424}
(( segid " " and resid 55 and name HG3 ))
(( segid " " and resid 55 and name HB3 ))
3.000 3.000 3.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.36105E-02 ppm1 1.688 ppm2 1.245 CV 1
ASSI { 425}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HB3 ))
2.700 0.900 0.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.48441E-02 ppm1 1.691 ppm2 3.499 CV 1
ASSI { 426}
(( segid " " and resid 55 and name HG2 ))
(( segid " " and resid 55 and name HB3 ))
1.800 1.800 4.200 peak 426 spectrum 1 weight 0.10000E+01 volume 0.25514E-01 ppm1 1.700 ppm2 1.423 CV 1
ASSI { 427}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HG2 ))
3.600 1.600 1.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.11012E-02 ppm1 1.740 ppm2 2.915 CV 1
ASSI { 430}
(( segid " " and resid 53 and name HG3 ))
(( segid " " and resid 53 and name HG2 ))
1.700 1.700 4.300 peak 430 spectrum 1 weight 0.10000E+01 volume 0.25002E-01 ppm1 1.749 ppm2 1.569 CV 1
ASSI { 431}
(( segid " " and resid 53 and name HD3 ))
(( segid " " and resid 53 and name HG2 ))
3.900 1.900 1.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.78829E-03 ppm1 1.751 ppm2 3.488 CV 1
ASSI { 434}
(( segid " " and resid 55 and name HG3 ))
(( segid " " and resid 55 and name HD2 ))
2.800 2.800 3.200 peak 434 spectrum 1 weight 0.10000E+01 volume 0.21753E-02 ppm1 1.760 ppm2 1.246 CV 1
ASSI { 435}
(( segid " " and resid 55 and name HG3 ))
(( segid " " and resid 55 and name HB2 ))
2.300 2.300 3.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.52954E-02 ppm1 1.763 ppm2 1.247 CV 1
ASSI { 436}
(( segid " " and resid 55 and name HG2 ))
(( segid " " and resid 55 and name HD2 ))
2.600 2.600 3.400 peak 436 spectrum 1 weight 0.10000E+01 volume 0.58970E-02 ppm1 1.763 ppm2 1.423 CV 1
ASSI { 437}
(( segid " " and resid 55 and name HE3 ))
(( segid " " and resid 55 and name HD2 ))
2.600 0.900 0.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.36105E-02 ppm1 1.763 ppm2 3.069 CV 1
OR { 437}
(( segid " " and resid 55 and name HE2 ))
(( segid " " and resid 55 and name HD2 ))
ASSI { 439}
(( segid " " and resid 55 and name HG2 ))
(( segid " " and resid 55 and name HB2 ))
3.300 3.300 2.700 peak 439 spectrum 1 weight 0.10000E+01 volume 0.18023E-02 ppm1 1.770 ppm2 1.419 CV 1
ASSI { 440}
(( segid " " and resid 92 and name HD3 ))
(( segid " " and resid 92 and name HG3 ))
2.400 0.700 0.700 peak 440 spectrum 1 weight 0.10000E+01 volume 0.70404E-02 ppm1 1.772 ppm2 3.562 CV 1
OR { 440}
(( segid " " and resid 92 and name HD2 ))
(( segid " " and resid 92 and name HG3 ))
ASSI { 441}
(( segid " " and resid 92 and name HG2 ))
(( segid " " and resid 92 and name HG3 ))
1.900 1.900 4.100 peak 441 spectrum 1 weight 0.10000E+01 volume 0.13569E-01 ppm1 1.773 ppm2 2.084 CV 1
ASSI { 444}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HB3 ))
2.300 0.700 0.700 peak 444 spectrum 1 weight 0.10000E+01 volume 0.61378E-02 ppm1 1.794 ppm2 4.037 CV 1
ASSI { 445}
(( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 85 and name HB3 ))
1.900 1.900 4.100 peak 445 spectrum 1 weight 0.10000E+01 volume 0.10471E-01 ppm1 1.799 ppm2 2.288 CV 1
ASSI { 449}
( segid " " and resid 70 and name HB% )
(( segid " " and resid 83 and name HB ))
2.300 2.300 3.700 peak 449 spectrum 1 weight 0.10000E+01 volume 0.67696E-02 ppm1 1.807 ppm2 1.331 CV 1
ASSI { 450}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HB ))
2.400 0.700 0.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.50246E-02 ppm1 1.807 ppm2 5.644 CV 1
ASSI { 454}
(( segid " " and resid 83 and name HG13))
(( segid " " and resid 83 and name HB ))
2.700 0.900 0.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.24671E-02 ppm1 1.809 ppm2 0.957 CV 1
ASSI { 455}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HG3 ))
6.000 5.400 0.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.49043E-04 ppm1 1.816 ppm2 4.025 CV 1
ASSI { 456}
(( segid " " and resid 65 and name HD3 ))
(( segid " " and resid 65 and name HG3 ))
2.700 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.25002E-02 ppm1 1.825 ppm2 3.413 CV 1
ASSI { 458}
(( segid " " and resid 65 and name HD2 ))
(( segid " " and resid 65 and name HG3 ))
3.300 1.300 1.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.15495E-02 ppm1 1.826 ppm2 3.704 CV 1
ASSI { 463}
( segid " " and resid 72 and name HG1%)
(( segid " " and resid 81 and name HB ))
3.100 1.200 1.200 peak 463 spectrum 1 weight 0.10000E+01 volume 0.16909E-02 ppm1 1.838 ppm2 0.496 CV 1
ASSI { 465}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 81 and name HB ))
2.000 0.500 0.500 peak 465 spectrum 1 weight 0.10000E+01 volume 0.14683E-01 ppm1 1.844 ppm2 0.862 CV 1
ASSI { 466}
(( segid " " and resid 100 and name HG13))
(( segid " " and resid 81 and name HB ))
2.900 2.900 3.100 peak 466 spectrum 1 weight 0.10000E+01 volume 0.44830E-02 ppm1 1.844 ppm2 1.119 CV 1
ASSI { 468}
(( segid " " and resid 58 and name HG13))
(( segid " " and resid 58 and name HG12))
1.700 0.400 0.500 peak 468 spectrum 1 weight 0.10000E+01 volume 0.26206E-01 ppm1 1.848 ppm2 1.004 CV 1
OR { 468}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 58 and name HG12))
ASSI { 469}
(( segid " " and resid 32 and name HE3 ))
( segid " " and resid 45 and name HB% )
4.200 2.200 1.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.63786E-03 ppm1 1.848 ppm2 5.900 CV 1
ASSI { 471}
( segid " " and resid 47 and name HE% )
( segid " " and resid 45 and name HB% )
2.300 0.700 0.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.83339E-02 ppm1 1.852 ppm2 7.680 CV 1
OR { 471}
( segid " " and resid 47 and name HD% )
( segid " " and resid 45 and name HB% )
ASSI { 472}
(( segid " " and resid 47 and name HZ ))
( segid " " and resid 45 and name HB% )
2.800 0.900 0.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.28583E-02 ppm1 1.852 ppm2 7.096 CV 1
ASSI { 474}
(( segid " " and resid 42 and name HA ))
( segid " " and resid 45 and name HB% )
2.600 0.800 0.800 peak 474 spectrum 1 weight 0.10000E+01 volume 0.49945E-02 ppm1 1.853 ppm2 3.241 CV 1
ASSI { 476}
( segid " " and resid 75 and name HG2%)
(( segid " " and resid 75 and name HB ))
2.200 0.600 0.600 peak 476 spectrum 1 weight 0.10000E+01 volume 0.11403E-01 ppm1 1.856 ppm2 0.805 CV 1
ASSI { 479}
(( segid " " and resid 65 and name HD2 ))
(( segid " " and resid 65 and name HG2 ))
2.400 0.700 0.700 peak 479 spectrum 1 weight 0.10000E+01 volume 0.43326E-02 ppm1 1.879 ppm2 3.709 CV 1
ASSI { 480}
(( segid " " and resid 65 and name HD3 ))
(( segid " " and resid 65 and name HG2 ))
3.100 1.200 1.200 peak 480 spectrum 1 weight 0.10000E+01 volume 0.30689E-02 ppm1 1.882 ppm2 3.411 CV 1
ASSI { 481}
( segid " " and resid 95 and name HG1%)
(( segid " " and resid 95 and name HB ))
2.000 0.500 0.500 peak 481 spectrum 1 weight 0.10000E+01 volume 0.18534E-01 ppm1 1.884 ppm2 0.815 CV 1
OR { 481}
( segid " " and resid 95 and name HG2%)
(( segid " " and resid 95 and name HB ))
ASSI { 482}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HG2 ))
4.300 2.300 1.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.44529E-03 ppm1 1.885 ppm2 4.033 CV 1
ASSI { 483}
(( segid " " and resid 65 and name HD3 ))
(( segid " " and resid 65 and name HB2 ))
4.000 2.000 2.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.99589E-03 ppm1 1.893 ppm2 3.424 CV 1
ASSI { 484}
(( segid " " and resid 43 and name HG2 ))
(( segid " " and resid 49 and name HB ))
4.100 4.100 1.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.59871E-03 ppm1 1.894 ppm2 2.551 CV 1
ASSI { 488}
(( segid " " and resid 43 and name HG3 ))
(( segid " " and resid 49 and name HB ))
3.600 3.600 2.400 peak 488 spectrum 1 weight 0.10000E+01 volume 0.10049E-02 ppm1 1.898 ppm2 2.369 CV 1
ASSI { 489}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HB ))
2.200 0.600 0.600 peak 489 spectrum 1 weight 0.10000E+01 volume 0.12787E-01 ppm1 1.899 ppm2 0.757 CV 1
ASSI { 493}
(( segid " " and resid 111 and name HG13))
(( segid " " and resid 111 and name HB ))
2.200 0.600 0.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.77022E-02 ppm1 1.951 ppm2 0.854 CV 1
OR { 493}
( segid " " and resid 111 and name HD1%)
(( segid " " and resid 111 and name HB ))
ASSI { 495}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 111 and name HB ))
4.000 2.000 2.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.64988E-03 ppm1 1.953 ppm2 1.027 CV 1
ASSI { 496}
(( segid " " and resid 38 and name HZ3 ))
(( segid " " and resid 110 and name HB3 ))
4.300 2.300 1.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.29997E-03 ppm1 1.956 ppm2 6.849 CV 1
ASSI { 498}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HB2 ))
2.900 1.000 1.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.36706E-02 ppm1 1.976 ppm2 4.038 CV 1
ASSI { 499}
(( segid " " and resid 92 and name HD2 ))
(( segid " " and resid 92 and name HB2 ))
3.500 1.600 1.600 peak 499 spectrum 1 weight 0.10000E+01 volume 0.95679E-03 ppm1 1.977 ppm2 3.565 CV 1
OR { 499}
(( segid " " and resid 92 and name HD3 ))
(( segid " " and resid 92 and name HB2 ))
ASSI { 500}
( segid " " and resid 93 and name HD% )
(( segid " " and resid 92 and name HB2 ))
3.200 1.300 1.300 peak 500 spectrum 1 weight 0.10000E+01 volume 0.90563E-03 ppm1 1.977 ppm2 7.141 CV 1
ASSI { 501}
(( segid " " and resid 92 and name HB3 ))
(( segid " " and resid 92 and name HB2 ))
1.700 1.700 4.300 peak 501 spectrum 1 weight 0.10000E+01 volume 0.30388E-01 ppm1 1.977 ppm2 1.798 CV 1
ASSI { 502}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB2 ))
2.400 0.700 0.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.78229E-02 ppm1 2.007 ppm2 4.224 CV 1
OR { 502}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB3 ))
ASSI { 503}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HE3 ))
3.400 1.500 1.500 peak 503 spectrum 1 weight 0.10000E+01 volume 0.94473E-03 ppm1 2.011 ppm2 1.115 CV 1
OR { 503}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HE3 ))
OR { 503}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HE3 ))
ASSI { 504}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 15 and name HG3 ))
2.400 0.800 0.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.28944E-02 ppm1 2.014 ppm2 3.659 CV 1
ASSI { 505}
( segid " " and resid 71 and name HE% )
(( segid " " and resid 23 and name HE3 ))
3.400 1.500 1.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.87855E-03 ppm1 2.014 ppm2 6.693 CV 1
OR { 505}
( segid " " and resid 71 and name HD% )
(( segid " " and resid 23 and name HE3 ))
ASSI { 506}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 15 and name HG3 ))
3.300 1.400 1.400 peak 506 spectrum 1 weight 0.10000E+01 volume 0.31291E-02 ppm1 2.015 ppm2 1.080 CV 1
ASSI { 507}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 23 and name HE3 ))
1.900 1.900 4.100 peak 507 spectrum 1 weight 0.10000E+01 volume 0.10771E-01 ppm1 2.015 ppm2 2.305 CV 1
ASSI { 508}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HG3 ))
1.700 1.700 4.300 peak 508 spectrum 1 weight 0.10000E+01 volume 0.18834E-01 ppm1 2.017 ppm2 2.203 CV 1
ASSI { 509}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HE3 ))
2.400 0.700 0.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.25484E-02 ppm1 2.017 ppm2 0.581 CV 1
ASSI { 510}
( segid " " and resid 69 and name HG2%)
(( segid " " and resid 20 and name HB ))
3.000 1.100 1.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.20038E-02 ppm1 2.020 ppm2 -0.142 CV 1
ASSI { 513}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 20 and name HB ))
3.100 1.200 1.200 peak 513 spectrum 1 weight 0.10000E+01 volume 0.12907E-02 ppm1 2.021 ppm2 3.274 CV 1
ASSI { 516}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 20 and name HB ))
1.900 0.500 0.500 peak 516 spectrum 1 weight 0.10000E+01 volume 0.19557E-01 ppm1 2.030 ppm2 1.024 CV 1
ASSI { 519}
(( segid " " and resid 109 and name HB2 ))
(( segid " " and resid 109 and name HB3 ))
1.900 0.400 0.400 peak 519 spectrum 1 weight 0.10000E+01 volume 0.17752E-01 ppm1 2.057 ppm2 3.067 CV 1
ASSI { 520}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 109 and name HB3 ))
2.400 0.700 0.700 peak 520 spectrum 1 weight 0.10000E+01 volume 0.58970E-02 ppm1 2.060 ppm2 0.756 CV 1
ASSI { 521}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB3 ))
3.000 1.100 1.100 peak 521 spectrum 1 weight 0.10000E+01 volume 0.33096E-02 ppm1 2.067 ppm2 4.254 CV 1
ASSI { 523}
(( segid " " and resid 43 and name HG2 ))
(( segid " " and resid 43 and name HB3 ))
2.300 2.300 3.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.61979E-02 ppm1 2.073 ppm2 2.540 CV 1
ASSI { 524}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 43 and name HB3 ))
3.800 1.800 1.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.70404E-03 ppm1 2.073 ppm2 0.941 CV 1
ASSI { 525}
(( segid " " and resid 43 and name HG3 ))
(( segid " " and resid 43 and name HB3 ))
2.400 2.400 3.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.12907E-01 ppm1 2.076 ppm2 2.353 CV 1
ASSI { 526}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB3 ))
2.600 0.800 0.800 peak 526 spectrum 1 weight 0.10000E+01 volume 0.36706E-02 ppm1 2.078 ppm2 4.310 CV 1
ASSI { 528}
(( segid " " and resid 26 and name HA2 ))
(( segid " " and resid 26 and name HA1 ))
1.800 0.400 0.400 peak 528 spectrum 1 weight 0.10000E+01 volume 0.19135E-01 ppm1 2.082 ppm2 3.392 CV 1
ASSI { 530}
(( segid " " and resid 92 and name HD2 ))
(( segid " " and resid 92 and name HG2 ))
2.500 0.800 0.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.54458E-02 ppm1 2.089 ppm2 3.563 CV 1
OR { 530}
(( segid " " and resid 92 and name HD3 ))
(( segid " " and resid 92 and name HG2 ))
ASSI { 532}
( segid " " and resid 113 and name HG2%)
(( segid " " and resid 27 and name HG3 ))
4.100 2.100 1.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.37910E-03 ppm1 2.111 ppm2 0.907 CV 1
ASSI { 533}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HG3 ))
2.800 1.000 1.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.27651E-02 ppm1 2.113 ppm2 4.146 CV 1
ASSI { 534}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 43 and name HB3 ))
2.600 0.800 0.800 peak 534 spectrum 1 weight 0.10000E+01 volume 0.44830E-02 ppm1 2.115 ppm2 3.984 CV 1
OR { 534}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 43 and name HB2 ))
ASSI { 536}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HG3 ))
1.600 1.600 4.400 peak 536 spectrum 1 weight 0.10000E+01 volume 0.56262E-01 ppm1 2.119 ppm2 2.323 CV 1
ASSI { 538}
(( segid " " and resid 43 and name HG3 ))
(( segid " " and resid 43 and name HB2 ))
1.900 1.900 4.100 peak 538 spectrum 1 weight 0.10000E+01 volume 0.17300E-01 ppm1 2.134 ppm2 2.354 CV 1
ASSI { 539}
(( segid " " and resid 43 and name HG2 ))
(( segid " " and resid 43 and name HB2 ))
3.800 3.800 2.200 peak 539 spectrum 1 weight 0.10000E+01 volume 0.74619E-03 ppm1 2.134 ppm2 2.541 CV 1
ASSI { 540}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB2 ))
2.800 0.900 0.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.43627E-02 ppm1 2.135 ppm2 4.309 CV 1
ASSI { 541}
(( segid " " and resid 85 and name HB3 ))
(( segid " " and resid 85 and name HG2 ))
2.100 2.100 3.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.10440E-01 ppm1 2.142 ppm2 1.800 CV 1
ASSI { 542}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HG2 ))
3.800 1.800 1.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.37910E-03 ppm1 2.164 ppm2 4.368 CV 1
ASSI { 545}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HB2 ))
3.000 1.100 1.100 peak 545 spectrum 1 weight 0.10000E+01 volume 0.29004E-02 ppm1 2.175 ppm2 4.241 CV 1
ASSI { 547}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 104 and name HB2 ))
2.800 1.000 1.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.32494E-02 ppm1 2.184 ppm2 4.261 CV 1
ASSI { 548}
(( segid " " and resid 104 and name HB3 ))
(( segid " " and resid 104 and name HB2 ))
2.100 2.100 3.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.64087E-02 ppm1 2.185 ppm2 2.032 CV 1
ASSI { 549}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 15 and name HG2 ))
2.900 1.100 1.100 peak 549 spectrum 1 weight 0.10000E+01 volume 0.40919E-02 ppm1 2.185 ppm2 1.089 CV 1
ASSI { 550}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 15 and name HG2 ))
2.600 0.800 0.800 peak 550 spectrum 1 weight 0.10000E+01 volume 0.37609E-02 ppm1 2.188 ppm2 3.660 CV 1
ASSI { 554}
(( segid " " and resid 109 and name HB2 ))
(( segid " " and resid 60 and name HB2 ))
3.100 1.200 1.200 peak 554 spectrum 1 weight 0.10000E+01 volume 0.34299E-02 ppm1 2.194 ppm2 3.070 CV 1
ASSI { 558}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB ))
3.000 1.100 1.100 peak 558 spectrum 1 weight 0.10000E+01 volume 0.17089E-02 ppm1 2.209 ppm2 3.875 CV 1
ASSI { 559}
(( segid " " and resid 18 and name HE3 ))
( segid " " and resid 86 and name HE% )
4.000 2.000 2.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.55962E-03 ppm1 2.216 ppm2 7.685 CV 1
ASSI { 560}
(( segid " " and resid 18 and name HH2 ))
( segid " " and resid 86 and name HE% )
4.000 2.000 2.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.49043E-03 ppm1 2.216 ppm2 7.541 CV 1
ASSI { 561}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 86 and name HE% )
3.400 1.500 1.500 peak 561 spectrum 1 weight 0.10000E+01 volume 0.13509E-02 ppm1 2.218 ppm2 4.018 CV 1
ASSI { 562}
( segid " " and resid 95 and name HG1%)
( segid " " and resid 86 and name HE% )
2.400 2.400 3.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.99589E-02 ppm1 2.218 ppm2 0.788 CV 1
ASSI { 563}
(( segid " " and resid 86 and name HA ))
( segid " " and resid 86 and name HE% )
3.900 1.900 1.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.63786E-03 ppm1 2.218 ppm2 5.225 CV 1
ASSI { 564}
(( segid " " and resid 93 and name HA ))
( segid " " and resid 86 and name HE% )
3.200 1.300 1.300 peak 564 spectrum 1 weight 0.10000E+01 volume 0.19527E-02 ppm1 2.219 ppm2 4.484 CV 1
ASSI { 565}
(( segid " " and resid 95 and name HA ))
( segid " " and resid 86 and name HE% )
4.000 2.000 2.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.46936E-03 ppm1 2.219 ppm2 4.798 CV 1
ASSI { 566}
(( segid " " and resid 86 and name HB3 ))
( segid " " and resid 86 and name HE% )
3.200 1.300 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.32494E-02 ppm1 2.219 ppm2 1.359 CV 1
ASSI { 567}
( segid " " and resid 93 and name HE% )
(( segid " " and resid 14 and name HA2 ))
4.800 2.900 1.200 peak 567 spectrum 1 weight 0.10000E+01 volume 0.72211E-04 ppm1 2.220 ppm2 6.945 CV 1
ASSI { 568}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 104 and name HG2 ))
2.900 1.100 1.100 peak 568 spectrum 1 weight 0.10000E+01 volume 0.23528E-02 ppm1 2.248 ppm2 4.259 CV 1
OR { 568}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 104 and name HG3 ))
ASSI { 569}
( segid " " and resid 100 and name HG2%)
(( segid " " and resid 104 and name HG3 ))
3.500 1.500 1.500 peak 569 spectrum 1 weight 0.10000E+01 volume 0.15916E-02 ppm1 2.252 ppm2 1.016 CV 1
OR { 569}
( segid " " and resid 100 and name HG2%)
(( segid " " and resid 104 and name HG2 ))
ASSI { 570}
( segid " " and resid 108 and name HE% )
(( segid " " and resid 104 and name HG3 ))
3.700 1.700 1.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.96280E-03 ppm1 2.259 ppm2 6.727 CV 1
OR { 570}
( segid " " and resid 108 and name HE% )
(( segid " " and resid 104 and name HG2 ))
ASSI { 573}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HB2 ))
1.900 1.900 4.100 peak 573 spectrum 1 weight 0.10000E+01 volume 0.16277E-01 ppm1 2.297 ppm2 2.072 CV 1
ASSI { 574}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB2 ))
2.800 1.000 1.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.26206E-02 ppm1 2.298 ppm2 4.254 CV 1
ASSI { 578}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HE2 ))
2.500 0.800 0.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.57469E-02 ppm1 2.307 ppm2 1.111 CV 1
OR { 578}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HE2 ))
ASSI { 579}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HE2 ))
3.600 1.600 1.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.13630E-02 ppm1 2.309 ppm2 0.583 CV 1
ASSI { 580}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HE2 ))
4.100 2.100 1.900 peak 580 spectrum 1 weight 0.10000E+01 volume 0.86353E-03 ppm1 2.310 ppm2 0.440 CV 1
ASSI { 581}
(( segid " " and resid 113 and name HB ))
(( segid " " and resid 27 and name HG2 ))
3.400 3.400 2.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.12577E-02 ppm1 2.312 ppm2 1.832 CV 1
ASSI { 582}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 27 and name HB2 ))
4.000 2.000 2.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.61979E-03 ppm1 2.320 ppm2 0.785 CV 1
ASSI { 583}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HG2 ))
3.200 1.300 1.300 peak 583 spectrum 1 weight 0.10000E+01 volume 0.25665E-02 ppm1 2.320 ppm2 4.150 CV 1
ASSI { 585}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HG2 ))
2.200 2.200 3.800 peak 585 spectrum 1 weight 0.10000E+01 volume 0.89662E-02 ppm1 2.321 ppm2 1.662 CV 1
ASSI { 587}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
2.600 0.800 0.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.38512E-02 ppm1 2.330 ppm2 4.150 CV 1
ASSI { 588}
( segid " " and resid 113 and name HG2%)
(( segid " " and resid 27 and name HB2 ))
2.700 2.700 3.300 peak 588 spectrum 1 weight 0.10000E+01 volume 0.12847E-02 ppm1 2.331 ppm2 0.901 CV 1
ASSI { 589}
( segid " " and resid 113 and name HG2%)
(( segid " " and resid 27 and name HG2 ))
3.500 1.600 1.600 peak 589 spectrum 1 weight 0.10000E+01 volume 0.74314E-03 ppm1 2.333 ppm2 0.894 CV 1
ASSI { 590}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 60 and name HG3 ))
3.000 1.100 1.100 peak 590 spectrum 1 weight 0.10000E+01 volume 0.26898E-02 ppm1 2.347 ppm2 3.165 CV 1
OR { 590}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 60 and name HG3 ))
ASSI { 591}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 60 and name HG3 ))
2.700 0.900 0.900 peak 591 spectrum 1 weight 0.10000E+01 volume 0.32193E-02 ppm1 2.348 ppm2 1.436 CV 1
ASSI { 592}
(( segid " " and resid 108 and name HB2 ))
(( segid " " and resid 108 and name HB3 ))
1.800 1.800 4.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.14622E-01 ppm1 2.348 ppm2 2.893 CV 1
ASSI { 594}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 108 and name HB3 ))
3.000 1.100 1.100 peak 594 spectrum 1 weight 0.10000E+01 volume 0.20008E-02 ppm1 2.350 ppm2 0.932 CV 1
ASSI { 600}
(( segid " " and resid 87 and name HB2 ))
(( segid " " and resid 87 and name HB3 ))
1.900 0.500 0.500 peak 600 spectrum 1 weight 0.10000E+01 volume 0.12727E-01 ppm1 2.402 ppm2 3.496 CV 1
ASSI { 601}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 87 and name HB3 ))
2.800 1.000 1.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.39715E-02 ppm1 2.403 ppm2 4.189 CV 1
ASSI { 602}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 87 and name HB3 ))
3.200 1.300 1.300 peak 602 spectrum 1 weight 0.10000E+01 volume 0.31291E-02 ppm1 2.409 ppm2 4.040 CV 1
ASSI { 603}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 9 and name HB3 ))
3.400 1.400 1.400 peak 603 spectrum 1 weight 0.10000E+01 volume 0.18834E-02 ppm1 2.451 ppm2 6.811 CV 1
ASSI { 605}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB3 ))
2.700 0.900 0.900 peak 605 spectrum 1 weight 0.10000E+01 volume 0.46033E-02 ppm1 2.454 ppm2 3.417 CV 1
ASSI { 607}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HB3 ))
2.100 2.100 3.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.77928E-02 ppm1 2.464 ppm2 3.153 CV 1
ASSI { 610}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 71 and name HB3 ))
3.300 1.400 1.400 peak 610 spectrum 1 weight 0.10000E+01 volume 0.16067E-02 ppm1 2.471 ppm2 1.001 CV 1
ASSI { 611}
(( segid " " and resid 67 and name HA1 ))
(( segid " " and resid 36 and name HB3 ))
3.400 1.400 1.400 peak 611 spectrum 1 weight 0.10000E+01 volume 0.11885E-02 ppm1 2.476 ppm2 4.016 CV 1
ASSI { 614}
(( segid " " and resid 107 and name HA ))
(( segid " " and resid 107 and name HB3 ))
3.300 1.300 1.300 peak 614 spectrum 1 weight 0.10000E+01 volume 0.17722E-02 ppm1 2.491 ppm2 4.504 CV 1
ASSI { 617}
( segid " " and resid 71 and name HD% )
(( segid " " and resid 73 and name HG3 ))
3.700 1.700 1.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.68903E-03 ppm1 2.502 ppm2 6.730 CV 1
ASSI { 618}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 73 and name HG3 ))
3.300 1.400 1.400 peak 618 spectrum 1 weight 0.10000E+01 volume 0.76121E-03 ppm1 2.514 ppm2 5.650 CV 1
ASSI { 620}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 73 and name HG3 ))
3.400 3.400 2.600 peak 620 spectrum 1 weight 0.10000E+01 volume 0.23318E-02 ppm1 2.520 ppm2 0.601 CV 1
ASSI { 622}
( segid " " and resid 110 and name HE% )
(( segid " " and resid 110 and name HB2 ))
3.500 1.500 1.500 peak 622 spectrum 1 weight 0.10000E+01 volume 0.16307E-02 ppm1 2.533 ppm2 7.549 CV 1
ASSI { 624}
( segid " " and resid 88 and name HE% )
(( segid " " and resid 88 and name HB2 ))
3.300 1.400 1.400 peak 624 spectrum 1 weight 0.10000E+01 volume 0.25424E-02 ppm1 2.538 ppm2 6.394 CV 1
ASSI { 625}
(( segid " " and resid 43 and name HG3 ))
(( segid " " and resid 43 and name HG2 ))
2.600 2.600 3.400 peak 625 spectrum 1 weight 0.10000E+01 volume 0.18684E-02 ppm1 2.540 ppm2 2.360 CV 1
ASSI { 627}
(( segid " " and resid 110 and name HB3 ))
(( segid " " and resid 110 and name HB2 ))
1.700 1.700 4.300 peak 627 spectrum 1 weight 0.10000E+01 volume 0.22595E-01 ppm1 2.541 ppm2 1.951 CV 1
ASSI { 628}
( segid " " and resid 49 and name HG1%)
(( segid " " and resid 43 and name HG2 ))
2.700 0.900 0.900 peak 628 spectrum 1 weight 0.10000E+01 volume 0.33999E-02 ppm1 2.549 ppm2 0.947 CV 1
ASSI { 634}
(( segid " " and resid 78 and name HB2 ))
(( segid " " and resid 78 and name HB3 ))
1.900 1.900 4.100 peak 634 spectrum 1 weight 0.10000E+01 volume 0.19135E-01 ppm1 2.606 ppm2 3.059 CV 1
ASSI { 638}
(( segid " " and resid 73 and name HB3 ))
(( segid " " and resid 73 and name HG2 ))
2.700 0.900 0.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.28733E-02 ppm1 2.617 ppm2 1.521 CV 1
ASSI { 639}
(( segid " " and resid 29 and name HA2 ))
(( segid " " and resid 29 and name HA1 ))
1.800 0.400 0.400 peak 639 spectrum 1 weight 0.10000E+01 volume 0.18594E-01 ppm1 2.629 ppm2 3.784 CV 1
ASSI { 640}
(( segid " " and resid 86 and name HB3 ))
(( segid " " and resid 19 and name HB3 ))
3.600 1.600 1.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.16157E-02 ppm1 2.684 ppm2 1.350 CV 1
ASSI { 641}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HB3 ))
1.900 0.500 0.500 peak 641 spectrum 1 weight 0.10000E+01 volume 0.11102E-01 ppm1 2.695 ppm2 4.004 CV 1
ASSI { 645}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 47 and name HB3 ))
3.500 3.500 2.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.17691E-02 ppm1 2.704 ppm2 3.250 CV 1
ASSI { 646}
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 19 and name HB3 ))
3.600 1.600 1.600 peak 646 spectrum 1 weight 0.10000E+01 volume 0.13690E-02 ppm1 2.707 ppm2 1.621 CV 1
ASSI { 650}
(( segid " " and resid 98 and name HG2 ))
(( segid " " and resid 98 and name HD3 ))
2.600 0.800 0.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.42423E-02 ppm1 2.846 ppm2 1.350 CV 1
OR { 650}
(( segid " " and resid 98 and name HG3 ))
(( segid " " and resid 98 and name HD3 ))
ASSI { 651}
(( segid " " and resid 98 and name HB2 ))
(( segid " " and resid 98 and name HD3 ))
2.900 1.000 1.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.26958E-02 ppm1 2.847 ppm2 1.628 CV 1
OR { 651}
(( segid " " and resid 98 and name HB3 ))
(( segid " " and resid 98 and name HD3 ))
ASSI { 652}
(( segid " " and resid 98 and name HD2 ))
(( segid " " and resid 98 and name HD3 ))
1.700 1.700 4.300 peak 652 spectrum 1 weight 0.10000E+01 volume 0.27921E-01 ppm1 2.848 ppm2 3.047 CV 1
ASSI { 653}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB3 ))
3.000 3.000 3.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.25785E-02 ppm1 2.873 ppm2 3.553 CV 1
ASSI { 654}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HB3 ))
1.800 1.800 4.200 peak 654 spectrum 1 weight 0.10000E+01 volume 0.16127E-01 ppm1 2.879 ppm2 3.040 CV 1
ASSI { 655}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 108 and name HB2 ))
2.800 1.000 1.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.26657E-02 ppm1 2.889 ppm2 0.927 CV 1
ASSI { 656}
(( segid " " and resid 59 and name HG ))
(( segid " " and resid 108 and name HB2 ))
3.400 1.400 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.15013E-02 ppm1 2.889 ppm2 0.267 CV 1
ASSI { 658}
(( segid " " and resid 38 and name HD1 ))
(( segid " " and resid 35 and name HA ))
3.000 1.100 1.100 peak 658 spectrum 1 weight 0.10000E+01 volume 0.15314E-02 ppm1 2.911 ppm2 7.188 CV 1
ASSI { 660}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 35 and name HA ))
2.700 0.900 0.900 peak 660 spectrum 1 weight 0.10000E+01 volume 0.37609E-02 ppm1 2.914 ppm2 0.892 CV 1
ASSI { 662}
( segid " " and resid 110 and name HE% )
(( segid " " and resid 53 and name HA ))
2.800 2.800 3.200 peak 662 spectrum 1 weight 0.10000E+01 volume 0.11192E-02 ppm1 2.914 ppm2 7.565 CV 1
ASSI { 663}
( segid " " and resid 35 and name HB% )
(( segid " " and resid 35 and name HA ))
2.100 0.500 0.500 peak 663 spectrum 1 weight 0.10000E+01 volume 0.12456E-01 ppm1 2.915 ppm2 1.097 CV 1
ASSI { 664}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HA ))
2.300 0.700 0.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.11734E-01 ppm1 2.916 ppm2 1.295 CV 1
ASSI { 665}
( segid " " and resid 72 and name HG1%)
(( segid " " and resid 53 and name HA ))
3.700 1.700 1.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.10140E-02 ppm1 2.917 ppm2 0.532 CV 1
ASSI { 667}
( segid " " and resid 69 and name HG2%)
(( segid " " and resid 35 and name HA ))
3.500 1.500 1.500 peak 667 spectrum 1 weight 0.10000E+01 volume 0.71005E-03 ppm1 2.923 ppm2 -0.153 CV 1
ASSI { 670}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HB3 ))
1.700 1.700 4.300 peak 670 spectrum 1 weight 0.10000E+01 volume 0.26838E-01 ppm1 2.950 ppm2 3.243 CV 1
ASSI { 671}
(( segid " " and resid 20 and name HB ))
(( segid " " and resid 20 and name HA ))
2.900 1.100 1.100 peak 671 spectrum 1 weight 0.10000E+01 volume 0.20008E-02 ppm1 3.024 ppm2 2.028 CV 1
ASSI { 674}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 20 and name HA ))
2.500 0.800 0.800 peak 674 spectrum 1 weight 0.10000E+01 volume 0.51149E-02 ppm1 3.030 ppm2 0.996 CV 1
ASSI { 676}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HB3 ))
1.700 1.700 4.300 peak 676 spectrum 1 weight 0.10000E+01 volume 0.14773E-01 ppm1 3.047 ppm2 3.448 CV 1
ASSI { 677}
(( segid " " and resid 98 and name HG3 ))
(( segid " " and resid 98 and name HD2 ))
2.600 0.800 0.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.43025E-02 ppm1 3.047 ppm2 1.352 CV 1
OR { 677}
(( segid " " and resid 98 and name HG2 ))
(( segid " " and resid 98 and name HD2 ))
ASSI { 678}
(( segid " " and resid 98 and name HB2 ))
(( segid " " and resid 98 and name HD2 ))
3.000 1.100 1.100 peak 678 spectrum 1 weight 0.10000E+01 volume 0.17541E-02 ppm1 3.048 ppm2 1.633 CV 1
OR { 678}
(( segid " " and resid 98 and name HB3 ))
(( segid " " and resid 98 and name HD2 ))
ASSI { 680}
(( segid " " and resid 83 and name HG13))
(( segid " " and resid 98 and name HD2 ))
4.200 2.200 1.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.40317E-03 ppm1 3.052 ppm2 0.979 CV 1
ASSI { 682}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 21 and name HB2 ))
3.900 1.900 1.900 peak 682 spectrum 1 weight 0.10000E+01 volume 0.52954E-03 ppm1 3.056 ppm2 4.383 CV 1
ASSI { 683}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB2 ))
2.500 2.500 3.500 peak 683 spectrum 1 weight 0.10000E+01 volume 0.42423E-02 ppm1 3.056 ppm2 3.548 CV 1
ASSI { 685}
( segid " " and resid 49 and name HG1%)
(( segid " " and resid 109 and name HB2 ))
4.200 2.200 1.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.38813E-03 ppm1 3.057 ppm2 0.937 CV 1
ASSI { 688}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HB2 ))
1.900 1.900 4.100 peak 688 spectrum 1 weight 0.10000E+01 volume 0.13359E-01 ppm1 3.067 ppm2 2.710 CV 1
ASSI { 689}
(( segid " " and resid 55 and name HD3 ))
(( segid " " and resid 55 and name HE3 ))
2.200 0.600 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.13690E-01 ppm1 3.068 ppm2 1.692 CV 1
OR { 689}
(( segid " " and resid 55 and name HD3 ))
(( segid " " and resid 55 and name HE2 ))
ASSI { 690}
(( segid " " and resid 55 and name HG3 ))
(( segid " " and resid 55 and name HE2 ))
2.800 1.000 1.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.28793E-02 ppm1 3.068 ppm2 1.246 CV 1
OR { 690}
(( segid " " and resid 55 and name HG3 ))
(( segid " " and resid 55 and name HE3 ))
ASSI { 691}
(( segid " " and resid 55 and name HG2 ))
(( segid " " and resid 55 and name HE2 ))
3.000 1.100 1.100 peak 691 spectrum 1 weight 0.10000E+01 volume 0.25605E-02 ppm1 3.069 ppm2 1.421 CV 1
OR { 691}
(( segid " " and resid 55 and name HG2 ))
(( segid " " and resid 55 and name HE3 ))
ASSI { 695}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 109 and name HB2 ))
3.300 1.400 1.400 peak 695 spectrum 1 weight 0.10000E+01 volume 0.12817E-02 ppm1 3.075 ppm2 0.749 CV 1
ASSI { 696}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 47 and name HB2 ))
2.600 0.900 0.900 peak 696 spectrum 1 weight 0.10000E+01 volume 0.30388E-02 ppm1 3.081 ppm2 0.906 CV 1
ASSI { 698}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 51 and name HB3 ))
1.900 0.500 0.500 peak 698 spectrum 1 weight 0.10000E+01 volume 0.13509E-01 ppm1 3.088 ppm2 4.028 CV 1
ASSI { 701}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB2 ))
2.600 0.800 0.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.42122E-02 ppm1 3.149 ppm2 4.178 CV 1
ASSI { 702}
(( segid " " and resid 38 and name HH2 ))
(( segid " " and resid 38 and name HB3 ))
2.900 2.900 3.100 peak 702 spectrum 1 weight 0.10000E+01 volume 0.33397E-02 ppm1 3.159 ppm2 6.295 CV 1
OR { 702}
(( segid " " and resid 38 and name HH2 ))
(( segid " " and resid 38 and name HB2 ))
ASSI { 705}
( segid " " and resid 111 and name HD1%)
(( segid " " and resid 38 and name HB3 ))
2.500 0.800 0.800 peak 705 spectrum 1 weight 0.10000E+01 volume 0.41220E-02 ppm1 3.168 ppm2 0.852 CV 1
OR { 705}
(( segid " " and resid 111 and name HG13))
(( segid " " and resid 38 and name HB3 ))
ASSI { 706}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB3 ))
2.700 0.900 0.900 peak 706 spectrum 1 weight 0.10000E+01 volume 0.31592E-02 ppm1 3.169 ppm2 4.198 CV 1
OR { 706}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB2 ))
ASSI { 708}
(( segid " " and resid 32 and name HE3 ))
(( segid " " and resid 38 and name HB3 ))
3.700 1.700 1.700 peak 708 spectrum 1 weight 0.10000E+01 volume 0.75821E-03 ppm1 3.171 ppm2 5.935 CV 1
OR { 708}
(( segid " " and resid 32 and name HE3 ))
(( segid " " and resid 38 and name HB2 ))
OR { 708}
(( segid " " and resid 32 and name HZ3 ))
(( segid " " and resid 38 and name HB3 ))
OR { 708}
(( segid " " and resid 32 and name HZ3 ))
(( segid " " and resid 38 and name HB2 ))
ASSI { 709}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HB2 ))
1.900 1.900 4.100 peak 709 spectrum 1 weight 0.10000E+01 volume 0.16879E-01 ppm1 3.193 ppm2 2.456 CV 1
ASSI { 710}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
2.300 2.300 3.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.78529E-02 ppm1 3.197 ppm2 3.413 CV 1
ASSI { 711}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 9 and name HB2 ))
3.200 1.200 1.200 peak 711 spectrum 1 weight 0.10000E+01 volume 0.97782E-03 ppm1 3.204 ppm2 6.813 CV 1
ASSI { 712}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 71 and name HB2 ))
3.200 1.300 1.300 peak 712 spectrum 1 weight 0.10000E+01 volume 0.82138E-03 ppm1 3.210 ppm2 0.993 CV 1
ASSI { 715}
(( segid " " and resid 32 and name HE3 ))
(( segid " " and resid 42 and name HA ))
3.400 1.400 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.14773E-02 ppm1 3.235 ppm2 5.898 CV 1
ASSI { 721}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 50 and name HB2 ))
1.900 1.900 4.100 peak 721 spectrum 1 weight 0.10000E+01 volume 0.13268E-01 ppm1 3.328 ppm2 3.068 CV 1
ASSI { 722}
(( segid " " and resid 56 and name HA2 ))
(( segid " " and resid 56 and name HA1 ))
1.700 0.400 0.500 peak 722 spectrum 1 weight 0.10000E+01 volume 0.28553E-01 ppm1 3.337 ppm2 4.133 CV 1
ASSI { 723}
( segid " " and resid 71 and name HE% )
(( segid " " and resid 56 and name HA1 ))
2.700 0.900 0.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.23227E-02 ppm1 3.338 ppm2 6.650 CV 1
ASSI { 725}
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 93 and name HB3 ))
1.900 1.900 4.100 peak 725 spectrum 1 weight 0.10000E+01 volume 0.15766E-01 ppm1 3.368 ppm2 3.601 CV 1
ASSI { 726}
(( segid " " and resid 86 and name HG2 ))
(( segid " " and resid 93 and name HB3 ))
3.700 1.700 1.700 peak 726 spectrum 1 weight 0.10000E+01 volume 0.86654E-03 ppm1 3.380 ppm2 2.207 CV 1
OR { 726}
( segid " " and resid 86 and name HE% )
(( segid " " and resid 93 and name HB3 ))
ASSI { 728}
( segid " " and resid 21 and name HE% )
(( segid " " and resid 9 and name HA ))
3.000 1.100 1.100 peak 728 spectrum 1 weight 0.10000E+01 volume 0.19617E-02 ppm1 3.414 ppm2 6.381 CV 1
ASSI { 731}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 9 and name HA ))
3.000 1.100 1.100 peak 731 spectrum 1 weight 0.10000E+01 volume 0.17270E-02 ppm1 3.417 ppm2 6.814 CV 1
ASSI { 732}
(( segid " " and resid 65 and name HG2 ))
(( segid " " and resid 65 and name HD3 ))
2.900 1.000 1.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.53255E-02 ppm1 3.418 ppm2 1.873 CV 1
OR { 732}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HD3 ))
ASSI { 734}
(( segid " " and resid 64 and name HA2 ))
(( segid " " and resid 65 and name HD3 ))
3.100 1.200 1.200 peak 734 spectrum 1 weight 0.10000E+01 volume 0.25334E-02 ppm1 3.419 ppm2 4.389 CV 1
ASSI { 735}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HD3 ))
3.900 1.900 1.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.37910E-03 ppm1 3.419 ppm2 0.917 CV 1
ASSI { 738}
( segid " " and resid 102 and name HB% )
(( segid " " and resid 79 and name HA1 ))
3.200 1.300 1.300 peak 738 spectrum 1 weight 0.10000E+01 volume 0.20189E-02 ppm1 3.482 ppm2 1.386 CV 1
ASSI { 739}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 53 and name HD3 ))
4.900 3.000 1.100 peak 739 spectrum 1 weight 0.10000E+01 volume 0.28914E-03 ppm1 3.482 ppm2 0.863 CV 1
ASSI { 740}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HB2 ))
1.900 1.900 4.100 peak 740 spectrum 1 weight 0.10000E+01 volume 0.11042E-01 ppm1 3.485 ppm2 2.937 CV 1
ASSI { 742}
( segid " " and resid 75 and name HG2%)
(( segid " " and resid 79 and name HA1 ))
2.800 1.000 1.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.25183E-02 ppm1 3.486 ppm2 0.808 CV 1
ASSI { 743}
(( segid " " and resid 79 and name HA2 ))
(( segid " " and resid 79 and name HA1 ))
1.700 1.700 4.300 peak 743 spectrum 1 weight 0.10000E+01 volume 0.29937E-01 ppm1 3.488 ppm2 4.256 CV 1
ASSI { 744}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 53 and name HD3 ))
6.000 5.400 0.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.52352E-04 ppm1 3.490 ppm2 1.115 CV 1
ASSI { 749}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 55 and name HA ))
2.100 0.500 0.500 peak 749 spectrum 1 weight 0.10000E+01 volume 0.12005E-01 ppm1 3.499 ppm2 1.745 CV 1
ASSI { 750}
(( segid " " and resid 72 and name HB ))
(( segid " " and resid 55 and name HA ))
3.200 1.300 1.300 peak 750 spectrum 1 weight 0.10000E+01 volume 0.16398E-02 ppm1 3.500 ppm2 2.206 CV 1
ASSI { 751}
( segid " " and resid 72 and name HG1%)
(( segid " " and resid 55 and name HA ))
2.200 0.600 0.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.96280E-02 ppm1 3.502 ppm2 0.518 CV 1
ASSI { 754}
( segid " " and resid 28 and name HD1%)
(( segid " " and resid 21 and name HA ))
2.800 1.000 1.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.46936E-02 ppm1 3.550 ppm2 0.144 CV 1
ASSI { 756}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 21 and name HA ))
2.400 0.700 0.700 peak 756 spectrum 1 weight 0.10000E+01 volume 0.49644E-02 ppm1 3.554 ppm2 0.795 CV 1
ASSI { 759}
(( segid " " and resid 38 and name HD1 ))
(( segid " " and resid 37 and name HB2 ))
2.500 2.500 3.500 peak 759 spectrum 1 weight 0.10000E+01 volume 0.25454E-02 ppm1 3.573 ppm2 7.205 CV 1
ASSI { 760}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HB2 ))
1.800 0.400 0.400 peak 760 spectrum 1 weight 0.10000E+01 volume 0.21513E-01 ppm1 3.574 ppm2 2.782 CV 1
ASSI { 761}
(( segid " " and resid 66 and name HB3 ))
(( segid " " and resid 66 and name HB2 ))
1.700 1.700 4.300 peak 761 spectrum 1 weight 0.10000E+01 volume 0.27410E-01 ppm1 3.574 ppm2 2.818 CV 1
ASSI { 764}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB3 ))
2.800 2.800 3.200 peak 764 spectrum 1 weight 0.10000E+01 volume 0.29967E-02 ppm1 3.590 ppm2 4.114 CV 1
ASSI { 765}
(( segid " " and resid 10 and name HG ))
(( segid " " and resid 30 and name HB3 ))
3.600 1.700 1.700 peak 765 spectrum 1 weight 0.10000E+01 volume 0.84846E-03 ppm1 3.591 ppm2 1.343 CV 1
ASSI { 766}
( segid " " and resid 10 and name HD1%)
(( segid " " and resid 30 and name HB3 ))
3.400 1.400 1.400 peak 766 spectrum 1 weight 0.10000E+01 volume 0.21513E-02 ppm1 3.596 ppm2 0.644 CV 1
ASSI { 767}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 30 and name HB3 ))
2.900 2.900 3.100 peak 767 spectrum 1 weight 0.10000E+01 volume 0.98688E-03 ppm1 3.597 ppm2 0.983 CV 1
ASSI { 769}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HA ))
2.900 1.000 1.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.25605E-02 ppm1 3.599 ppm2 0.444 CV 1
ASSI { 772}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HA ))
5.300 3.400 0.700 peak 772 spectrum 1 weight 0.10000E+01 volume 0.17511E-03 ppm1 3.607 ppm2 -0.015 CV 1
ASSI { 773}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 41 and name HA ))
2.100 0.600 0.600 peak 773 spectrum 1 weight 0.10000E+01 volume 0.12787E-01 ppm1 3.621 ppm2 0.441 CV 1
ASSI { 776}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 53 and name HD2 ))
2.600 0.800 0.800 peak 776 spectrum 1 weight 0.10000E+01 volume 0.24401E-02 ppm1 3.663 ppm2 4.597 CV 1
ASSI { 777}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HB ))
2.100 0.600 0.600 peak 777 spectrum 1 weight 0.10000E+01 volume 0.11102E-01 ppm1 3.664 ppm2 1.088 CV 1
ASSI { 778}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HD2 ))
2.800 0.900 0.900 peak 778 spectrum 1 weight 0.10000E+01 volume 0.17601E-02 ppm1 3.664 ppm2 1.756 CV 1
ASSI { 779}
(( segid " " and resid 100 and name HG12))
(( segid " " and resid 53 and name HD2 ))
3.800 3.800 2.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.10200E-02 ppm1 3.664 ppm2 1.273 CV 1
ASSI { 781}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 53 and name HD2 ))
3.600 1.700 1.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.12787E-02 ppm1 3.666 ppm2 1.105 CV 1
ASSI { 784}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HA ))
2.300 0.700 0.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.94473E-02 ppm1 3.681 ppm2 1.087 CV 1
ASSI { 786}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HB3 ))
2.300 2.300 3.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.10200E-01 ppm1 3.691 ppm2 4.332 CV 1
ASSI { 787}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HD2 ))
4.600 2.600 1.400 peak 787 spectrum 1 weight 0.10000E+01 volume 0.38813E-03 ppm1 3.700 ppm2 0.916 CV 1
ASSI { 788}
(( segid " " and resid 65 and name HD3 ))
(( segid " " and resid 65 and name HD2 ))
1.900 1.900 4.100 peak 788 spectrum 1 weight 0.10000E+01 volume 0.15886E-01 ppm1 3.703 ppm2 3.417 CV 1
ASSI { 789}
(( segid " " and resid 65 and name HG3 ))
(( segid " " and resid 65 and name HD2 ))
2.500 0.800 0.800 peak 789 spectrum 1 weight 0.10000E+01 volume 0.43927E-02 ppm1 3.706 ppm2 1.858 CV 1
OR { 789}
(( segid " " and resid 65 and name HG2 ))
(( segid " " and resid 65 and name HD2 ))
ASSI { 790}
(( segid " " and resid 64 and name HA2 ))
(( segid " " and resid 65 and name HD2 ))
2.700 2.700 3.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.23649E-02 ppm1 3.706 ppm2 4.390 CV 1
ASSI { 792}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HB3 ))
2.200 2.200 3.800 peak 792 spectrum 1 weight 0.10000E+01 volume 0.11523E-01 ppm1 3.707 ppm2 4.270 CV 1
ASSI { 793}
( segid " " and resid 110 and name HE% )
(( segid " " and resid 54 and name HB3 ))
2.500 2.500 3.500 peak 793 spectrum 1 weight 0.10000E+01 volume 0.46635E-02 ppm1 3.707 ppm2 7.553 CV 1
ASSI { 796}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 30 and name HB2 ))
3.900 1.900 1.900 peak 796 spectrum 1 weight 0.10000E+01 volume 0.12186E-02 ppm1 3.732 ppm2 1.219 CV 1
ASSI { 797}
(( segid " " and resid 10 and name HG ))
(( segid " " and resid 30 and name HB2 ))
3.000 1.200 1.200 peak 797 spectrum 1 weight 0.10000E+01 volume 0.19527E-02 ppm1 3.732 ppm2 1.368 CV 1
ASSI { 798}
( segid " " and resid 10 and name HD1%)
(( segid " " and resid 30 and name HB2 ))
2.600 0.900 0.900 peak 798 spectrum 1 weight 0.10000E+01 volume 0.32193E-02 ppm1 3.733 ppm2 0.648 CV 1
ASSI { 799}
(( segid " " and resid 94 and name HB2 ))
(( segid " " and resid 94 and name HB3 ))
1.700 1.700 4.300 peak 799 spectrum 1 weight 0.10000E+01 volume 0.30689E-01 ppm1 3.741 ppm2 4.071 CV 1
ASSI { 800}
( segid " " and resid 21 and name HE% )
(( segid " " and resid 30 and name HB2 ))
3.700 1.700 1.700 peak 800 spectrum 1 weight 0.10000E+01 volume 0.13268E-02 ppm1 3.743 ppm2 6.380 CV 1
ASSI { 802}
(( segid " " and resid 46 and name HA2 ))
(( segid " " and resid 46 and name HA1 ))
1.800 1.800 4.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.21061E-01 ppm1 3.755 ppm2 4.194 CV 1
ASSI { 803}
( segid " " and resid 69 and name HG2%)
(( segid " " and resid 17 and name HB ))
3.800 1.800 1.800 peak 803 spectrum 1 weight 0.10000E+01 volume 0.65894E-03 ppm1 3.757 ppm2 -0.136 CV 1
ASSI { 804}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 39 and name HA ))
2.100 0.600 0.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.11824E-01 ppm1 3.761 ppm2 0.877 CV 1
ASSI { 806}
(( segid " " and resid 32 and name HH2 ))
(( segid " " and resid 17 and name HB ))
4.300 2.300 1.700 peak 806 spectrum 1 weight 0.10000E+01 volume 0.74013E-03 ppm1 3.765 ppm2 6.765 CV 1
ASSI { 807}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB ))
2.500 2.500 3.500 peak 807 spectrum 1 weight 0.10000E+01 volume 0.37609E-02 ppm1 3.767 ppm2 3.275 CV 1
ASSI { 808}
(( segid " " and resid 32 and name HZ2 ))
(( segid " " and resid 17 and name HB ))
2.000 0.500 0.500 peak 808 spectrum 1 weight 0.10000E+01 volume 0.13840E-01 ppm1 3.773 ppm2 5.948 CV 1
ASSI { 810}
(( segid " " and resid 65 and name HD3 ))
(( segid " " and resid 64 and name HA1 ))
2.800 2.800 3.200 peak 810 spectrum 1 weight 0.10000E+01 volume 0.34600E-02 ppm1 3.785 ppm2 3.418 CV 1
ASSI { 811}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 99 and name HB ))
3.000 1.100 1.100 peak 811 spectrum 1 weight 0.10000E+01 volume 0.18774E-02 ppm1 3.832 ppm2 5.277 CV 1
ASSI { 813}
(( segid " " and resid 33 and name HA2 ))
(( segid " " and resid 33 and name HA1 ))
1.800 1.800 4.200 peak 813 spectrum 1 weight 0.10000E+01 volume 0.17661E-01 ppm1 3.865 ppm2 4.331 CV 1
ASSI { 814}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 72 and name HA ))
2.200 0.600 0.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.65894E-02 ppm1 3.870 ppm2 5.644 CV 1
ASSI { 817}
( segid " " and resid 72 and name HG1%)
(( segid " " and resid 72 and name HA ))
2.400 0.700 0.700 peak 817 spectrum 1 weight 0.10000E+01 volume 0.55962E-02 ppm1 3.880 ppm2 0.512 CV 1
ASSI { 818}
(( segid " " and resid 80 and name HA ))
(( segid " " and resid 102 and name HA ))
3.100 3.100 2.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.18504E-02 ppm1 3.899 ppm2 4.347 CV 1
ASSI { 819}
( segid " " and resid 102 and name HB% )
(( segid " " and resid 102 and name HA ))
2.100 0.500 0.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.16638E-01 ppm1 3.903 ppm2 1.396 CV 1
ASSI { 820}
(( segid " " and resid 44 and name HA1 ))
(( segid " " and resid 44 and name HA2 ))
1.700 1.700 4.300 peak 820 spectrum 1 weight 0.10000E+01 volume 0.28222E-01 ppm1 3.918 ppm2 3.796 CV 1
ASSI { 821}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 52 and name HB ))
2.200 0.600 0.600 peak 821 spectrum 1 weight 0.10000E+01 volume 0.12336E-01 ppm1 3.931 ppm2 1.103 CV 1
ASSI { 822}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 61 and name HB2 ))
3.500 1.500 1.500 peak 822 spectrum 1 weight 0.10000E+01 volume 0.88456E-03 ppm1 3.933 ppm2 0.106 CV 1
ASSI { 824}
( segid " " and resid 108 and name HD% )
(( segid " " and resid 61 and name HB2 ))
2.800 1.000 1.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.20159E-02 ppm1 3.937 ppm2 7.071 CV 1
ASSI { 825}
( segid " " and resid 108 and name HE% )
(( segid " " and resid 61 and name HB2 ))
2.800 1.000 1.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.19948E-02 ppm1 3.938 ppm2 6.729 CV 1
ASSI { 827}
(( segid " " and resid 92 and name HD2 ))
(( segid " " and resid 91 and name HA1 ))
2.300 2.300 3.700 peak 827 spectrum 1 weight 0.10000E+01 volume 0.68296E-02 ppm1 3.984 ppm2 3.538 CV 1
OR { 827}
(( segid " " and resid 92 and name HD3 ))
(( segid " " and resid 91 and name HA1 ))
ASSI { 828}
( segid " " and resid 40 and name HB% )
(( segid " " and resid 40 and name HA ))
2.100 0.500 0.500 peak 828 spectrum 1 weight 0.10000E+01 volume 0.17421E-01 ppm1 3.986 ppm2 1.341 CV 1
ASSI { 831}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 84 and name HB3 ))
2.500 0.800 0.800 peak 831 spectrum 1 weight 0.10000E+01 volume 0.50547E-02 ppm1 3.989 ppm2 5.597 CV 1
ASSI { 832}
(( segid " " and resid 73 and name HG3 ))
(( segid " " and resid 84 and name HB3 ))
4.200 2.200 1.800 peak 832 spectrum 1 weight 0.10000E+01 volume 0.21121E-03 ppm1 3.993 ppm2 2.501 CV 1
ASSI { 833}
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 19 and name HB2 ))
2.900 1.100 1.100 peak 833 spectrum 1 weight 0.10000E+01 volume 0.14021E-02 ppm1 3.994 ppm2 1.636 CV 1
ASSI { 840}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HA ))
2.500 0.800 0.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.87254E-02 ppm1 4.031 ppm2 1.890 CV 1
ASSI { 842}
(( segid " " and resid 67 and name HA2 ))
(( segid " " and resid 67 and name HA1 ))
1.900 1.900 4.100 peak 842 spectrum 1 weight 0.10000E+01 volume 0.14021E-01 ppm1 4.034 ppm2 4.185 CV 1
ASSI { 843}
( segid " " and resid 35 and name HB% )
(( segid " " and resid 67 and name HA1 ))
4.800 2.800 1.200 peak 843 spectrum 1 weight 0.10000E+01 volume 0.59271E-03 ppm1 4.035 ppm2 1.099 CV 1
ASSI { 844}
( segid " " and resid 110 and name HE% )
(( segid " " and resid 51 and name HB2 ))
2.200 2.200 3.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.51149E-02 ppm1 4.038 ppm2 7.576 CV 1
ASSI { 846}
( segid " " and resid 28 and name HG2%)
(( segid " " and resid 28 and name HA ))
2.400 0.700 0.700 peak 846 spectrum 1 weight 0.10000E+01 volume 0.11373E-01 ppm1 4.039 ppm2 0.378 CV 1
OR { 846}
(( segid " " and resid 28 and name HG13))
(( segid " " and resid 28 and name HA ))
ASSI { 849}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 105 and name HA ))
3.700 1.800 1.800 peak 849 spectrum 1 weight 0.10000E+01 volume 0.98688E-03 ppm1 4.054 ppm2 0.858 CV 1
ASSI { 852}
( segid " " and resid 100 and name HG2%)
(( segid " " and resid 105 and name HA ))
2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.52653E-02 ppm1 4.057 ppm2 1.016 CV 1
ASSI { 854}
( segid " " and resid 108 and name HD% )
(( segid " " and resid 105 and name HA ))
2.500 0.800 0.800 peak 854 spectrum 1 weight 0.10000E+01 volume 0.42122E-02 ppm1 4.059 ppm2 7.070 CV 1
ASSI { 856}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HA ))
3.000 1.100 1.100 peak 856 spectrum 1 weight 0.10000E+01 volume 0.24641E-02 ppm1 4.079 ppm2 2.702 CV 1
ASSI { 857}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 19 and name HA ))
3.000 1.100 1.100 peak 857 spectrum 1 weight 0.10000E+01 volume 0.14322E-02 ppm1 4.082 ppm2 7.678 CV 1
ASSI { 858}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 19 and name HA ))
3.100 1.200 1.200 peak 858 spectrum 1 weight 0.10000E+01 volume 0.11644E-02 ppm1 4.083 ppm2 2.059 CV 1
ASSI { 861}
(( segid " " and resid 73 and name HG3 ))
(( segid " " and resid 84 and name HB2 ))
3.800 1.800 1.800 peak 861 spectrum 1 weight 0.10000E+01 volume 0.42122E-03 ppm1 4.112 ppm2 2.491 CV 1
ASSI { 862}
( segid " " and resid 110 and name HE% )
(( segid " " and resid 48 and name HB ))
3.300 3.300 2.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.16939E-02 ppm1 4.113 ppm2 7.553 CV 1
ASSI { 863}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 84 and name HB2 ))
2.700 0.900 0.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.34299E-02 ppm1 4.116 ppm2 5.595 CV 1
ASSI { 865}
(( segid " " and resid 92 and name HD3 ))
(( segid " " and resid 91 and name HA2 ))
2.800 2.800 3.200 peak 865 spectrum 1 weight 0.10000E+01 volume 0.96881E-02 ppm1 4.121 ppm2 3.554 CV 1
OR { 865}
(( segid " " and resid 92 and name HD2 ))
(( segid " " and resid 91 and name HA2 ))
ASSI { 866}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 82 and name HB ))
3.100 3.100 2.900 peak 866 spectrum 1 weight 0.10000E+01 volume 0.20550E-02 ppm1 4.127 ppm2 4.807 CV 1
ASSI { 867}
( segid " " and resid 21 and name HE% )
(( segid " " and resid 30 and name HA ))
3.400 1.500 1.500 peak 867 spectrum 1 weight 0.10000E+01 volume 0.11313E-02 ppm1 4.130 ppm2 6.375 CV 1
ASSI { 869}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HA ))
2.500 2.500 3.500 peak 869 spectrum 1 weight 0.10000E+01 volume 0.55061E-02 ppm1 4.131 ppm2 3.732 CV 1
ASSI { 872}
( segid " " and resid 71 and name HE% )
(( segid " " and resid 56 and name HA2 ))
2.500 2.500 3.500 peak 872 spectrum 1 weight 0.10000E+01 volume 0.21723E-02 ppm1 4.134 ppm2 6.644 CV 1
ASSI { 873}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HA ))
2.900 1.000 1.000 peak 873 spectrum 1 weight 0.10000E+01 volume 0.38512E-02 ppm1 4.147 ppm2 1.662 CV 1
ASSI { 874}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HA ))
2.400 0.700 0.700 peak 874 spectrum 1 weight 0.10000E+01 volume 0.67395E-02 ppm1 4.150 ppm2 2.328 CV 1
OR { 874}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HA ))
ASSI { 876}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HB2 ))
1.700 1.700 4.300 peak 876 spectrum 1 weight 0.10000E+01 volume 0.31291E-01 ppm1 4.155 ppm2 3.999 CV 1
ASSI { 877}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB2 ))
3.000 3.000 3.000 peak 877 spectrum 1 weight 0.10000E+01 volume 0.20820E-02 ppm1 4.164 ppm2 4.540 CV 1
ASSI { 878}
( segid " " and resid 49 and name HG1%)
(( segid " " and resid 48 and name HA ))
3.100 1.200 1.200 peak 878 spectrum 1 weight 0.10000E+01 volume 0.24160E-02 ppm1 4.169 ppm2 0.964 CV 1
ASSI { 879}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HA ))
2.800 1.000 1.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.33999E-02 ppm1 4.175 ppm2 2.469 CV 1
ASSI { 880}
( segid " " and resid 48 and name HG2%)
(( segid " " and resid 48 and name HA ))
2.300 0.700 0.700 peak 880 spectrum 1 weight 0.10000E+01 volume 0.96580E-02 ppm1 4.176 ppm2 1.147 CV 1
ASSI { 885}
(( segid " " and resid 87 and name HB2 ))
(( segid " " and resid 87 and name HA ))
3.700 3.700 2.300 peak 885 spectrum 1 weight 0.10000E+01 volume 0.38512E-03 ppm1 4.191 ppm2 3.499 CV 1
ASSI { 886}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 67 and name HA2 ))
3.000 1.100 1.100 peak 886 spectrum 1 weight 0.10000E+01 volume 0.18113E-02 ppm1 4.193 ppm2 2.479 CV 1
ASSI { 887}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 38 and name HA ))
3.100 1.200 1.200 peak 887 spectrum 1 weight 0.10000E+01 volume 0.12967E-02 ppm1 4.194 ppm2 0.866 CV 1
ASSI { 889}
(( segid " " and resid 103 and name HB3 ))
(( segid " " and resid 103 and name HA ))
2.300 2.300 3.700 peak 889 spectrum 1 weight 0.10000E+01 volume 0.10651E-01 ppm1 4.197 ppm2 3.876 CV 1
OR { 889}
(( segid " " and resid 103 and name HB2 ))
(( segid " " and resid 103 and name HA ))
ASSI { 890}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 38 and name HA ))
2.800 0.900 0.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.28192E-02 ppm1 4.197 ppm2 2.608 CV 1
OR { 890}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 38 and name HA ))
ASSI { 894}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 38 and name HA ))
2.600 0.800 0.800 peak 894 spectrum 1 weight 0.10000E+01 volume 0.51750E-02 ppm1 4.200 ppm2 0.442 CV 1
ASSI { 895}
(( segid " " and resid 32 and name HE3 ))
(( segid " " and resid 38 and name HA ))
4.500 2.500 1.500 peak 895 spectrum 1 weight 0.10000E+01 volume 0.38211E-03 ppm1 4.203 ppm2 5.923 CV 1
ASSI { 896}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HA ))
3.600 1.600 1.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.69203E-03 ppm1 4.203 ppm2 1.125 CV 1
ASSI { 897}
(( segid " " and resid 4 and name HG13))
(( segid " " and resid 4 and name HA ))
3.700 1.700 1.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.62279E-03 ppm1 4.203 ppm2 1.388 CV 1
OR { 897}
(( segid " " and resid 4 and name HG12))
(( segid " " and resid 4 and name HA ))
ASSI { 898}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HA ))
2.700 0.900 0.900 peak 898 spectrum 1 weight 0.10000E+01 volume 0.32193E-02 ppm1 4.203 ppm2 1.826 CV 1
ASSI { 899}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 4 and name HA ))
3.000 1.100 1.100 peak 899 spectrum 1 weight 0.10000E+01 volume 0.27500E-02 ppm1 4.205 ppm2 0.809 CV 1
ASSI { 900}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 38 and name HA ))
3.500 3.500 2.500 peak 900 spectrum 1 weight 0.10000E+01 volume 0.13961E-02 ppm1 4.206 ppm2 4.800 CV 1
ASSI { 902}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HA ))
2.500 0.800 0.800 peak 902 spectrum 1 weight 0.10000E+01 volume 0.40016E-02 ppm1 4.209 ppm2 1.322 CV 1
ASSI { 903}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 59 and name HA ))
2.500 0.800 0.800 peak 903 spectrum 1 weight 0.10000E+01 volume 0.52352E-02 ppm1 4.211 ppm2 0.954 CV 1
ASSI { 904}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 59 and name HA ))
4.300 2.300 1.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.44228E-03 ppm1 4.215 ppm2 0.116 CV 1
ASSI { 906}
( segid " " and resid 71 and name HE% )
(( segid " " and resid 73 and name HA ))
2.600 0.800 0.800 peak 906 spectrum 1 weight 0.10000E+01 volume 0.51449E-02 ppm1 4.240 ppm2 6.653 CV 1
ASSI { 908}
( segid " " and resid 10 and name HD2%)
(( segid " " and resid 10 and name HA ))
2.200 0.600 0.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.11373E-01 ppm1 4.247 ppm2 0.632 CV 1
ASSI { 909}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HA ))
2.400 0.700 0.700 peak 909 spectrum 1 weight 0.10000E+01 volume 0.53555E-02 ppm1 4.247 ppm2 1.245 CV 1
ASSI { 910}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HA ))
2.600 0.900 0.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.64988E-02 ppm1 4.248 ppm2 1.435 CV 1
ASSI { 911}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 22 and name HA ))
3.000 1.100 1.100 peak 911 spectrum 1 weight 0.10000E+01 volume 0.18083E-02 ppm1 4.255 ppm2 6.796 CV 1
ASSI { 912}
( segid " " and resid 102 and name HB% )
(( segid " " and resid 79 and name HA2 ))
2.600 0.800 0.800 peak 912 spectrum 1 weight 0.10000E+01 volume 0.47538E-02 ppm1 4.255 ppm2 1.390 CV 1
ASSI { 915}
( segid " " and resid 75 and name HG2%)
(( segid " " and resid 79 and name HA2 ))
3.500 1.600 1.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.15254E-02 ppm1 4.262 ppm2 0.806 CV 1
ASSI { 916}
(( segid " " and resid 100 and name HG12))
(( segid " " and resid 100 and name HA ))
3.000 1.100 1.100 peak 916 spectrum 1 weight 0.10000E+01 volume 0.18083E-02 ppm1 4.272 ppm2 1.226 CV 1
ASSI { 922}
(( segid " " and resid 100 and name HB ))
(( segid " " and resid 100 and name HA ))
2.700 0.900 0.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.31893E-02 ppm1 4.280 ppm2 1.835 CV 1
ASSI { 923}
( segid " " and resid 100 and name HG2%)
(( segid " " and resid 100 and name HA ))
2.200 0.600 0.600 peak 923 spectrum 1 weight 0.10000E+01 volume 0.98087E-02 ppm1 4.288 ppm2 1.010 CV 1
ASSI { 924}
(( segid " " and resid 113 and name HG13))
(( segid " " and resid 113 and name HA ))
3.200 1.300 1.300 peak 924 spectrum 1 weight 0.10000E+01 volume 0.16999E-02 ppm1 4.304 ppm2 1.267 CV 1
ASSI { 925}
(( segid " " and resid 113 and name HB ))
(( segid " " and resid 113 and name HA ))
2.500 0.800 0.800 peak 925 spectrum 1 weight 0.10000E+01 volume 0.50547E-02 ppm1 4.305 ppm2 1.859 CV 1
ASSI { 926}
( segid " " and resid 47 and name HD% )
(( segid " " and resid 113 and name HA ))
2.600 0.900 0.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.37309E-02 ppm1 4.306 ppm2 7.690 CV 1
ASSI { 927}
(( segid " " and resid 43 and name HG2 ))
(( segid " " and resid 43 and name HA ))
2.700 0.900 0.900 peak 927 spectrum 1 weight 0.10000E+01 volume 0.24581E-02 ppm1 4.307 ppm2 2.549 CV 1
ASSI { 928}
(( segid " " and resid 113 and name HG12))
(( segid " " and resid 113 and name HA ))
3.100 1.200 1.200 peak 928 spectrum 1 weight 0.10000E+01 volume 0.16277E-02 ppm1 4.307 ppm2 1.461 CV 1
ASSI { 929}
( segid " " and resid 113 and name HG2%)
(( segid " " and resid 113 and name HA ))
2.500 0.800 0.800 peak 929 spectrum 1 weight 0.10000E+01 volume 0.55962E-02 ppm1 4.307 ppm2 0.894 CV 1
ASSI { 930}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HA ))
2.100 0.600 0.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.13901E-01 ppm1 4.309 ppm2 2.110 CV 1
OR { 930}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 43 and name HA ))
ASSI { 931}
(( segid " " and resid 43 and name HG3 ))
(( segid " " and resid 43 and name HA ))
2.800 1.000 1.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.37609E-02 ppm1 4.311 ppm2 2.355 CV 1
ASSI { 932}
( segid " " and resid 75 and name HG1%)
(( segid " " and resid 75 and name HA ))
2.500 0.800 0.800 peak 932 spectrum 1 weight 0.10000E+01 volume 0.72812E-02 ppm1 4.318 ppm2 0.544 CV 1
ASSI { 933}
( segid " " and resid 75 and name HG2%)
(( segid " " and resid 75 and name HA ))
2.200 0.600 0.600 peak 933 spectrum 1 weight 0.10000E+01 volume 0.92065E-02 ppm1 4.318 ppm2 0.814 CV 1
ASSI { 935}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 74 and name HA ))
2.400 0.700 0.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.36706E-02 ppm1 4.319 ppm2 1.748 CV 1
ASSI { 937}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 74 and name HA ))
3.400 3.400 2.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.71605E-03 ppm1 4.324 ppm2 3.778 CV 1
ASSI { 938}
(( segid " " and resid 55 and name HG2 ))
(( segid " " and resid 74 and name HA ))
3.300 1.300 1.300 peak 938 spectrum 1 weight 0.10000E+01 volume 0.24100E-02 ppm1 4.329 ppm2 1.413 CV 1
ASSI { 941}
(( segid " " and resid 80 and name HB3 ))
(( segid " " and resid 80 and name HA ))
2.100 2.100 3.900 peak 941 spectrum 1 weight 0.10000E+01 volume 0.15706E-01 ppm1 4.346 ppm2 3.969 CV 1
OR { 941}
(( segid " " and resid 80 and name HB2 ))
(( segid " " and resid 80 and name HA ))
ASSI { 942}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HA ))
2.900 1.100 1.100 peak 942 spectrum 1 weight 0.10000E+01 volume 0.23047E-02 ppm1 4.348 ppm2 2.937 CV 1
ASSI { 943}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 11 and name HA ))
2.700 0.900 0.900 peak 943 spectrum 1 weight 0.10000E+01 volume 0.31893E-02 ppm1 4.349 ppm2 7.216 CV 1
ASSI { 944}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HA ))
2.700 0.900 0.900 peak 944 spectrum 1 weight 0.10000E+01 volume 0.29516E-02 ppm1 4.350 ppm2 3.481 CV 1
ASSI { 945}
( segid " " and resid 88 and name HD% )
(( segid " " and resid 88 and name HA ))
2.800 1.000 1.000 peak 945 spectrum 1 weight 0.10000E+01 volume 0.22806E-02 ppm1 4.358 ppm2 6.239 CV 1
ASSI { 946}
(( segid " " and resid 88 and name HB2 ))
(( segid " " and resid 88 and name HA ))
2.300 0.600 0.600 peak 946 spectrum 1 weight 0.10000E+01 volume 0.71305E-02 ppm1 4.360 ppm2 2.517 CV 1
ASSI { 947}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 15 and name HA ))
3.000 1.100 1.100 peak 947 spectrum 1 weight 0.10000E+01 volume 0.35804E-02 ppm1 4.379 ppm2 2.018 CV 1
ASSI { 948}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HA ))
2.900 1.100 1.100 peak 948 spectrum 1 weight 0.10000E+01 volume 0.20760E-02 ppm1 4.379 ppm2 2.531 CV 1
ASSI { 949}
(( segid " " and resid 18 and name HD1 ))
(( segid " " and resid 18 and name HA ))
3.100 1.200 1.200 peak 949 spectrum 1 weight 0.10000E+01 volume 0.17210E-02 ppm1 4.379 ppm2 7.345 CV 1
ASSI { 951}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HA ))
2.400 0.800 0.800 peak 951 spectrum 1 weight 0.10000E+01 volume 0.44529E-02 ppm1 4.380 ppm2 2.215 CV 1
OR { 951}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HA ))
ASSI { 953}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 18 and name HA ))
2.600 0.800 0.800 peak 953 spectrum 1 weight 0.10000E+01 volume 0.47839E-02 ppm1 4.381 ppm2 2.933 CV 1
ASSI { 954}
(( segid " " and resid 111 and name HG12))
(( segid " " and resid 111 and name HA ))
2.900 1.000 1.000 peak 954 spectrum 1 weight 0.10000E+01 volume 0.26778E-02 ppm1 4.383 ppm2 1.598 CV 1
ASSI { 955}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 111 and name HA ))
2.500 0.800 0.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.46334E-02 ppm1 4.384 ppm2 5.474 CV 1
ASSI { 956}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 18 and name HA ))
3.100 1.200 1.200 peak 956 spectrum 1 weight 0.10000E+01 volume 0.32193E-02 ppm1 4.384 ppm2 7.210 CV 1
ASSI { 957}
( segid " " and resid 111 and name HG2%)
(( segid " " and resid 111 and name HA ))
2.100 0.500 0.500 peak 957 spectrum 1 weight 0.10000E+01 volume 0.13118E-01 ppm1 4.387 ppm2 0.754 CV 1
ASSI { 958}
( segid " " and resid 71 and name HE% )
(( segid " " and resid 24 and name HA ))
3.000 1.100 1.100 peak 958 spectrum 1 weight 0.10000E+01 volume 0.19015E-02 ppm1 4.388 ppm2 6.669 CV 1
ASSI { 959}
(( segid " " and resid 111 and name HB ))
(( segid " " and resid 111 and name HA ))
2.500 0.800 0.800 peak 959 spectrum 1 weight 0.10000E+01 volume 0.31592E-02 ppm1 4.388 ppm2 1.964 CV 1
ASSI { 963}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 24 and name HA ))
2.400 0.700 0.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.69803E-02 ppm1 4.392 ppm2 2.483 CV 1
ASSI { 964}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HA ))
2.100 2.100 3.900 peak 964 spectrum 1 weight 0.10000E+01 volume 0.18173E-01 ppm1 4.400 ppm2 3.840 CV 1
OR { 964}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HA ))
ASSI { 965}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 31 and name HA ))
2.500 0.800 0.800 peak 965 spectrum 1 weight 0.10000E+01 volume 0.78529E-02 ppm1 4.463 ppm2 0.979 CV 1
ASSI { 966}
( segid " " and resid 41 and name HB% )
(( segid " " and resid 32 and name HA ))
2.500 0.800 0.800 peak 966 spectrum 1 weight 0.10000E+01 volume 0.39715E-02 ppm1 4.469 ppm2 0.440 CV 1
ASSI { 967}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HA ))
2.400 0.700 0.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.53555E-02 ppm1 4.470 ppm2 2.606 CV 1
OR { 967}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HA ))
ASSI { 968}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 70 and name HA ))
6.000 6.000 0.000 peak 968 spectrum 1 weight 0.10000E+01 volume 0.24822E-04 ppm1 4.478 ppm2 5.150 CV 1
ASSI { 972}
(( segid " " and resid 85 and name HB3 ))
(( segid " " and resid 70 and name HA ))
5.200 3.400 0.800 peak 972 spectrum 1 weight 0.10000E+01 volume 0.36405E-04 ppm1 4.483 ppm2 1.808 CV 1
ASSI { 973}
( segid " " and resid 93 and name HD% )
(( segid " " and resid 93 and name HA ))
2.700 0.900 0.900 peak 973 spectrum 1 weight 0.10000E+01 volume 0.30388E-02 ppm1 4.483 ppm2 7.147 CV 1
ASSI { 975}
(( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 70 and name HA ))
6.000 5.400 0.000 peak 975 spectrum 1 weight 0.10000E+01 volume 0.67095E-04 ppm1 4.485 ppm2 2.320 CV 1
ASSI { 976}
(( segid " " and resid 86 and name HG2 ))
(( segid " " and resid 93 and name HA ))
2.600 0.900 0.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.27741E-02 ppm1 4.486 ppm2 2.225 CV 1
ASSI { 977}
(( segid " " and resid 93 and name HB3 ))
(( segid " " and resid 93 and name HA ))
2.900 1.000 1.000 peak 977 spectrum 1 weight 0.10000E+01 volume 0.16428E-02 ppm1 4.490 ppm2 3.366 CV 1
ASSI { 978}
(( segid " " and resid 107 and name HB2 ))
(( segid " " and resid 107 and name HA ))
2.200 0.600 0.600 peak 978 spectrum 1 weight 0.10000E+01 volume 0.10049E-01 ppm1 4.504 ppm2 2.567 CV 1
ASSI { 979}
(( segid " " and resid 78 and name HB3 ))
(( segid " " and resid 78 and name HA ))
2.500 0.800 0.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.55962E-02 ppm1 4.571 ppm2 2.608 CV 1
ASSI { 980}
(( segid " " and resid 78 and name HB2 ))
(( segid " " and resid 78 and name HA ))
2.800 1.000 1.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.39715E-02 ppm1 4.574 ppm2 3.056 CV 1
ASSI { 982}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 47 and name HA ))
2.800 1.000 1.000 peak 982 spectrum 1 weight 0.10000E+01 volume 0.43927E-02 ppm1 4.587 ppm2 3.063 CV 1
ASSI { 983}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HA ))
2.900 1.100 1.100 peak 983 spectrum 1 weight 0.10000E+01 volume 0.16247E-02 ppm1 4.587 ppm2 2.699 CV 1
ASSI { 984}
( segid " " and resid 47 and name HD% )
(( segid " " and resid 47 and name HA ))
3.000 1.100 1.100 peak 984 spectrum 1 weight 0.10000E+01 volume 0.12817E-02 ppm1 4.587 ppm2 7.700 CV 1
ASSI { 985}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 52 and name HA ))
4.600 2.700 1.400 peak 985 spectrum 1 weight 0.10000E+01 volume 0.49343E-03 ppm1 4.592 ppm2 1.741 CV 1
ASSI { 986}
(( segid " " and resid 112 and name HB3 ))
(( segid " " and resid 112 and name HA ))
2.300 0.700 0.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.84846E-02 ppm1 4.593 ppm2 3.084 CV 1
ASSI { 987}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 52 and name HA ))
2.400 0.700 0.700 peak 987 spectrum 1 weight 0.10000E+01 volume 0.65588E-02 ppm1 4.594 ppm2 1.102 CV 1
ASSI { 989}
(( segid " " and resid 53 and name HD3 ))
(( segid " " and resid 52 and name HA ))
3.000 1.100 1.100 peak 989 spectrum 1 weight 0.10000E+01 volume 0.64988E-02 ppm1 4.595 ppm2 3.499 CV 1
ASSI { 990}
(( segid " " and resid 52 and name HB ))
(( segid " " and resid 52 and name HA ))
2.700 2.700 3.300 peak 990 spectrum 1 weight 0.10000E+01 volume 0.30689E-02 ppm1 4.595 ppm2 3.930 CV 1
ASSI { 991}
(( segid " " and resid 53 and name HG3 ))
(( segid " " and resid 52 and name HA ))
4.100 2.100 1.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.18714E-02 ppm1 4.604 ppm2 1.567 CV 1
ASSI { 992}
(( segid " " and resid 108 and name HB2 ))
(( segid " " and resid 108 and name HA ))
3.000 1.100 1.100 peak 992 spectrum 1 weight 0.10000E+01 volume 0.28553E-02 ppm1 4.615 ppm2 2.892 CV 1
ASSI { 993}
(( segid " " and resid 108 and name HB3 ))
(( segid " " and resid 108 and name HA ))
2.900 1.000 1.000 peak 993 spectrum 1 weight 0.10000E+01 volume 0.16488E-02 ppm1 4.615 ppm2 2.359 CV 1
ASSI { 994}
( segid " " and resid 108 and name HD% )
(( segid " " and resid 108 and name HA ))
2.600 0.800 0.800 peak 994 spectrum 1 weight 0.10000E+01 volume 0.33397E-02 ppm1 4.616 ppm2 7.074 CV 1
ASSI { 995}
(( segid " " and resid 94 and name HB2 ))
(( segid " " and resid 94 and name HA ))
2.200 2.200 3.800 peak 995 spectrum 1 weight 0.10000E+01 volume 0.16879E-01 ppm1 4.617 ppm2 4.061 CV 1
ASSI { 996}
(( segid " " and resid 94 and name HB3 ))
(( segid " " and resid 94 and name HA ))
2.500 0.800 0.800 peak 996 spectrum 1 weight 0.10000E+01 volume 0.43627E-02 ppm1 4.623 ppm2 3.747 CV 1
ASSI { 997}
( segid " " and resid 45 and name HB% )
(( segid " " and resid 45 and name HA ))
2.200 0.600 0.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.12035E-01 ppm1 4.623 ppm2 1.853 CV 1
ASSI { 998}
( segid " " and resid 57 and name HB% )
(( segid " " and resid 57 and name HA ))
2.200 0.600 0.600 peak 998 spectrum 1 weight 0.10000E+01 volume 0.10230E-01 ppm1 4.628 ppm2 1.111 CV 1
ASSI { 999}
( segid " " and resid 95 and name HG1%)
(( segid " " and resid 94 and name HA ))
3.800 1.800 1.800 peak 999 spectrum 1 weight 0.10000E+01 volume 0.12546E-02 ppm1 4.636 ppm2 0.796 CV 1
ASSI { 1000}
(( segid " " and resid 98 and name HG3 ))
(( segid " " and resid 98 and name HA ))
2.700 0.900 0.900 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.35804E-02 ppm1 4.643 ppm2 1.350 CV 1
OR { 1000}
(( segid " " and resid 98 and name HG2 ))
(( segid " " and resid 98 and name HA ))
ASSI { 1001}
(( segid " " and resid 98 and name HB2 ))
(( segid " " and resid 98 and name HA ))
2.300 0.700 0.700 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.81838E-02 ppm1 4.643 ppm2 1.627 CV 1
OR { 1001}
(( segid " " and resid 98 and name HB3 ))
(( segid " " and resid 98 and name HA ))
ASSI { 1002}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB ))
2.600 2.600 3.400 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.46334E-02 ppm1 4.651 ppm2 4.472 CV 1
ASSI { 1003}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 31 and name HB ))
2.200 0.600 0.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.12637E-01 ppm1 4.652 ppm2 0.983 CV 1
ASSI { 1006}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 81 and name HA ))
2.100 0.600 0.600 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.12486E-01 ppm1 4.689 ppm2 0.859 CV 1
ASSI { 1007}
(( segid " " and resid 53 and name HD3 ))
(( segid " " and resid 106 and name HA2 ))
3.100 3.100 2.900 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.40919E-02 ppm1 4.703 ppm2 3.510 CV 1
ASSI { 1008}
(( segid " " and resid 106 and name HA1 ))
(( segid " " and resid 106 and name HA2 ))
2.300 0.700 0.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.52352E-02 ppm1 4.703 ppm2 3.866 CV 1
ASSI { 1009}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 58 and name HA ))
3.300 3.300 2.700 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.65894E-03 ppm1 4.709 ppm2 0.807 CV 1
ASSI { 1010}
(( segid " " and resid 58 and name HB ))
(( segid " " and resid 58 and name HA ))
2.600 0.900 0.900 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.26717E-02 ppm1 4.713 ppm2 2.006 CV 1
ASSI { 1011}
(( segid " " and resid 58 and name HG13))
(( segid " " and resid 58 and name HA ))
2.400 0.700 0.700 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.55962E-02 ppm1 4.715 ppm2 1.000 CV 1
OR { 1011}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 58 and name HA ))
ASSI { 1012}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HA ))
2.200 0.600 0.600 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.61078E-02 ppm1 4.715 ppm2 1.132 CV 1
ASSI { 1013}
(( segid " " and resid 58 and name HG12))
(( segid " " and resid 58 and name HA ))
2.900 1.000 1.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.28402E-02 ppm1 4.715 ppm2 1.846 CV 1
ASSI { 1014}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 50 and name HA ))
2.500 0.800 0.800 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.43627E-02 ppm1 4.725 ppm2 3.072 CV 1
ASSI { 1015}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 50 and name HA ))
2.900 1.100 1.100 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.36706E-02 ppm1 4.725 ppm2 3.324 CV 1
ASSI { 1016}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 50 and name HA ))
3.500 1.500 1.500 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.83645E-03 ppm1 4.728 ppm2 0.751 CV 1
ASSI { 1017}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 76 and name HA ))
2.600 0.800 0.800 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.38813E-02 ppm1 4.782 ppm2 2.787 CV 1
ASSI { 1019}
( segid " " and resid 95 and name HG2%)
(( segid " " and resid 95 and name HA ))
2.400 0.700 0.700 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.64087E-02 ppm1 4.794 ppm2 0.813 CV 1
OR { 1019}
( segid " " and resid 95 and name HG1%)
(( segid " " and resid 95 and name HA ))
ASSI { 1020}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 95 and name HA ))
2.600 2.600 3.400 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.21844E-02 ppm1 4.794 ppm2 5.213 CV 1
ASSI { 1021}
(( segid " " and resid 95 and name HB ))
(( segid " " and resid 95 and name HA ))
2.800 1.000 1.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.18383E-02 ppm1 4.795 ppm2 1.885 CV 1
ASSI { 1022}
( segid " " and resid 95 and name HG2%)
(( segid " " and resid 96 and name HA ))
3.300 1.300 1.300 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.15495E-02 ppm1 4.802 ppm2 0.830 CV 1
ASSI { 1023}
( segid " " and resid 86 and name HE% )
(( segid " " and resid 95 and name HA ))
3.700 1.700 1.700 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.14322E-02 ppm1 4.803 ppm2 2.222 CV 1
OR { 1023}
(( segid " " and resid 86 and name HG2 ))
(( segid " " and resid 95 and name HA ))
ASSI { 1024}
(( segid " " and resid 96 and name HB3 ))
(( segid " " and resid 96 and name HA ))
2.700 0.900 0.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.37910E-02 ppm1 4.805 ppm2 3.793 CV 1
ASSI { 1025}
(( segid " " and resid 96 and name HB2 ))
(( segid " " and resid 96 and name HA ))
2.700 2.700 3.300 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.34299E-02 ppm1 4.805 ppm2 4.064 CV 1
ASSI { 1026}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 76 and name HA ))
2.500 2.500 3.500 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.24972E-02 ppm1 4.810 ppm2 0.894 CV 1
ASSI { 1027}
(( segid " " and resid 86 and name HB2 ))
(( segid " " and resid 95 and name HA ))
3.100 3.100 2.900 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.29456E-02 ppm1 4.825 ppm2 1.627 CV 1
ASSI { 1028}
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 95 and name HA ))
3.200 3.200 2.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.23980E-02 ppm1 4.826 ppm2 3.571 CV 1
ASSI { 1029}
(( segid " " and resid 86 and name HB3 ))
(( segid " " and resid 95 and name HA ))
4.400 2.500 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.70704E-03 ppm1 4.826 ppm2 1.362 CV 1
ASSI { 1031}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 71 and name HA ))
2.600 0.800 0.800 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.20068E-02 ppm1 4.890 ppm2 3.210 CV 1
ASSI { 1032}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 71 and name HA ))
2.700 0.900 0.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.40016E-02 ppm1 4.890 ppm2 2.478 CV 1
ASSI { 1033}
( segid " " and resid 71 and name HD% )
(( segid " " and resid 71 and name HA ))
2.600 0.800 0.800 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.37309E-02 ppm1 4.891 ppm2 6.724 CV 1
ASSI { 1035}
(( segid " " and resid 61 and name HB3 ))
(( segid " " and resid 61 and name HA ))
3.400 1.400 1.400 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.12516E-02 ppm1 4.915 ppm2 3.680 CV 1
ASSI { 1036}
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 61 and name HA ))
2.500 0.800 0.800 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.40317E-02 ppm1 4.916 ppm2 3.941 CV 1
ASSI { 1037}
( segid " " and resid 108 and name HD% )
(( segid " " and resid 61 and name HA ))
3.200 1.300 1.300 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.97181E-03 ppm1 4.916 ppm2 7.076 CV 1
ASSI { 1038}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 60 and name HA ))
4.200 2.200 1.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.39715E-03 ppm1 4.996 ppm2 1.140 CV 1
ASSI { 1040}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 60 and name HA ))
3.000 1.100 1.100 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.12877E-02 ppm1 5.000 ppm2 2.200 CV 1
ASSI { 1041}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 60 and name HA ))
3.300 1.300 1.300 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.14803E-02 ppm1 5.000 ppm2 0.108 CV 1
ASSI { 1042}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 60 and name HA ))
2.500 2.500 3.500 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.42423E-02 ppm1 5.004 ppm2 5.321 CV 1
ASSI { 1043}
(( segid " " and resid 69 and name HB ))
(( segid " " and resid 60 and name HA ))
4.700 2.800 1.300 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.27711E-03 ppm1 5.004 ppm2 1.671 CV 1
ASSI { 1044}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 60 and name HA ))
2.900 1.000 1.000 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.33096E-02 ppm1 5.004 ppm2 1.436 CV 1
ASSI { 1045}
( segid " " and resid 69 and name HG1%)
(( segid " " and resid 60 and name HA ))
2.500 0.800 0.800 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.41821E-02 ppm1 5.005 ppm2 0.604 CV 1
ASSI { 1046}
(( segid " " and resid 68 and name HB3 ))
(( segid " " and resid 60 and name HA ))
2.700 2.700 3.300 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.33999E-02 ppm1 5.005 ppm2 2.529 CV 1
ASSI { 1047}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 109 and name HA ))
3.200 1.300 1.300 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.14171E-02 ppm1 5.021 ppm2 0.752 CV 1
ASSI { 1048}
(( segid " " and resid 109 and name HB3 ))
(( segid " " and resid 109 and name HA ))
2.400 0.700 0.700 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.52051E-02 ppm1 5.023 ppm2 2.055 CV 1
ASSI { 1050}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 109 and name HA ))
3.100 3.100 2.900 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.12697E-02 ppm1 5.027 ppm2 5.722 CV 1
ASSI { 1052}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HA ))
2.800 1.000 1.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.25574E-02 ppm1 5.039 ppm2 3.145 CV 1
ASSI { 1053}
( segid " " and resid 35 and name HB% )
(( segid " " and resid 68 and name HA ))
3.000 1.100 1.100 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.21844E-02 ppm1 5.042 ppm2 1.095 CV 1
ASSI { 1054}
(( segid " " and resid 68 and name HB3 ))
(( segid " " and resid 68 and name HA ))
3.400 1.400 1.400 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.10561E-02 ppm1 5.047 ppm2 2.509 CV 1
ASSI { 1055}
( segid " " and resid 40 and name HB% )
(( segid " " and resid 37 and name HA ))
3.100 1.200 1.200 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.17812E-02 ppm1 5.055 ppm2 1.341 CV 1
ASSI { 1056}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HA ))
2.600 0.900 0.900 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.56262E-02 ppm1 5.055 ppm2 2.789 CV 1
ASSI { 1057}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HA ))
2.600 0.900 0.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.36105E-02 ppm1 5.060 ppm2 3.574 CV 1
ASSI { 1059}
(( segid " " and resid 85 and name HB2 ))
(( segid " " and resid 85 and name HA ))
2.600 0.900 0.900 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.33698E-02 ppm1 5.149 ppm2 2.290 CV 1
ASSI { 1060}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 85 and name HA ))
2.700 0.900 0.900 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.23107E-02 ppm1 5.149 ppm2 7.226 CV 1
ASSI { 1061}
(( segid " " and resid 85 and name HB3 ))
(( segid " " and resid 85 and name HA ))
2.700 0.900 0.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.24401E-02 ppm1 5.150 ppm2 1.802 CV 1
ASSI { 1063}
( segid " " and resid 19 and name HE% )
(( segid " " and resid 85 and name HA ))
2.900 1.100 1.100 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.33096E-02 ppm1 5.157 ppm2 6.672 CV 1
ASSI { 1064}
(( segid " " and resid 82 and name HB ))
(( segid " " and resid 82 and name HA ))
3.100 1.200 1.200 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.16277E-02 ppm1 5.185 ppm2 4.120 CV 1
ASSI { 1066}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 82 and name HA ))
2.400 0.700 0.700 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.65288E-02 ppm1 5.189 ppm2 1.118 CV 1
ASSI { 1067}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 82 and name HA ))
3.800 3.800 2.200 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.11614E-02 ppm1 5.190 ppm2 3.892 CV 1
ASSI { 1068}
( segid " " and resid 95 and name HG2%)
(( segid " " and resid 86 and name HA ))
3.900 1.900 1.900 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.11102E-02 ppm1 5.208 ppm2 0.808 CV 1
OR { 1068}
( segid " " and resid 95 and name HG1%)
(( segid " " and resid 86 and name HA ))
ASSI { 1069}
(( segid " " and resid 86 and name HG2 ))
(( segid " " and resid 86 and name HA ))
3.200 1.300 1.300 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.18654E-02 ppm1 5.211 ppm2 2.213 CV 1
OR { 1069}
( segid " " and resid 86 and name HE% )
(( segid " " and resid 86 and name HA ))
ASSI { 1070}
(( segid " " and resid 86 and name HB3 ))
(( segid " " and resid 86 and name HA ))
2.700 0.900 0.900 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.31592E-02 ppm1 5.213 ppm2 1.357 CV 1
ASSI { 1072}
(( segid " " and resid 86 and name HG3 ))
(( segid " " and resid 86 and name HA ))
2.800 1.000 1.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.16728E-02 ppm1 5.216 ppm2 2.066 CV 1
ASSI { 1075}
( segid " " and resid 99 and name HG2%)
(( segid " " and resid 99 and name HA ))
2.400 0.700 0.700 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.67696E-02 ppm1 5.282 ppm2 0.974 CV 1
ASSI { 1076}
(( segid " " and resid 110 and name HB2 ))
(( segid " " and resid 110 and name HA ))
2.700 0.900 0.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.28042E-02 ppm1 5.291 ppm2 2.543 CV 1
ASSI { 1077}
(( segid " " and resid 110 and name HB3 ))
(( segid " " and resid 110 and name HA ))
2.600 0.800 0.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.46033E-02 ppm1 5.292 ppm2 1.950 CV 1
ASSI { 1078}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 110 and name HA ))
2.900 1.000 1.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.23528E-02 ppm1 5.293 ppm2 4.204 CV 1
ASSI { 1080}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 69 and name HA ))
3.600 1.600 1.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.12456E-02 ppm1 5.310 ppm2 0.124 CV 1
ASSI { 1081}
(( segid " " and resid 111 and name HG13))
(( segid " " and resid 110 and name HA ))
3.300 1.400 1.400 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.25574E-02 ppm1 5.311 ppm2 0.863 CV 1
ASSI { 1083}
(( segid " " and resid 69 and name HB ))
(( segid " " and resid 69 and name HA ))
2.500 0.800 0.800 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.46033E-02 ppm1 5.319 ppm2 1.666 CV 1
ASSI { 1084}
( segid " " and resid 69 and name HG1%)
(( segid " " and resid 69 and name HA ))
2.400 0.700 0.700 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.50246E-02 ppm1 5.320 ppm2 0.603 CV 1
ASSI { 1085}
( segid " " and resid 69 and name HG2%)
(( segid " " and resid 69 and name HA ))
3.200 1.300 1.300 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.17842E-02 ppm1 5.323 ppm2 -0.138 CV 1
ASSI { 1088}
(( segid " " and resid 49 and name HB ))
(( segid " " and resid 49 and name HA ))
2.600 0.900 0.900 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.32494E-02 ppm1 5.471 ppm2 1.900 CV 1
ASSI { 1090}
( segid " " and resid 49 and name HG2%)
(( segid " " and resid 49 and name HA ))
2.400 0.700 0.700 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.88756E-02 ppm1 5.473 ppm2 0.755 CV 1
ASSI { 1091}
( segid " " and resid 49 and name HG1%)
(( segid " " and resid 49 and name HA ))
2.300 0.700 0.700 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.92065E-02 ppm1 5.473 ppm2 0.943 CV 1
ASSI { 1093}
( segid " " and resid 95 and name HG2%)
(( segid " " and resid 84 and name HA ))
3.600 1.700 1.700 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.73112E-03 ppm1 5.593 ppm2 0.832 CV 1
ASSI { 1095}
(( segid " " and resid 97 and name HB3 ))
(( segid " " and resid 97 and name HA ))
2.300 0.700 0.700 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.80637E-02 ppm1 5.619 ppm2 3.695 CV 1
OR { 1095}
(( segid " " and resid 97 and name HB2 ))
(( segid " " and resid 97 and name HA ))
ASSI { 1100}
(( segid " " and resid 73 and name HG2 ))
(( segid " " and resid 83 and name HA ))
4.400 2.400 1.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.56562E-03 ppm1 5.646 ppm2 2.622 CV 1
ASSI { 1102}
( segid " " and resid 110 and name HD% )
(( segid " " and resid 51 and name HA ))
2.600 2.600 3.400 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.43025E-02 ppm1 5.724 ppm2 6.494 CV 1
ASSI { 1103}
(( segid " " and resid 51 and name HB3 ))
(( segid " " and resid 51 and name HA ))
2.800 0.900 0.900 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.24972E-02 ppm1 5.728 ppm2 3.091 CV 1
ASSI { 1104}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 51 and name HA ))
2.700 0.900 0.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.37008E-02 ppm1 5.728 ppm2 4.026 CV 1
ASSI { 1107}
( segid " " and resid 69 and name HG1%)
(( segid " " and resid 38 and name HE3 ))
2.800 1.000 1.000 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.24611E-02 ppm1 0.600 ppm2 7.309 CV 1
ASSI { 1108}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 38 and name HD1 ))
4.400 2.500 1.600 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.25334E-03 ppm1 0.890 ppm2 7.189 CV 1
ASSI { 1109}
( segid " " and resid 17 and name HG2%)
(( segid " " and resid 38 and name HH2 ))
6.000 5.200 0.000 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.36105E-04 ppm1 0.910 ppm2 6.276 CV 1
ASSI { 1110}
(( segid " " and resid 83 and name HG13))
(( segid " " and resid 83 and name HA ))
3.700 1.700 1.700 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.70104E-03 ppm1 0.942 ppm2 5.641 CV 1
ASSI { 1111}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 38 and name HE3 ))
3.100 1.200 1.200 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.30057E-02 ppm1 1.136 ppm2 7.311 CV 1
ASSI { 1112}
(( segid " " and resid 86 and name HB3 ))
( segid " " and resid 19 and name HD% )
5.300 3.500 0.700 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.12035E-03 ppm1 1.372 ppm2 7.232 CV 1
ASSI { 1113}
(( segid " " and resid 86 and name HB2 ))
( segid " " and resid 19 and name HD% )
3.200 1.300 1.300 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.98688E-03 ppm1 1.634 ppm2 7.229 CV 1
ASSI { 1114}
(( segid " " and resid 69 and name HB ))
( segid " " and resid 69 and name HG2%)
2.300 0.700 0.700 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.59871E-02 ppm1 1.666 ppm2 -0.136 CV 1
ASSI { 1115}
(( segid " " and resid 65 and name HG3 ))
( segid " " and resid 66 and name HD% )
2.400 0.700 0.700 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.24100E-01 ppm1 1.833 ppm2 7.270 CV 1
ASSI { 1116}
(( segid " " and resid 65 and name HG2 ))
( segid " " and resid 66 and name HD% )
3.500 1.500 1.500 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.58670E-03 ppm1 1.888 ppm2 7.269 CV 1
ASSI { 1117}
(( segid " " and resid 110 and name HB3 ))
( segid " " and resid 110 and name HD% )
4.300 2.300 1.700 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.21212E-03 ppm1 1.939 ppm2 6.487 CV 1
ASSI { 1119}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HG3 ))
3.300 1.300 1.300 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.13780E-02 ppm1 2.006 ppm2 -0.012 CV 1
ASSI { 1121}
(( segid " " and resid 92 and name HG2 ))
(( segid " " and resid 92 and name HA ))
4.500 2.500 1.500 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.40618E-03 ppm1 2.080 ppm2 4.044 CV 1
ASSI { 1122}
(( segid " " and resid 14 and name HA2 ))
( segid " " and resid 93 and name HD% )
4.500 2.500 1.500 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.16097E-03 ppm1 2.195 ppm2 7.166 CV 1
ASSI { 1123}
( segid " " and resid 86 and name HE% )
( segid " " and resid 19 and name HD% )
2.400 0.700 0.700 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.67395E-02 ppm1 2.218 ppm2 7.224 CV 1
ASSI { 1124}
(( segid " " and resid 14 and name HA1 ))
(( segid " " and resid 93 and name HA ))
4.200 2.200 1.800 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.37910E-03 ppm1 2.232 ppm2 4.482 CV 1
ASSI { 1125}
(( segid " " and resid 14 and name HA1 ))
( segid " " and resid 93 and name HD% )
3.700 1.700 1.700 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.68597E-03 ppm1 2.245 ppm2 7.153 CV 1
ASSI { 1126}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 23 and name HG3 ))
2.600 0.800 0.800 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.23077E-02 ppm1 2.304 ppm2 -0.013 CV 1
ASSI { 1127}
(( segid " " and resid 108 and name HB3 ))
( segid " " and resid 108 and name HD% )
2.800 1.000 1.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.32193E-02 ppm1 2.347 ppm2 7.073 CV 1
ASSI { 1128}
(( segid " " and resid 71 and name HB3 ))
( segid " " and resid 71 and name HD% )
2.400 0.700 0.700 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.45432E-02 ppm1 2.475 ppm2 6.723 CV 1
ASSI { 1129}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 71 and name HB2 ))
1.900 0.400 0.400 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.10079E-01 ppm1 2.475 ppm2 3.221 CV 1
ASSI { 1132}
(( segid " " and resid 60 and name HG2 ))
(( segid " " and resid 38 and name HB2 ))
2.600 2.600 3.400 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.36405E-02 ppm1 2.529 ppm2 3.163 CV 1
OR { 1132}
(( segid " " and resid 60 and name HG2 ))
(( segid " " and resid 38 and name HB3 ))
ASSI { 1136}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 19 and name HD% )
2.400 0.700 0.700 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.47839E-02 ppm1 2.697 ppm2 7.230 CV 1
ASSI { 1137}
(( segid " " and resid 47 and name HB3 ))
( segid " " and resid 47 and name HD% )
2.800 1.000 1.000 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.20850E-02 ppm1 2.702 ppm2 7.706 CV 1
ASSI { 1138}
(( segid " " and resid 66 and name HB3 ))
( segid " " and resid 66 and name HD% )
2.900 1.000 1.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.23378E-02 ppm1 2.817 ppm2 7.260 CV 1
ASSI { 1140}
(( segid " " and resid 21 and name HB3 ))
( segid " " and resid 21 and name HD% )
2.700 0.900 0.900 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.26116E-02 ppm1 2.879 ppm2 6.809 CV 1
ASSI { 1141}
(( segid " " and resid 108 and name HB2 ))
( segid " " and resid 108 and name HD% )
2.500 0.800 0.800 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.35804E-02 ppm1 2.895 ppm2 7.072 CV 1
ASSI { 1142}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 66 and name HD% )
3.000 1.100 1.100 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.14893E-02 ppm1 2.933 ppm2 7.250 CV 1
ASSI { 1143}
(( segid " " and resid 11 and name HB3 ))
( segid " " and resid 11 and name HD% )
3.000 1.200 1.200 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.10290E-02 ppm1 2.935 ppm2 7.216 CV 1
ASSI { 1144}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HA ))
3.100 1.200 1.200 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.11584E-02 ppm1 2.941 ppm2 4.800 CV 1
ASSI { 1148}
(( segid " " and resid 47 and name HB2 ))
( segid " " and resid 47 and name HD% )
3.000 1.100 1.100 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.16518E-02 ppm1 3.060 ppm2 7.698 CV 1
ASSI { 1149}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HE3 ))
2.700 0.900 0.900 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.31291E-02 ppm1 3.167 ppm2 7.318 CV 1
OR { 1149}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HE3 ))
ASSI { 1150}
(( segid " " and resid 71 and name HB2 ))
( segid " " and resid 71 and name HD% )
2.500 0.800 0.800 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.36105E-02 ppm1 3.214 ppm2 6.722 CV 1
ASSI { 1151}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 47 and name HZ ))
3.100 3.100 2.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.13088E-02 ppm1 3.238 ppm2 7.093 CV 1
ASSI { 1152}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HA ))
3.500 1.600 1.600 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.89056E-03 ppm1 3.250 ppm2 4.808 CV 1
ASSI { 1153}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 66 and name HD% )
3.400 1.500 1.500 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.92671E-03 ppm1 3.270 ppm2 7.263 CV 1
ASSI { 1154}
(( segid " " and resid 93 and name HB3 ))
( segid " " and resid 93 and name HD% )
2.800 1.000 1.000 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.29004E-02 ppm1 3.369 ppm2 7.145 CV 1
ASSI { 1155}
(( segid " " and resid 26 and name HA2 ))
( segid " " and resid 21 and name HE% )
3.500 1.600 1.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.10711E-02 ppm1 3.392 ppm2 6.359 CV 1
ASSI { 1156}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HE3 ))
3.600 1.600 1.600 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.18594E-02 ppm1 3.431 ppm2 7.691 CV 1
ASSI { 1157}
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 11 and name HD% )
2.900 1.000 1.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.19015E-02 ppm1 3.493 ppm2 7.214 CV 1
ASSI { 1158}
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 11 and name HE% )
3.400 1.400 1.400 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.20850E-02 ppm1 3.499 ppm2 6.396 CV 1
ASSI { 1159}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 25 and name HA2 ))
1.900 0.400 0.400 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.19948E-01 ppm1 3.528 ppm2 3.748 CV 1
ASSI { 1161}
(( segid " " and resid 93 and name HB2 ))
( segid " " and resid 93 and name HD% )
3.000 1.100 1.100 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.17722E-02 ppm1 3.594 ppm2 7.144 CV 1
ASSI { 1163}
(( segid " " and resid 17 and name HB ))
(( segid " " and resid 38 and name HD1 ))
3.600 1.600 1.600 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.13991E-02 ppm1 3.764 ppm2 7.195 CV 1
ASSI { 1164}
(( segid " " and resid 17 and name HB ))
( segid " " and resid 17 and name HG2%)
2.200 0.600 0.600 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.78529E-02 ppm1 3.765 ppm2 0.894 CV 1
ASSI { 1165}
(( segid " " and resid 64 and name HA1 ))
(( segid " " and resid 64 and name HA2 ))
1.900 0.500 0.500 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.15856E-01 ppm1 3.785 ppm2 4.392 CV 1
ASSI { 1166}
(( segid " " and resid 61 and name HB2 ))
(( segid " " and resid 61 and name HB3 ))
1.800 0.400 0.400 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.21543E-01 ppm1 3.956 ppm2 3.707 CV 1
ASSI { 1168}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HB ))
2.400 0.700 0.700 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.45131E-02 ppm1 4.318 ppm2 1.856 CV 1
ASSI { 1169}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HD1 ))
2.700 2.700 3.300 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.42724E-02 ppm1 4.469 ppm2 6.656 CV 1
ASSI { 1170}
(( segid " " and resid 66 and name HA ))
( segid " " and resid 66 and name HD% )
2.800 1.000 1.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.38211E-02 ppm1 4.894 ppm2 7.262 CV 1
ASSI { 1171}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HB2 ))
2.700 0.900 0.900 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.45733E-02 ppm1 4.894 ppm2 3.569 CV 1
ASSI { 1172}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HB3 ))
2.800 1.000 1.000 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.24822E-02 ppm1 4.896 ppm2 2.817 CV 1
ASSI { 1}
(( segid " " and resid 32 and name HZ3 ))
(( segid " " and resid 28 and name HG12))
3.000 1.200 1.200 peak 1 spectrum 1 weight 0.10000E+01 volume 0.18611E-02 ppm1 5.892 ppm2 0.723 CV 1
ASSI { 3}
(( segid " " and resid 32 and name HZ3 ))
( segid " " and resid 47 and name HE% )
2.800 2.800 3.200 peak 3 spectrum 1 weight 0.10000E+01 volume 0.41593E-02 ppm1 5.895 ppm2 7.630 CV 1
ASSI { 4}
(( segid " " and resid 32 and name HZ3 ))
(( segid " " and resid 38 and name HH2 ))
2.600 2.600 3.400 peak 4 spectrum 1 weight 0.10000E+01 volume 0.34778E-02 ppm1 5.896 ppm2 6.288 CV 1
ASSI { 5}
(( segid " " and resid 32 and name HZ3 ))
(( segid " " and resid 38 and name HZ2 ))
2.600 0.900 0.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.39713E-02 ppm1 5.897 ppm2 7.096 CV 1
ASSI { 6}
(( segid " " and resid 32 and name HZ3 ))
(( segid " " and resid 28 and name HG13))
3.400 1.500 1.500 peak 6 spectrum 1 weight 0.10000E+01 volume 0.26788E-02 ppm1 5.898 ppm2 0.375 CV 1
OR { 6}
(( segid " " and resid 32 and name HZ3 ))
( segid " " and resid 28 and name HG2%)
ASSI { 7}
(( segid " " and resid 32 and name HZ3 ))
( segid " " and resid 111 and name HD1%)
2.800 1.000 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.25379E-02 ppm1 5.899 ppm2 0.894 CV 1
ASSI { 8}
(( segid " " and resid 32 and name HE3 ))
(( segid " " and resid 32 and name HB3 ))
2.800 1.000 1.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.21948E-02 ppm1 5.931 ppm2 2.610 CV 1
OR { 8}
(( segid " " and resid 32 and name HE3 ))
(( segid " " and resid 32 and name HB2 ))
ASSI { 9}
(( segid " " and resid 32 and name HE3 ))
(( segid " " and resid 38 and name HB3 ))
3.200 3.200 2.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.16097E-02 ppm1 5.931 ppm2 3.146 CV 1
OR { 9}
(( segid " " and resid 32 and name HE3 ))
(( segid " " and resid 38 and name HB2 ))
ASSI { 10}
(( segid " " and resid 32 and name HZ2 ))
( segid " " and resid 17 and name HG2%)
3.500 1.600 1.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.21149E-02 ppm1 5.951 ppm2 0.891 CV 1
ASSI { 12}
(( segid " " and resid 32 and name HZ2 ))
(( segid " " and resid 32 and name HH2 ))
2.600 0.900 0.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.30548E-02 ppm1 5.957 ppm2 6.762 CV 1
ASSI { 13}
( segid " " and resid 88 and name HD% )
(( segid " " and resid 88 and name HB2 ))
2.700 0.900 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.41827E-02 ppm1 6.236 ppm2 2.505 CV 1
ASSI { 15}
(( segid " " and resid 38 and name HH2 ))
(( segid " " and resid 28 and name HG13))
3.100 3.100 2.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.22676E-02 ppm1 6.289 ppm2 0.373 CV 1
OR { 15}
(( segid " " and resid 38 and name HH2 ))
( segid " " and resid 28 and name HG2%)
ASSI { 16}
(( segid " " and resid 38 and name HH2 ))
( segid " " and resid 111 and name HD1%)
2.400 0.700 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.64622E-02 ppm1 6.290 ppm2 0.878 CV 1
OR { 16}
(( segid " " and resid 38 and name HH2 ))
(( segid " " and resid 111 and name HG13))
ASSI { 17}
( segid " " and resid 21 and name HE% )
(( segid " " and resid 26 and name HA1 ))
3.000 1.100 1.100 peak 17 spectrum 1 weight 0.10000E+01 volume 0.14475E-02 ppm1 6.370 ppm2 2.075 CV 1
ASSI { 18}
( segid " " and resid 21 and name HE% )
( segid " " and resid 28 and name HD1%)
3.200 1.300 1.300 peak 18 spectrum 1 weight 0.10000E+01 volume 0.14969E-02 ppm1 6.372 ppm2 0.135 CV 1
ASSI { 20}
( segid " " and resid 21 and name HE% )
( segid " " and resid 21 and name HD% )
2.200 0.600 0.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.94227E-02 ppm1 6.375 ppm2 6.814 CV 1
ASSI { 22}
( segid " " and resid 21 and name HE% )
(( segid " " and resid 9 and name HB3 ))
3.200 1.300 1.300 peak 22 spectrum 1 weight 0.10000E+01 volume 0.26083E-02 ppm1 6.377 ppm2 2.460 CV 1
ASSI { 23}
( segid " " and resid 21 and name HE% )
(( segid " " and resid 21 and name HB2 ))
3.000 3.000 3.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.43473E-02 ppm1 6.377 ppm2 3.071 CV 1
ASSI { 25}
( segid " " and resid 21 and name HE% )
(( segid " " and resid 21 and name HB3 ))
3.200 1.300 1.300 peak 25 spectrum 1 weight 0.10000E+01 volume 0.35013E-02 ppm1 6.389 ppm2 2.854 CV 1
ASSI { 27}
( segid " " and resid 71 and name HE% )
(( segid " " and resid 23 and name HE2 ))
2.700 0.900 0.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.27729E-02 ppm1 6.644 ppm2 2.306 CV 1
ASSI { 32}
( segid " " and resid 71 and name HE% )
(( segid " " and resid 23 and name HE3 ))
3.100 1.200 1.200 peak 32 spectrum 1 weight 0.10000E+01 volume 0.12126E-02 ppm1 6.648 ppm2 2.018 CV 1
ASSI { 34}
(( segid " " and resid 32 and name HD1 ))
( segid " " and resid 41 and name HB% )
3.100 1.200 1.200 peak 34 spectrum 1 weight 0.10000E+01 volume 0.23475E-02 ppm1 6.654 ppm2 0.439 CV 1
ASSI { 36}
(( segid " " and resid 32 and name HD1 ))
(( segid " " and resid 32 and name HB2 ))
2.900 1.000 1.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.23170E-02 ppm1 6.655 ppm2 2.603 CV 1
OR { 36}
(( segid " " and resid 32 and name HD1 ))
(( segid " " and resid 32 and name HB3 ))
ASSI { 37}
( segid " " and resid 108 and name HE% )
(( segid " " and resid 105 and name HA ))
3.200 1.300 1.300 peak 37 spectrum 1 weight 0.10000E+01 volume 0.24908E-02 ppm1 6.718 ppm2 4.045 CV 1
ASSI { 38}
( segid " " and resid 108 and name HE% )
( segid " " and resid 100 and name HD1%)
2.800 1.000 1.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.21501E-02 ppm1 6.719 ppm2 0.488 CV 1
ASSI { 40}
( segid " " and resid 108 and name HE% )
( segid " " and resid 59 and name HD2%)
3.400 1.500 1.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.86708E-03 ppm1 6.720 ppm2 0.108 CV 1
ASSI { 42}
( segid " " and resid 71 and name HD% )
(( segid " " and resid 23 and name HE2 ))
3.000 1.100 1.100 peak 42 spectrum 1 weight 0.10000E+01 volume 0.15650E-02 ppm1 6.721 ppm2 2.309 CV 1
ASSI { 44}
( segid " " and resid 108 and name HE% )
(( segid " " and resid 104 and name HB2 ))
3.000 1.100 1.100 peak 44 spectrum 1 weight 0.10000E+01 volume 0.35248E-02 ppm1 6.723 ppm2 2.210 CV 1
ASSI { 46}
( segid " " and resid 108 and name HE% )
( segid " " and resid 108 and name HD% )
2.100 0.500 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.12642E-01 ppm1 6.723 ppm2 7.071 CV 1
ASSI { 48}
( segid " " and resid 71 and name HD% )
(( segid " " and resid 73 and name HG2 ))
3.000 1.100 1.100 peak 48 spectrum 1 weight 0.10000E+01 volume 0.15932E-02 ppm1 6.724 ppm2 2.611 CV 1
ASSI { 49}
( segid " " and resid 71 and name HD% )
(( segid " " and resid 23 and name HE3 ))
3.900 1.900 1.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.63917E-03 ppm1 6.724 ppm2 2.005 CV 1
ASSI { 50}
( segid " " and resid 108 and name HE% )
(( segid " " and resid 59 and name HG ))
3.600 1.600 1.600 peak 50 spectrum 1 weight 0.10000E+01 volume 0.76607E-03 ppm1 6.725 ppm2 0.256 CV 1
ASSI { 51}
( segid " " and resid 71 and name HD% )
( segid " " and resid 20 and name HG1%)
2.800 1.000 1.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.23381E-02 ppm1 6.725 ppm2 1.101 CV 1
ASSI { 52}
( segid " " and resid 71 and name HD% )
(( segid " " and resid 23 and name HB3 ))
2.800 1.000 1.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.30548E-02 ppm1 6.728 ppm2 0.572 CV 1
ASSI { 53}
(( segid " " and resid 32 and name HH2 ))
( segid " " and resid 28 and name HD1%)
3.500 1.500 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.15932E-02 ppm1 6.752 ppm2 0.146 CV 1
ASSI { 54}
(( segid " " and resid 32 and name HH2 ))
(( segid " " and resid 20 and name HB ))
2.700 0.900 0.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.25379E-02 ppm1 6.753 ppm2 2.016 CV 1
ASSI { 55}
(( segid " " and resid 32 and name HH2 ))
( segid " " and resid 69 and name HG2%)
3.600 1.600 1.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.96346E-03 ppm1 6.753 ppm2 -0.139 CV 1
ASSI { 57}
(( segid " " and resid 32 and name HH2 ))
( segid " " and resid 20 and name HG1%)
2.400 0.700 0.700 peak 57 spectrum 1 weight 0.10000E+01 volume 0.49347E-02 ppm1 6.755 ppm2 1.081 CV 1
ASSI { 58}
(( segid " " and resid 32 and name HH2 ))
(( segid " " and resid 17 and name HA ))
3.500 1.500 1.500 peak 58 spectrum 1 weight 0.10000E+01 volume 0.12266E-02 ppm1 6.755 ppm2 3.262 CV 1
ASSI { 60}
(( segid " " and resid 32 and name HH2 ))
(( segid " " and resid 21 and name HB3 ))
3.900 1.900 1.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.17953E-02 ppm1 6.764 ppm2 2.887 CV 1
ASSI { 65}
( segid " " and resid 21 and name HD% )
( segid " " and resid 28 and name HD1%)
2.700 0.900 0.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.36893E-02 ppm1 6.813 ppm2 0.142 CV 1
ASSI { 66}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 21 and name HB2 ))
2.700 0.900 0.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.31018E-02 ppm1 6.814 ppm2 3.054 CV 1
ASSI { 67}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 28 and name HG12))
2.800 2.800 3.200 peak 67 spectrum 1 weight 0.10000E+01 volume 0.31253E-02 ppm1 6.814 ppm2 0.726 CV 1
ASSI { 68}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 21 and name HA ))
2.600 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.39008E-02 ppm1 6.815 ppm2 3.537 CV 1
ASSI { 69}
(( segid " " and resid 38 and name HZ3 ))
(( segid " " and resid 58 and name HB ))
2.600 0.800 0.800 peak 69 spectrum 1 weight 0.10000E+01 volume 0.19951E-02 ppm1 6.828 ppm2 2.035 CV 1
ASSI { 72}
(( segid " " and resid 38 and name HZ3 ))
( segid " " and resid 28 and name HD1%)
3.300 1.300 1.300 peak 72 spectrum 1 weight 0.10000E+01 volume 0.15885E-02 ppm1 6.835 ppm2 0.154 CV 1
ASSI { 73}
( segid " " and resid 93 and name HE% )
( segid " " and resid 13 and name HB% )
3.300 1.300 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.12760E-02 ppm1 6.930 ppm2 0.852 CV 1
ASSI { 74}
( segid " " and resid 93 and name HE% )
( segid " " and resid 93 and name HD% )
2.300 0.700 0.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.75903E-02 ppm1 6.935 ppm2 7.147 CV 1
ASSI { 75}
( segid " " and resid 108 and name HD% )
( segid " " and resid 59 and name HD2%)
3.100 1.200 1.200 peak 75 spectrum 1 weight 0.10000E+01 volume 0.14170E-02 ppm1 7.066 ppm2 0.108 CV 1
ASSI { 84}
(( segid " " and resid 38 and name HZ2 ))
(( segid " " and resid 71 and name HB2 ))
4.800 2.900 1.200 peak 84 spectrum 1 weight 0.10000E+01 volume 0.59216E-03 ppm1 7.089 ppm2 3.226 CV 1
ASSI { 85}
(( segid " " and resid 38 and name HZ2 ))
(( segid " " and resid 58 and name HG12))
3.800 1.800 1.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.11444E-02 ppm1 7.089 ppm2 1.848 CV 1
ASSI { 86}
(( segid " " and resid 38 and name HZ2 ))
(( segid " " and resid 32 and name HZ3 ))
2.900 1.000 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.20491E-02 ppm1 7.094 ppm2 5.901 CV 1
OR { 86}
(( segid " " and resid 38 and name HZ2 ))
(( segid " " and resid 32 and name HE3 ))
ASSI { 87}
(( segid " " and resid 38 and name HZ2 ))
( segid " " and resid 47 and name HE% )
3.100 3.100 2.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.33133E-02 ppm1 7.095 ppm2 7.633 CV 1
ASSI { 90}
( segid " " and resid 93 and name HD% )
(( segid " " and resid 92 and name HB3 ))
3.300 1.300 1.300 peak 90 spectrum 1 weight 0.10000E+01 volume 0.23969E-02 ppm1 7.146 ppm2 1.788 CV 1
ASSI { 93}
(( segid " " and resid 38 and name HD1 ))
(( segid " " and resid 37 and name HB3 ))
2.300 2.300 3.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.78016E-02 ppm1 7.181 ppm2 2.790 CV 1
ASSI { 94}
(( segid " " and resid 38 and name HD1 ))
(( segid " " and resid 38 and name HB2 ))
3.100 1.200 1.200 peak 94 spectrum 1 weight 0.10000E+01 volume 0.15180E-02 ppm1 7.185 ppm2 3.157 CV 1
OR { 94}
(( segid " " and resid 38 and name HD1 ))
(( segid " " and resid 38 and name HB3 ))
ASSI { 96}
(( segid " " and resid 38 and name HD1 ))
(( segid " " and resid 32 and name HB2 ))
3.200 1.300 1.300 peak 96 spectrum 1 weight 0.10000E+01 volume 0.12501E-02 ppm1 7.187 ppm2 2.593 CV 1
OR { 96}
(( segid " " and resid 38 and name HD1 ))
(( segid " " and resid 32 and name HB3 ))
ASSI { 98}
(( segid " " and resid 38 and name HD1 ))
(( segid " " and resid 38 and name HA ))
2.900 1.000 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.21031E-02 ppm1 7.188 ppm2 4.192 CV 1
ASSI { 99}
(( segid " " and resid 38 and name HD1 ))
( segid " " and resid 41 and name HB% )
2.900 2.900 3.100 peak 99 spectrum 1 weight 0.10000E+01 volume 0.10105E-02 ppm1 7.188 ppm2 0.444 CV 1
ASSI { 100}
(( segid " " and resid 18 and name HZ3 ))
(( segid " " and resid 14 and name HA1 ))
2.800 1.000 1.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.31723E-02 ppm1 7.221 ppm2 2.218 CV 1
OR { 100}
(( segid " " and resid 18 and name HZ3 ))
(( segid " " and resid 14 and name HA2 ))
ASSI { 101}
(( segid " " and resid 18 and name HZ3 ))
(( segid " " and resid 18 and name HE3 ))
2.600 0.900 0.900 peak 101 spectrum 1 weight 0.10000E+01 volume 0.34308E-02 ppm1 7.221 ppm2 7.684 CV 1
ASSI { 102}
(( segid " " and resid 18 and name HZ3 ))
(( segid " " and resid 18 and name HH2 ))
2.600 0.800 0.800 peak 102 spectrum 1 weight 0.10000E+01 volume 0.43942E-02 ppm1 7.222 ppm2 7.534 CV 1
ASSI { 105}
( segid " " and resid 19 and name HD% )
( segid " " and resid 19 and name HE% )
2.300 0.700 0.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.63683E-02 ppm1 7.227 ppm2 6.674 CV 1
ASSI { 106}
( segid " " and resid 19 and name HD% )
( segid " " and resid 20 and name HG2%)
2.700 0.900 0.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.33603E-02 ppm1 7.228 ppm2 1.004 CV 1
ASSI { 108}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 19 and name HB2 ))
2.300 0.700 0.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.70966E-02 ppm1 7.235 ppm2 3.996 CV 1
ASSI { 110}
( segid " " and resid 66 and name HD% )
(( segid " " and resid 66 and name HB2 ))
2.700 0.900 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.28668E-02 ppm1 7.265 ppm2 3.572 CV 1
ASSI { 111}
(( segid " " and resid 38 and name HE3 ))
(( segid " " and resid 38 and name HZ3 ))
2.100 0.500 0.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.10551E-01 ppm1 7.305 ppm2 6.833 CV 1
ASSI { 115}
(( segid " " and resid 38 and name HE3 ))
( segid " " and resid 111 and name HD1%)
3.000 1.100 1.100 peak 115 spectrum 1 weight 0.10000E+01 volume 0.20538E-02 ppm1 7.313 ppm2 0.850 CV 1
OR { 115}
(( segid " " and resid 38 and name HE3 ))
(( segid " " and resid 111 and name HG13))
ASSI { 116}
(( segid " " and resid 38 and name HE3 ))
( segid " " and resid 28 and name HD1%)
3.400 3.400 2.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.16285E-02 ppm1 7.333 ppm2 0.159 CV 1
ASSI { 117}
(( segid " " and resid 18 and name HD1 ))
(( segid " " and resid 18 and name HB3 ))
3.000 1.200 1.200 peak 117 spectrum 1 weight 0.10000E+01 volume 0.34308E-02 ppm1 7.345 ppm2 3.028 CV 1
ASSI { 118}
(( segid " " and resid 18 and name HD1 ))
(( segid " " and resid 18 and name HB2 ))
3.200 1.300 1.300 peak 118 spectrum 1 weight 0.10000E+01 volume 0.77311E-03 ppm1 7.345 ppm2 3.455 CV 1
ASSI { 119}
(( segid " " and resid 18 and name HD1 ))
(( segid " " and resid 10 and name HB2 ))
2.800 2.800 3.200 peak 119 spectrum 1 weight 0.10000E+01 volume 0.10950E-02 ppm1 7.346 ppm2 1.477 CV 1
ASSI { 120}
(( segid " " and resid 18 and name HD1 ))
( segid " " and resid 13 and name HB% )
4.000 2.000 2.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.53342E-03 ppm1 7.346 ppm2 0.851 CV 1
ASSI { 125}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 18 and name HB3 ))
2.900 1.000 1.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.13253E-02 ppm1 7.681 ppm2 3.038 CV 1
ASSI { 127}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 14 and name HA1 ))
3.000 1.100 1.100 peak 127 spectrum 1 weight 0.10000E+01 volume 0.15932E-02 ppm1 7.682 ppm2 2.229 CV 1
OR { 127}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 14 and name HA2 ))
ASSI { 131}
( segid " " and resid 47 and name HD% )
( segid " " and resid 45 and name HB% )
3.100 1.200 1.200 peak 131 spectrum 1 weight 0.10000E+01 volume 0.13864E-02 ppm1 7.704 ppm2 1.852 CV 1
ASSI { 132}
( segid " " and resid 47 and name HD% )
(( segid " " and resid 42 and name HA ))
3.300 1.400 1.400 peak 132 spectrum 1 weight 0.10000E+01 volume 0.13770E-02 ppm1 7.704 ppm2 3.225 CV 1
ASSI { 135}
( segid " " and resid 47 and name HD% )
( segid " " and resid 111 and name HG2%)
3.200 1.300 1.300 peak 135 spectrum 1 weight 0.10000E+01 volume 0.25613E-02 ppm1 7.716 ppm2 0.738 CV 1
ASSI { 136}
(( segid " " and resid 18 and name HZ2 ))
( segid " " and resid 13 and name HB% )
2.900 2.900 3.100 peak 136 spectrum 1 weight 0.10000E+01 volume 0.83186E-03 ppm1 7.725 ppm2 0.844 CV 1
ASSI { 137}
(( segid " " and resid 18 and name HZ2 ))
(( segid " " and resid 18 and name HH2 ))
2.700 0.900 0.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.37363E-02 ppm1 7.726 ppm2 7.538 CV 1
ASSI { 1}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 55 and name HA ))
4.300 2.300 1.700 peak 1 spectrum 1 weight 0.10000E+01 volume 0.46683E-03 ppm1 5.998 ppm2 3.509 CV 1
OR { 1}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HD3 ))
ASSI { 9}
(( segid " " and resid 54 and name HN ))
( segid " " and resid 72 and name HG2%)
3.000 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.21482E-02 ppm1 6.003 ppm2 0.825 CV 1
OR { 9}
(( segid " " and resid 54 and name HN ))
( segid " " and resid 81 and name HG1%)
ASSI { 18}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 55 and name HN ))
5.000 3.200 1.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.20520E-03 ppm1 6.008 ppm2 8.852 CV 1
OR { 18}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 73 and name HN ))
ASSI { 19}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 70 and name HB% )
4.400 2.400 1.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.30139E-03 ppm1 6.036 ppm2 1.335 CV 1
OR { 19}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 59 and name HB2 ))
ASSI { 25}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HB2 ))
3.800 1.800 1.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.13787E-02 ppm1 6.042 ppm2 3.190 CV 1
OR { 25}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 17 and name HA ))
ASSI { 33}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 21 and name HB3 ))
4.900 3.000 1.100 peak 33 spectrum 1 weight 0.10000E+01 volume 0.80795E-04 ppm1 6.128 ppm2 2.929 CV 1
OR { 33}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 11 and name HB3 ))
ASSI { 34}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 21 and name HN ))
4.500 2.500 1.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.34627E-03 ppm1 6.135 ppm2 8.357 CV 1
OR { 34}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 12 and name HN ))
ASSI { 35}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 21 and name HB2 ))
4.000 2.000 2.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.58801E-03 ppm1 6.139 ppm2 3.036 CV 1
OR { 35}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 18 and name HB3 ))
ASSI { 36}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 22 and name HB3 ))
4.800 2.900 1.200 peak 36 spectrum 1 weight 0.10000E+01 volume 0.27189E-03 ppm1 6.140 ppm2 2.107 CV 1
OR { 36}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 26 and name HA1 ))
ASSI { 41}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 18 and name HB2 ))
3.300 1.400 1.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.21418E-02 ppm1 6.154 ppm2 3.446 CV 1
OR { 41}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 9 and name HA ))
ASSI { 45}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 26 and name HA1 ))
3.500 1.500 1.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.11157E-02 ppm1 6.330 ppm2 2.125 CV 1
OR { 45}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HG3 ))
ASSI { 61}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 17 and name HG2%)
3.900 1.900 1.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.10196E-02 ppm1 6.635 ppm2 0.944 CV 1
OR { 61}
(( segid " " and resid 32 and name HD1 ))
( segid " " and resid 17 and name HG2%)
ASSI { 64}
(( segid " " and resid 32 and name HD1 ))
(( segid " " and resid 38 and name HD1 ))
4.000 2.000 2.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.63546E-03 ppm1 6.636 ppm2 7.169 CV 1
OR { 64}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 15 and name HN ))
ASSI { 70}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB ))
3.800 1.800 1.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.11735E-02 ppm1 6.638 ppm2 3.821 CV 1
OR { 70}
(( segid " " and resid 32 and name HD1 ))
(( segid " " and resid 17 and name HB ))
ASSI { 83}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA1 ))
2.600 0.900 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.45785E-02 ppm1 6.645 ppm2 2.132 CV 1
OR { 83}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HG3 ))
ASSI { 87}
(( segid " " and resid 87 and name HD22))
(( segid " " and resid 15 and name HG3 ))
4.600 2.600 1.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.17378E-03 ppm1 6.756 ppm2 2.069 CV 1
OR { 87}
(( segid " " and resid 87 and name HD22))
(( segid " " and resid 92 and name HG2 ))
OR { 87}
(( segid " " and resid 87 and name HD22))
(( segid " " and resid 86 and name HG3 ))
ASSI { 97}
(( segid " " and resid 15 and name HE22))
(( segid " " and resid 12 and name HB ))
6.000 6.000 0.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.31036E-04 ppm1 6.827 ppm2 3.679 CV 1
OR { 97}
(( segid " " and resid 15 and name HE22))
(( segid " " and resid 89 and name HB2 ))
ASSI { 101}
(( segid " " and resid 15 and name HE22))
(( segid " " and resid 15 and name HG3 ))
3.700 1.700 1.700 peak 101 spectrum 1 weight 0.10000E+01 volume 0.15069E-02 ppm1 6.836 ppm2 2.050 CV 1
OR { 101}
(( segid " " and resid 109 and name HD22))
(( segid " " and resid 109 and name HB3 ))
ASSI { 126}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HB2 ))
3.600 1.600 1.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.16031E-02 ppm1 6.882 ppm2 1.119 CV 1
OR { 126}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 20 and name HG1%)
OR { 126}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HD2 ))
ASSI { 131}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
3.100 1.200 1.200 peak 131 spectrum 1 weight 0.10000E+01 volume 0.34371E-02 ppm1 6.906 ppm2 3.570 CV 1
OR { 131}
(( segid " " and resid 37 and name HD22))
(( segid " " and resid 37 and name HB2 ))
ASSI { 136}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 65 and name HB3 ))
5.500 3.800 0.500 peak 136 spectrum 1 weight 0.10000E+01 volume 0.34114E-04 ppm1 6.938 ppm2 0.960 CV 1
OR { 136}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 17 and name HG2%)
ASSI { 147}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 18 and name HB2 ))
3.400 1.500 1.500 peak 147 spectrum 1 weight 0.10000E+01 volume 0.13017E-02 ppm1 6.985 ppm2 3.436 CV 1
OR { 147}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 9 and name HA ))
ASSI { 150}
(( segid " " and resid 107 and name HD22))
(( segid " " and resid 60 and name HG2 ))
3.000 3.000 3.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.21482E-02 ppm1 6.987 ppm2 2.514 CV 1
OR { 150}
(( segid " " and resid 107 and name HD22))
(( segid " " and resid 68 and name HB3 ))
ASSI { 151}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 21 and name HB2 ))
3.700 1.800 1.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.14877E-02 ppm1 6.987 ppm2 3.045 CV 1
OR { 151}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 18 and name HB3 ))
ASSI { 168}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 104 and name HA ))
4.000 2.000 2.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.49055E-03 ppm1 7.020 ppm2 4.235 CV 1
OR { 168}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 51 and name HB2 ))
ASSI { 179}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA ))
3.000 1.200 1.200 peak 179 spectrum 1 weight 0.10000E+01 volume 0.21418E-02 ppm1 7.068 ppm2 4.462 CV 1
OR { 179}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 32 and name HA ))
ASSI { 193}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 60 and name HG3 ))
3.100 1.200 1.200 peak 193 spectrum 1 weight 0.10000E+01 volume 0.26291E-02 ppm1 7.145 ppm2 2.367 CV 1
OR { 193}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 43 and name HG3 ))
ASSI { 194}
(( segid " " and resid 39 and name HN ))
( segid " " and resid 42 and name HB% )
3.400 1.400 1.400 peak 194 spectrum 1 weight 0.10000E+01 volume 0.14813E-02 ppm1 7.145 ppm2 0.883 CV 1
OR { 194}
(( segid " " and resid 39 and name HN ))
( segid " " and resid 111 and name HD1%)
ASSI { 196}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 42 and name HN ))
4.200 2.200 1.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.42066E-03 ppm1 7.145 ppm2 7.682 CV 1
OR { 196}
(( segid " " and resid 39 and name HN ))
( segid " " and resid 47 and name HD% )
ASSI { 199}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 12 and name HN ))
4.800 2.900 1.200 peak 199 spectrum 1 weight 0.10000E+01 volume 0.32255E-03 ppm1 7.158 ppm2 8.336 CV 1
OR { 199}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 21 and name HN ))
ASSI { 205}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
2.900 1.100 1.100 peak 205 spectrum 1 weight 0.10000E+01 volume 0.22251E-02 ppm1 7.163 ppm2 4.417 CV 1
OR { 205}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HA ))
ASSI { 208}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA1 ))
2.300 0.600 0.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.89133E-02 ppm1 7.163 ppm2 2.230 CV 1
OR { 208}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB3 ))
OR { 208}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG2 ))
ASSI { 209}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HE3 ))
4.100 2.100 1.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.66691E-03 ppm1 7.164 ppm2 7.692 CV 1
OR { 209}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 19 and name HN ))
ASSI { 210}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 13 and name HA ))
3.700 1.700 1.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.87849E-03 ppm1 7.164 ppm2 3.677 CV 1
OR { 210}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 12 and name HB ))
ASSI { 218}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB3 ))
3.600 1.600 1.600 peak 218 spectrum 1 weight 0.10000E+01 volume 0.12120E-02 ppm1 7.303 ppm2 3.455 CV 1
OR { 218}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HB2 ))
ASSI { 219}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HA ))
4.000 2.000 2.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.91055E-03 ppm1 7.304 ppm2 4.411 CV 1
OR { 219}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HA ))
ASSI { 222}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.200 1.300 1.300 peak 222 spectrum 1 weight 0.10000E+01 volume 0.15390E-02 ppm1 7.305 ppm2 3.825 CV 1
OR { 222}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB ))
ASSI { 228}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 88 and name HD% )
4.800 2.900 1.200 peak 228 spectrum 1 weight 0.10000E+01 volume 0.27317E-03 ppm1 7.307 ppm2 6.173 CV 1
OR { 228}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 9 and name HD22))
ASSI { 231}
(( segid " " and resid 76 and name HD22))
(( segid " " and resid 76 and name HN ))
4.500 2.500 1.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.37064E-03 ppm1 7.308 ppm2 9.048 CV 1
OR { 231}
(( segid " " and resid 76 and name HD22))
(( segid " " and resid 82 and name HN ))
ASSI { 242}
(( segid " " and resid 107 and name HD21))
(( segid " " and resid 60 and name HG2 ))
2.800 2.800 3.200 peak 242 spectrum 1 weight 0.10000E+01 volume 0.35076E-02 ppm1 7.406 ppm2 2.508 CV 1
OR { 242}
(( segid " " and resid 107 and name HD21))
(( segid " " and resid 68 and name HB3 ))
ASSI { 257}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 86 and name HB2 ))
4.700 2.700 1.300 peak 257 spectrum 1 weight 0.10000E+01 volume 0.58031E-03 ppm1 7.448 ppm2 1.657 CV 1
OR { 257}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 69 and name HB ))
ASSI { 284}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 15 and name HB3 ))
4.200 2.200 1.800 peak 284 spectrum 1 weight 0.10000E+01 volume 0.31485E-03 ppm1 7.551 ppm2 2.223 CV 1
OR { 284}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 15 and name HG2 ))
OR { 284}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 14 and name HA2 ))
OR { 284}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 86 and name HG2 ))
ASSI { 286}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HA2 ))
2.800 1.000 1.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.30908E-02 ppm1 7.556 ppm2 3.887 CV 1
OR { 286}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 103 and name HB3 ))
OR { 286}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 103 and name HB2 ))
ASSI { 289}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 105 and name HN ))
2.200 0.600 0.600 peak 289 spectrum 1 weight 0.10000E+01 volume 0.11735E-01 ppm1 7.557 ppm2 8.286 CV 1
OR { 289}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 47 and name HN ))
ASSI { 293}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 101 and name HN ))
3.600 1.600 1.600 peak 293 spectrum 1 weight 0.10000E+01 volume 0.82078E-03 ppm1 7.558 ppm2 8.864 CV 1
OR { 293}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 102 and name HN ))
ASSI { 296}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 87 and name HB2 ))
3.700 1.700 1.700 peak 296 spectrum 1 weight 0.10000E+01 volume 0.11094E-02 ppm1 7.560 ppm2 3.533 CV 1
OR { 296}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 21 and name HA ))
ASSI { 299}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 22 and name HB3 ))
2.900 2.900 3.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.35076E-02 ppm1 7.565 ppm2 2.071 CV 1
OR { 299}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 26 and name HA1 ))
OR { 299}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 86 and name HG3 ))
ASSI { 302}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
3.100 1.200 1.200 peak 302 spectrum 1 weight 0.10000E+01 volume 0.22764E-02 ppm1 7.586 ppm2 3.579 CV 1
OR { 302}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 21 and name HA ))
ASSI { 307}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 87 and name HB3 ))
2.900 2.900 3.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.15582E-02 ppm1 7.589 ppm2 2.477 CV 1
OR { 307}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB ))
ASSI { 310}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA ))
2.800 1.000 1.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.26099E-02 ppm1 7.590 ppm2 4.401 CV 1
OR { 310}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 15 and name HA ))
ASSI { 313}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HE2 ))
4.700 2.800 1.300 peak 313 spectrum 1 weight 0.10000E+01 volume 0.35397E-03 ppm1 7.591 ppm2 2.327 CV 1
OR { 313}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 27 and name HB2 ))
ASSI { 314}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 20 and name HA ))
4.300 2.300 1.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.30395E-03 ppm1 7.592 ppm2 3.049 CV 1
OR { 314}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 21 and name HB2 ))
ASSI { 325}
(( segid " " and resid 76 and name HD21))
(( segid " " and resid 82 and name HB ))
4.700 2.700 1.300 peak 325 spectrum 1 weight 0.10000E+01 volume 0.43990E-03 ppm1 7.664 ppm2 4.122 CV 1
OR { 325}
(( segid " " and resid 76 and name HD21))
(( segid " " and resid 101 and name HA ))
ASSI { 330}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HD% )
3.300 1.300 1.300 peak 330 spectrum 1 weight 0.10000E+01 volume 0.34371E-02 ppm1 7.676 ppm2 7.286 CV 1
OR { 330}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 17 and name HN ))
ASSI { 343}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 14 and name HA1 ))
4.000 2.000 2.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.76951E-03 ppm1 7.678 ppm2 2.253 CV 1
OR { 343}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 15 and name HB3 ))
ASSI { 355}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA ))
3.300 1.300 1.300 peak 355 spectrum 1 weight 0.10000E+01 volume 0.18083E-02 ppm1 7.679 ppm2 4.622 CV 1
OR { 355}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HA ))
ASSI { 362}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HB ))
4.000 2.000 2.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.78873E-03 ppm1 7.680 ppm2 2.056 CV 1
OR { 362}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 86 and name HG3 ))
ASSI { 377}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 47 and name HB3 ))
5.300 3.500 0.700 peak 377 spectrum 1 weight 0.10000E+01 volume 0.25842E-03 ppm1 7.698 ppm2 2.680 CV 1
OR { 377}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 29 and name HA1 ))
ASSI { 381}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 43 and name HA ))
4.300 2.300 1.700 peak 381 spectrum 1 weight 0.10000E+01 volume 0.42514E-03 ppm1 7.705 ppm2 4.334 CV 1
OR { 381}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 111 and name HA ))
ASSI { 392}
(( segid " " and resid 18 and name HE3 ))
(( segid " " and resid 22 and name HB3 ))
5.500 3.700 0.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.11927E-03 ppm1 7.710 ppm2 2.117 CV 1
OR { 392}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 43 and name HB2 ))
ASSI { 405}
(( segid " " and resid 36 and name HD21))
(( segid " " and resid 36 and name HA ))
4.300 2.300 1.700 peak 405 spectrum 1 weight 0.10000E+01 volume 0.46298E-03 ppm1 7.748 ppm2 4.162 CV 1
OR { 405}
(( segid " " and resid 36 and name HD21))
(( segid " " and resid 67 and name HA2 ))
ASSI { 411}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HA ))
2.500 0.800 0.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.61176E-02 ppm1 7.751 ppm2 4.465 CV 1
OR { 411}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA ))
ASSI { 412}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB3 ))
2.300 0.600 0.600 peak 412 spectrum 1 weight 0.10000E+01 volume 0.91055E-02 ppm1 7.751 ppm2 2.641 CV 1
OR { 412}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB2 ))
OR { 412}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 29 and name HA1 ))
ASSI { 428}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB2 ))
3.600 1.600 1.600 peak 428 spectrum 1 weight 0.10000E+01 volume 0.22059E-02 ppm1 7.815 ppm2 2.322 CV 1
OR { 428}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HE2 ))
ASSI { 443}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 106 and name HA2 ))
3.200 1.300 1.300 peak 443 spectrum 1 weight 0.10000E+01 volume 0.19494E-02 ppm1 7.826 ppm2 4.645 CV 1
OR { 443}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 108 and name HA ))
ASSI { 448}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA1 ))
3.100 1.200 1.200 peak 448 spectrum 1 weight 0.10000E+01 volume 0.23213E-02 ppm1 7.866 ppm2 3.559 CV 1
OR { 448}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 21 and name HA ))
ASSI { 466}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HN ))
2.700 0.900 0.900 peak 466 spectrum 1 weight 0.10000E+01 volume 0.43541E-02 ppm1 7.875 ppm2 7.718 CV 1
OR { 466}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 47 and name HD% )
ASSI { 470}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 41 and name HN ))
3.600 1.600 1.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.10004E-02 ppm1 7.876 ppm2 8.266 CV 1
OR { 470}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 47 and name HN ))
ASSI { 471}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 39 and name HA ))
3.600 1.600 1.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.88494E-03 ppm1 7.876 ppm2 3.788 CV 1
OR { 471}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 44 and name HA1 ))
ASSI { 478}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 72 and name HG2%)
3.400 1.400 1.400 peak 478 spectrum 1 weight 0.10000E+01 volume 0.18660E-02 ppm1 7.901 ppm2 0.837 CV 1
OR { 478}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 81 and name HG1%)
ASSI { 487}
(( segid " " and resid 109 and name HN ))
( segid " " and resid 59 and name HD1%)
3.300 3.300 2.700 peak 487 spectrum 1 weight 0.10000E+01 volume 0.73101E-03 ppm1 7.902 ppm2 0.933 CV 1
OR { 487}
(( segid " " and resid 109 and name HN ))
( segid " " and resid 49 and name HG1%)
ASSI { 492}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 108 and name HB3 ))
3.100 1.200 1.200 peak 492 spectrum 1 weight 0.10000E+01 volume 0.13530E-02 ppm1 7.905 ppm2 2.362 CV 1
OR { 492}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 60 and name HG3 ))
ASSI { 500}
(( segid " " and resid 109 and name HN ))
( segid " " and resid 49 and name HG2%)
4.100 2.100 1.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.47709E-03 ppm1 7.906 ppm2 0.757 CV 1
OR { 500}
(( segid " " and resid 109 and name HN ))
( segid " " and resid 111 and name HG2%)
ASSI { 504}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 59 and name HA ))
4.900 3.000 1.100 peak 504 spectrum 1 weight 0.10000E+01 volume 0.18660E-03 ppm1 7.909 ppm2 4.222 CV 1
OR { 504}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 51 and name HB2 ))
ASSI { 508}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 75 and name HG2%)
4.200 2.200 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.37321E-03 ppm1 7.931 ppm2 0.829 CV 1
OR { 508}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 81 and name HG1%)
ASSI { 510}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 81 and name HN ))
3.900 1.900 1.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.85927E-03 ppm1 7.933 ppm2 8.834 CV 1
OR { 510}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 102 and name HN ))
ASSI { 535}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 87 and name HB3 ))
3.400 1.400 1.400 peak 535 spectrum 1 weight 0.10000E+01 volume 0.48927E-03 ppm1 7.981 ppm2 2.433 CV 1
OR { 535}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 88 and name HB3 ))
ASSI { 545}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 42 and name HN ))
3.600 1.600 1.600 peak 545 spectrum 1 weight 0.10000E+01 volume 0.10131E-02 ppm1 8.008 ppm2 7.694 CV 1
OR { 545}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 46 and name HN ))
ASSI { 565}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HA ))
3.100 1.200 1.200 peak 565 spectrum 1 weight 0.10000E+01 volume 0.20071E-02 ppm1 8.053 ppm2 3.752 CV 1
OR { 565}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 61 and name HB3 ))
ASSI { 566}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 111 and name HG2%)
5.000 3.100 1.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.18211E-03 ppm1 8.057 ppm2 0.746 CV 1
OR { 566}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 49 and name HG2%)
ASSI { 567}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 41 and name HN ))
2.400 0.700 0.700 peak 567 spectrum 1 weight 0.10000E+01 volume 0.71818E-02 ppm1 8.058 ppm2 8.233 CV 1
OR { 567}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 64 and name HN ))
ASSI { 569}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HA ))
3.400 1.400 1.400 peak 569 spectrum 1 weight 0.10000E+01 volume 0.10901E-02 ppm1 8.058 ppm2 4.314 CV 1
OR { 569}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HA ))
ASSI { 580}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 15 and name HB3 ))
5.400 3.700 0.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.22956E-03 ppm1 8.156 ppm2 2.235 CV 1
OR { 580}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HA1 ))
ASSI { 585}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 15 and name HN ))
3.800 1.800 1.800 peak 585 spectrum 1 weight 0.10000E+01 volume 0.62651E-03 ppm1 8.158 ppm2 7.190 CV 1
OR { 585}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 11 and name HD% )
ASSI { 594}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 104 and name HN ))
4.400 2.400 1.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.22187E-03 ppm1 8.178 ppm2 7.565 CV 1
OR { 594}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 87 and name HD21))
ASSI { 602}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HN ))
2.300 0.600 0.600 peak 602 spectrum 1 weight 0.10000E+01 volume 0.10131E-01 ppm1 8.181 ppm2 7.954 CV 1
OR { 602}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 80 and name HN ))
ASSI { 614}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB2 ))
2.900 1.100 1.100 peak 614 spectrum 1 weight 0.10000E+01 volume 0.43413E-02 ppm1 8.202 ppm2 2.009 CV 1
OR { 614}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB3 ))
OR { 614}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 58 and name HB ))
ASSI { 615}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 38 and name HZ3 ))
6.000 6.000 0.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.86566E-05 ppm1 8.217 ppm2 6.831 CV 1
OR { 615}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 36 and name HD22))
ASSI { 627}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 70 and name HB% )
4.300 2.300 1.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.43733E-03 ppm1 8.226 ppm2 1.345 CV 1
OR { 627}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 59 and name HB2 ))
ASSI { 631}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 57 and name HB% )
4.100 2.100 1.900 peak 631 spectrum 1 weight 0.10000E+01 volume 0.47388E-03 ppm1 8.228 ppm2 1.092 CV 1
OR { 631}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 20 and name HG1%)
ASSI { 632}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 58 and name HG13))
3.000 1.200 1.200 peak 632 spectrum 1 weight 0.10000E+01 volume 0.33729E-02 ppm1 8.228 ppm2 0.994 CV 1
OR { 632}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 59 and name HB3 ))
OR { 632}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 20 and name HG2%)
ASSI { 636}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HB3 ))
3.700 1.700 1.700 peak 636 spectrum 1 weight 0.10000E+01 volume 0.11094E-02 ppm1 8.229 ppm2 2.495 CV 1
OR { 636}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 73 and name HG3 ))
ASSI { 640}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 42 and name HB% )
4.200 2.200 1.800 peak 640 spectrum 1 weight 0.10000E+01 volume 0.55017E-03 ppm1 8.238 ppm2 0.908 CV 1
OR { 640}
(( segid " " and resid 38 and name HN ))
( segid " " and resid 17 and name HG2%)
ASSI { 648}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 39 and name HN ))
2.600 0.900 0.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.49312E-02 ppm1 8.242 ppm2 7.161 CV 1
OR { 648}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HD1 ))
ASSI { 692}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 4 and name HD1%)
3.900 1.900 1.900 peak 692 spectrum 1 weight 0.10000E+01 volume 0.23149E-03 ppm1 8.279 ppm2 0.819 CV 1
OR { 692}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 13 and name HB% )
ASSI { 703}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
4.400 2.500 1.600 peak 703 spectrum 1 weight 0.10000E+01 volume 0.37898E-03 ppm1 8.283 ppm2 6.856 CV 1
OR { 703}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 21 and name HD% )
ASSI { 704}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 102 and name HN ))
3.600 1.600 1.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.82078E-03 ppm1 8.285 ppm2 8.855 CV 1
OR { 704}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 101 and name HN ))
ASSI { 738}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB2 ))
2.200 0.600 0.600 peak 738 spectrum 1 weight 0.10000E+01 volume 0.14108E-01 ppm1 8.336 ppm2 3.527 CV 1
OR { 738}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
ASSI { 741}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HA ))
2.300 0.700 0.700 peak 741 spectrum 1 weight 0.10000E+01 volume 0.98754E-02 ppm1 8.343 ppm2 4.631 CV 1
OR { 741}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
ASSI { 742}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 111 and name HN ))
3.100 1.200 1.200 peak 742 spectrum 1 weight 0.10000E+01 volume 0.26291E-02 ppm1 8.343 ppm2 9.322 CV 1
OR { 742}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 110 and name HN ))
ASSI { 755}
(( segid " " and resid 93 and name HN ))
( segid " " and resid 13 and name HB% )
4.400 2.400 1.600 peak 755 spectrum 1 weight 0.10000E+01 volume 0.34563E-03 ppm1 8.357 ppm2 0.802 CV 1
OR { 755}
(( segid " " and resid 93 and name HN ))
( segid " " and resid 95 and name HG1%)
ASSI { 758}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 104 and name HA ))
3.400 1.500 1.500 peak 758 spectrum 1 weight 0.10000E+01 volume 0.10131E-02 ppm1 8.361 ppm2 4.226 CV 1
OR { 758}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 103 and name HA ))
ASSI { 765}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 18 and name HN ))
2.900 2.900 3.100 peak 765 spectrum 1 weight 0.10000E+01 volume 0.31934E-02 ppm1 8.368 ppm2 6.669 CV 1
OR { 765}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 19 and name HE% )
OR { 765}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 27 and name HN ))
ASSI { 783}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 84 and name HN ))
4.000 2.000 2.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.34884E-03 ppm1 8.378 ppm2 9.570 CV 1
OR { 783}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 100 and name HN ))
ASSI { 786}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 97 and name HB3 ))
2.400 0.700 0.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.16095E-01 ppm1 8.391 ppm2 3.714 CV 1
OR { 786}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HB3 ))
OR { 786}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 97 and name HB2 ))
ASSI { 791}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HA ))
2.000 0.500 0.500 peak 791 spectrum 1 weight 0.10000E+01 volume 0.17891E-01 ppm1 8.400 ppm2 4.332 CV 1
OR { 791}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HA ))
ASSI { 795}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HA ))
2.400 0.700 0.700 peak 795 spectrum 1 weight 0.10000E+01 volume 0.49825E-02 ppm1 8.409 ppm2 4.173 CV 1
OR { 795}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 67 and name HA2 ))
ASSI { 803}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HA ))
2.900 1.100 1.100 peak 803 spectrum 1 weight 0.10000E+01 volume 0.30203E-02 ppm1 8.410 ppm2 2.936 CV 1
OR { 803}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 34 and name HB3 ))
ASSI { 805}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 37 and name HB2 ))
3.800 1.800 1.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.76307E-03 ppm1 8.413 ppm2 3.543 CV 1
OR { 805}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 66 and name HB2 ))
ASSI { 808}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB3 ))
2.500 0.800 0.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.78873E-02 ppm1 8.424 ppm2 1.014 CV 1
OR { 808}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HG13))
OR { 808}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 58 and name HD1%)
ASSI { 815}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 71 and name HN ))
4.000 2.000 2.000 peak 815 spectrum 1 weight 0.10000E+01 volume 0.74385E-03 ppm1 8.425 ppm2 9.323 CV 1
OR { 815}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 111 and name HN ))
ASSI { 834}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HG3 ))
2.900 1.100 1.100 peak 834 spectrum 1 weight 0.10000E+01 volume 0.37833E-02 ppm1 8.490 ppm2 2.056 CV 1
OR { 834}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HG3 ))
ASSI { 842}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HA ))
3.600 1.600 1.600 peak 842 spectrum 1 weight 0.10000E+01 volume 0.11799E-02 ppm1 8.493 ppm2 4.035 CV 1
OR { 842}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 67 and name HA1 ))
ASSI { 853}
(( segid " " and resid 52 and name HN ))
( segid " " and resid 52 and name HG2%)
3.700 1.700 1.700 peak 853 spectrum 1 weight 0.10000E+01 volume 0.17249E-02 ppm1 8.496 ppm2 1.121 CV 1
OR { 853}
(( segid " " and resid 52 and name HN ))
( segid " " and resid 57 and name HB% )
ASSI { 862}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA1 ))
4.100 2.100 1.900 peak 862 spectrum 1 weight 0.10000E+01 volume 0.34948E-03 ppm1 8.499 ppm2 3.874 CV 1
OR { 862}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB3 ))
ASSI { 866}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HB3 ))
4.200 2.200 1.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.33794E-03 ppm1 8.540 ppm2 3.112 CV 1
OR { 866}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HB3 ))
ASSI { 871}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 47 and name HB2 ))
5.500 3.800 0.500 peak 871 spectrum 1 weight 0.10000E+01 volume 0.92982E-04 ppm1 8.554 ppm2 3.097 CV 1
OR { 871}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 50 and name HB3 ))
ASSI { 885}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 31 and name HA ))
2.800 1.000 1.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.30074E-02 ppm1 8.584 ppm2 4.461 CV 1
OR { 885}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA ))
ASSI { 897}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HA ))
2.900 1.000 1.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.24560E-02 ppm1 8.588 ppm2 5.005 CV 1
OR { 897}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 60 and name HA ))
ASSI { 916}
(( segid " " and resid 112 and name HN ))
( segid " " and resid 49 and name HG1%)
2.600 2.600 3.400 peak 916 spectrum 1 weight 0.10000E+01 volume 0.23470E-02 ppm1 8.707 ppm2 0.923 CV 1
OR { 916}
(( segid " " and resid 112 and name HN ))
( segid " " and resid 113 and name HG2%)
ASSI { 925}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 47 and name HB2 ))
2.700 0.900 0.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.77590E-02 ppm1 8.709 ppm2 3.096 CV 1
OR { 925}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 112 and name HB3 ))
ASSI { 929}
(( segid " " and resid 112 and name HN ))
( segid " " and resid 48 and name HG2%)
2.900 2.900 3.100 peak 929 spectrum 1 weight 0.10000E+01 volume 0.93621E-03 ppm1 8.710 ppm2 1.139 CV 1
OR { 929}
(( segid " " and resid 112 and name HN ))
( segid " " and resid 57 and name HB% )
ASSI { 934}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HA ))
2.600 0.900 0.900 peak 934 spectrum 1 weight 0.10000E+01 volume 0.40335E-02 ppm1 8.756 ppm2 2.938 CV 1
OR { 934}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB3 ))
ASSI { 937}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 66 and name HD% )
4.600 2.600 1.400 peak 937 spectrum 1 weight 0.10000E+01 volume 0.23662E-03 ppm1 8.762 ppm2 7.255 CV 1
OR { 937}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HD22))
ASSI { 938}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 38 and name HD1 ))
4.800 2.900 1.200 peak 938 spectrum 1 weight 0.10000E+01 volume 0.17698E-03 ppm1 8.782 ppm2 7.233 CV 1
OR { 938}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HD22))
ASSI { 943}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB3 ))
2.700 0.900 0.900 peak 943 spectrum 1 weight 0.10000E+01 volume 0.60663E-02 ppm1 8.785 ppm2 2.944 CV 1
OR { 943}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 35 and name HA ))
ASSI { 949}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 98 and name HN ))
4.000 2.000 2.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.69896E-03 ppm1 8.799 ppm2 8.370 CV 1
OR { 949}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 75 and name HN ))
ASSI { 953}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 36 and name HB3 ))
2.900 2.900 3.100 peak 953 spectrum 1 weight 0.10000E+01 volume 0.38282E-02 ppm1 8.801 ppm2 2.443 CV 1
OR { 953}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 36 and name HB3 ))
ASSI { 960}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 81 and name HG1%)
3.200 1.300 1.300 peak 960 spectrum 1 weight 0.10000E+01 volume 0.17827E-02 ppm1 8.804 ppm2 0.826 CV 1
OR { 960}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 95 and name HG2%)
ASSI { 965}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 101 and name HA ))
3.200 1.300 1.300 peak 965 spectrum 1 weight 0.10000E+01 volume 0.27959E-02 ppm1 8.806 ppm2 4.128 CV 1
OR { 965}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HB2 ))
ASSI { 981}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 100 and name HD1%)
4.300 2.400 1.700 peak 981 spectrum 1 weight 0.10000E+01 volume 0.52582E-03 ppm1 8.824 ppm2 0.508 CV 1
OR { 981}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 72 and name HG1%)
ASSI { 984}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HB ))
2.400 0.700 0.700 peak 984 spectrum 1 weight 0.10000E+01 volume 0.78234E-02 ppm1 8.825 ppm2 1.837 CV 1
OR { 984}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 100 and name HB ))
ASSI { 991}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HB2 ))
2.700 0.900 0.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.30716E-02 ppm1 8.827 ppm2 2.196 CV 1
OR { 991}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HB ))
ASSI { 993}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 82 and name HB ))
3.300 1.300 1.300 peak 993 spectrum 1 weight 0.10000E+01 volume 0.22379E-02 ppm1 8.834 ppm2 4.090 CV 1
OR { 993}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HB2 ))
ASSI { 994}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 87 and name HN ))
3.600 1.600 1.600 peak 994 spectrum 1 weight 0.10000E+01 volume 0.94904E-03 ppm1 8.834 ppm2 8.248 CV 1
OR { 994}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HN ))
ASSI { 995}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HB3 ))
3.500 1.500 1.500 peak 995 spectrum 1 weight 0.10000E+01 volume 0.20327E-02 ppm1 8.838 ppm2 3.744 CV 1
OR { 995}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 74 and name HB3 ))
ASSI { 1000}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB2 ))
3.700 1.700 1.700 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.16865E-02 ppm1 8.846 ppm2 3.156 CV 1
OR { 1000}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HB2 ))
OR { 1000}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HB3 ))
ASSI { 1001}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HD1 ))
3.300 1.400 1.400 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.15134E-02 ppm1 8.847 ppm2 7.180 CV 1
OR { 1001}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 39 and name HN ))
ASSI { 1002}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HA ))
3.300 1.300 1.300 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.15134E-02 ppm1 8.847 ppm2 4.159 CV 1
OR { 1002}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HA ))
ASSI { 1023}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HA ))
2.400 0.700 0.700 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.77590E-02 ppm1 8.863 ppm2 4.302 CV 1
OR { 1023}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 74 and name HA ))
ASSI { 1026}
(( segid " " and resid 55 and name HN ))
( segid " " and resid 75 and name HG1%)
3.100 1.200 1.200 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.24367E-02 ppm1 8.863 ppm2 0.537 CV 1
OR { 1026}
(( segid " " and resid 55 and name HN ))
( segid " " and resid 72 and name HG1%)
ASSI { 1031}
(( segid " " and resid 55 and name HN ))
( segid " " and resid 75 and name HG2%)
4.600 2.600 1.400 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.34371E-03 ppm1 8.864 ppm2 0.818 CV 1
OR { 1031}
(( segid " " and resid 55 and name HN ))
( segid " " and resid 72 and name HG2%)
ASSI { 1043}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 59 and name HB2 ))
2.700 0.900 0.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.49183E-02 ppm1 8.890 ppm2 1.341 CV 1
OR { 1043}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 70 and name HB% )
ASSI { 1050}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 58 and name HB ))
4.600 2.600 1.400 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.37962E-03 ppm1 8.891 ppm2 2.005 CV 1
OR { 1050}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 63 and name HB3 ))
OR { 1050}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 63 and name HB2 ))
ASSI { 1053}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HA ))
2.700 0.900 0.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.31742E-02 ppm1 8.893 ppm2 4.531 CV 1
OR { 1053}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HA ))
ASSI { 1058}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB2 ))
3.300 1.300 1.300 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.14877E-02 ppm1 8.900 ppm2 4.177 CV 1
OR { 1058}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 59 and name HA ))
ASSI { 1061}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 89 and name HB3 ))
4.100 2.100 1.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.59445E-03 ppm1 8.934 ppm2 3.718 CV 1
OR { 1061}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 89 and name HB2 ))
OR { 1061}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 94 and name HB3 ))
ASSI { 1088}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 49 and name HG2%)
2.800 1.000 1.000 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.36615E-02 ppm1 9.003 ppm2 0.746 CV 1
OR { 1088}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 83 and name HG2%)
ASSI { 1096}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 82 and name HG2%)
3.500 1.500 1.500 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.30780E-02 ppm1 9.012 ppm2 1.131 CV 1
OR { 1096}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 57 and name HB% )
ASSI { 1102}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 74 and name HB2 ))
4.600 2.600 1.400 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.11030E-03 ppm1 9.016 ppm2 3.836 CV 1
OR { 1102}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 99 and name HB ))
ASSI { 1118}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HB ))
4.200 2.200 1.800 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.89133E-03 ppm1 9.076 ppm2 1.859 CV 1
OR { 1118}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 81 and name HB ))
ASSI { 1121}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 97 and name HA ))
4.700 2.800 1.300 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.23277E-03 ppm1 9.187 ppm2 5.587 CV 1
OR { 1121}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 84 and name HA ))
ASSI { 1122}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 85 and name HG2 ))
4.300 2.300 1.700 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.59828E-03 ppm1 9.188 ppm2 2.112 CV 1
OR { 1122}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 86 and name HG3 ))
ASSI { 1123}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 85 and name HN ))
3.000 1.100 1.100 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.28984E-02 ppm1 9.189 ppm2 8.803 CV 1
OR { 1123}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HN ))
ASSI { 1128}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HA ))
2.100 0.500 0.500 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.12889E-01 ppm1 9.190 ppm2 4.829 CV 1
OR { 1128}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 96 and name HA ))
ASSI { 1131}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 85 and name HG3 ))
3.000 1.100 1.100 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.23662E-02 ppm1 9.192 ppm2 2.052 CV 1
OR { 1131}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 86 and name HG3 ))
ASSI { 1140}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 73 and name HN ))
3.900 1.900 1.900 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.62459E-03 ppm1 9.278 ppm2 8.810 CV 1
OR { 1140}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 81 and name HN ))
ASSI { 1143}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 82 and name HG2%)
2.600 0.800 0.800 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.81439E-02 ppm1 9.283 ppm2 1.150 CV 1
OR { 1143}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 48 and name HG2%)
ASSI { 1146}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HB ))
3.000 1.100 1.100 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.32319E-02 ppm1 9.284 ppm2 1.816 CV 1
OR { 1146}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 81 and name HB ))
ASSI { 1156}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB2 ))
3.000 1.100 1.100 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.46939E-02 ppm1 9.303 ppm2 2.421 CV 1
OR { 1156}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 87 and name HB3 ))
ASSI { 1160}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 86 and name HB2 ))
5.000 3.100 1.000 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.20648E-03 ppm1 9.306 ppm2 1.644 CV 1
OR { 1160}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 69 and name HB ))
ASSI { 1174}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 84 and name HA ))
4.100 2.100 1.900 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.47773E-03 ppm1 9.315 ppm2 5.612 CV 1
OR { 1174}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 83 and name HA ))
ASSI { 1177}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 83 and name HD1%)
6.000 4.600 0.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.87211E-04 ppm1 9.317 ppm2 0.424 CV 1
OR { 1177}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 23 and name HG2 ))
ASSI { 1182}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 58 and name HB ))
2.700 0.900 0.900 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.76951E-02 ppm1 9.328 ppm2 1.972 CV 1
OR { 1182}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 110 and name HB3 ))
ASSI { 1184}
(( segid " " and resid 111 and name HN ))
( segid " " and resid 57 and name HB% )
2.500 2.500 3.500 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.24239E-02 ppm1 9.329 ppm2 1.103 CV 1
OR { 1184}
(( segid " " and resid 111 and name HN ))
( segid " " and resid 58 and name HG2%)
ASSI { 1187}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 112 and name HD2 ))
3.800 1.800 1.800 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.90416E-03 ppm1 9.332 ppm2 6.840 CV 1
OR { 1187}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 38 and name HZ3 ))
ASSI { 1194}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 110 and name HB3 ))
2.900 1.100 1.100 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.19430E-02 ppm1 9.337 ppm2 1.925 CV 1
OR { 1194}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 49 and name HB ))
ASSI { 1197}
(( segid " " and resid 110 and name HN ))
( segid " " and resid 49 and name HG2%)
3.000 1.100 1.100 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.12312E-02 ppm1 9.338 ppm2 0.750 CV 1
OR { 1197}
(( segid " " and resid 110 and name HN ))
( segid " " and resid 111 and name HG2%)
ASSI { 1199}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 109 and name HB2 ))
3.800 1.800 1.800 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.94904E-03 ppm1 9.339 ppm2 3.121 CV 1
OR { 1199}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 51 and name HB3 ))
ASSI { 1204}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 109 and name HB2 ))
3.700 1.700 1.700 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.94904E-03 ppm1 9.486 ppm2 3.130 CV 1
OR { 1204}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 38 and name HB2 ))
OR { 1204}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 38 and name HB3 ))
ASSI { 1206}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 69 and name HA ))
3.400 1.400 1.400 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.11542E-02 ppm1 9.487 ppm2 5.316 CV 1
OR { 1206}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 110 and name HA ))
ASSI { 1224}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HB ))
2.400 0.700 0.700 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.62459E-02 ppm1 9.561 ppm2 1.828 CV 1
OR { 1224}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 81 and name HB ))
ASSI { 1230}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 85 and name HN ))
3.400 1.500 1.500 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.17891E-02 ppm1 9.594 ppm2 8.814 CV 1
OR { 1230}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 73 and name HN ))
ASSI { 1235}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 73 and name HG3 ))
2.800 1.000 1.000 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.22251E-02 ppm1 9.596 ppm2 2.512 CV 1
OR { 1235}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 71 and name HB3 ))
ASSI { 1236}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 71 and name HN ))
2.900 1.000 1.000 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.27381E-02 ppm1 9.597 ppm2 9.301 CV 1
OR { 1236}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HN ))
ASSI { 1237}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HA ))
2.200 0.600 0.600 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.10901E-01 ppm1 9.597 ppm2 5.621 CV 1
OR { 1237}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HA ))
ASSI { 1247}
(( segid " " and resid 38 and name HE1 ))
( segid " " and resid 41 and name HB% )
4.100 2.100 1.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.21289E-03 ppm1 9.651 ppm2 0.421 CV 1
OR { 1247}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 28 and name HG13))
ASSI { 1248}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 33 and name HA2 ))
4.300 2.300 1.700 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.13466E-03 ppm1 9.655 ppm2 4.324 CV 1
OR { 1248}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 111 and name HA ))
OR { 1248}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 88 and name HA ))
ASSI { 1260}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 17 and name HA ))
4.300 2.300 1.700 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.38732E-03 ppm1 9.658 ppm2 3.173 CV 1
OR { 1260}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 38 and name HB2 ))
ASSI { 1262}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 33 and name HN ))
3.700 1.700 1.700 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.48991E-03 ppm1 9.660 ppm2 8.580 CV 1
OR { 1262}
(( segid " " and resid 38 and name HE1 ))
(( segid " " and resid 68 and name HN ))
ASSI { 1273}
(( segid " " and resid 32 and name HE1 ))
(( segid " " and resid 32 and name HA ))
4.000 2.000 2.000 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.68613E-03 ppm1 10.088 ppm2 4.474 CV 1
OR { 1273}
(( segid " " and resid 32 and name HE1 ))
(( segid " " and resid 31 and name HA ))
ASSI { 1274}
(( segid " " and resid 32 and name HE1 ))
( segid " " and resid 111 and name HD1%)
5.900 4.300 0.100 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.54826E-04 ppm1 10.093 ppm2 0.819 CV 1
OR { 1274}
(( segid " " and resid 32 and name HE1 ))
( segid " " and resid 24 and name HG2%)
ASSI { 1275}
(( segid " " and resid 18 and name HE1 ))
(( segid " " and resid 18 and name HB2 ))
4.700 2.700 1.300 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.26548E-03 ppm1 10.677 ppm2 3.466 CV 1
OR { 1275}
(( segid " " and resid 18 and name HE1 ))
(( segid " " and resid 9 and name HA ))
ASSI { 1280}
(( segid " " and resid 18 and name HE1 ))
(( segid " " and resid 15 and name HN ))
3.500 1.600 1.600 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.11414E-02 ppm1 10.682 ppm2 7.188 CV 1
OR { 1280}
(( segid " " and resid 18 and name HE1 ))
(( segid " " and resid 18 and name HZ3 ))
ASSI { 3}
(( segid " " and resid 66 and name HB2 ))
( segid " " and resid 69 and name HG2%)
4.400 2.400 1.600 peak 3 spectrum 1 weight 0.10000E+01 volume 0.34901E-03 ppm1 -0.137 ppm2 3.574 CV 1
OR { 3}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 69 and name HG2%)
OR { 3}
(( segid " " and resid 37 and name HB2 ))
( segid " " and resid 69 and name HG2%)
ASSI { 15}
( segid " " and resid 19 and name HE% )
(( segid " " and resid 23 and name HG3 ))
4.000 2.000 2.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.25605E-03 ppm1 -0.003 ppm2 6.682 CV 1
OR { 15}
( segid " " and resid 71 and name HE% )
(( segid " " and resid 23 and name HG3 ))
ASSI { 30}
( segid " " and resid 21 and name HD% )
( segid " " and resid 28 and name HD1%)
2.500 0.800 0.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.65588E-02 ppm1 0.148 ppm2 6.810 CV 1
OR { 30}
(( segid " " and resid 38 and name HZ3 ))
( segid " " and resid 28 and name HD1%)
ASSI { 32}
(( segid " " and resid 58 and name HB ))
( segid " " and resid 28 and name HD1%)
4.200 2.200 1.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.49343E-03 ppm1 0.153 ppm2 2.010 CV 1
OR { 32}
(( segid " " and resid 20 and name HB ))
( segid " " and resid 28 and name HD1%)
ASSI { 34}
(( segid " " and resid 100 and name HB ))
(( segid " " and resid 59 and name HG ))
4.000 2.000 2.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.62880E-03 ppm1 0.257 ppm2 1.833 CV 1
OR { 34}
(( segid " " and resid 83 and name HB ))
(( segid " " and resid 59 and name HG ))
ASSI { 50}
( segid " " and resid 113 and name HD1%)
( segid " " and resid 28 and name HG2%)
2.200 2.200 3.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.13840E-01 ppm1 0.392 ppm2 0.789 CV 1
OR { 50}
( segid " " and resid 24 and name HG2%)
( segid " " and resid 28 and name HG2%)
ASSI { 76}
( segid " " and resid 72 and name HG2%)
( segid " " and resid 72 and name HG1%)
1.900 1.900 4.100 peak 76 spectrum 1 weight 0.10000E+01 volume 0.26537E-01 ppm1 0.510 ppm2 0.839 CV 1
OR { 76}
( segid " " and resid 81 and name HG1%)
( segid " " and resid 72 and name HG1%)
ASSI { 77}
(( segid " " and resid 74 and name HA ))
( segid " " and resid 72 and name HG1%)
3.500 1.500 1.500 peak 77 spectrum 1 weight 0.10000E+01 volume 0.79430E-03 ppm1 0.510 ppm2 4.304 CV 1
OR { 77}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 72 and name HG1%)
ASSI { 81}
(( segid " " and resid 54 and name HB3 ))
( segid " " and resid 75 and name HG1%)
3.800 1.800 1.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.85747E-03 ppm1 0.543 ppm2 3.707 CV 1
OR { 81}
(( segid " " and resid 74 and name HB3 ))
( segid " " and resid 75 and name HG1%)
ASSI { 83}
(( segid " " and resid 75 and name HA ))
( segid " " and resid 75 and name HG1%)
2.500 0.800 0.800 peak 83 spectrum 1 weight 0.10000E+01 volume 0.86353E-02 ppm1 0.544 ppm2 4.291 CV 1
OR { 83}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 75 and name HG1%)
OR { 83}
(( segid " " and resid 74 and name HA ))
( segid " " and resid 75 and name HG1%)
ASSI { 84}
(( segid " " and resid 53 and name HB3 ))
( segid " " and resid 75 and name HG1%)
2.700 2.700 3.300 peak 84 spectrum 1 weight 0.10000E+01 volume 0.75520E-02 ppm1 0.545 ppm2 1.225 CV 1
OR { 84}
(( segid " " and resid 55 and name HG3 ))
( segid " " and resid 75 and name HG1%)
ASSI { 117}
( segid " " and resid 21 and name HD% )
(( segid " " and resid 28 and name HG12))
3.500 1.500 1.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.10320E-02 ppm1 0.720 ppm2 6.813 CV 1
OR { 117}
(( segid " " and resid 38 and name HZ3 ))
(( segid " " and resid 28 and name HG12))
ASSI { 119}
( segid " " and resid 40 and name HB% )
( segid " " and resid 111 and name HG2%)
2.600 2.600 3.400 peak 119 spectrum 1 weight 0.10000E+01 volume 0.70704E-02 ppm1 0.731 ppm2 1.343 CV 1
OR { 119}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 111 and name HG2%)
ASSI { 126}
(( segid " " and resid 109 and name HB2 ))
( segid " " and resid 49 and name HG2%)
3.200 1.300 1.300 peak 126 spectrum 1 weight 0.10000E+01 volume 0.19436E-02 ppm1 0.753 ppm2 3.069 CV 1
OR { 126}
(( segid " " and resid 50 and name HB3 ))
( segid " " and resid 49 and name HG2%)
OR { 126}
(( segid " " and resid 51 and name HB3 ))
( segid " " and resid 49 and name HG2%)
ASSI { 149}
(( segid " " and resid 79 and name HA1 ))
( segid " " and resid 75 and name HG2%)
5.000 3.100 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.94172E-04 ppm1 0.805 ppm2 3.496 CV 1
OR { 149}
(( segid " " and resid 53 and name HD3 ))
( segid " " and resid 75 and name HG2%)
ASSI { 156}
(( segid " " and resid 53 and name HB2 ))
( segid " " and resid 72 and name HG2%)
2.600 2.600 3.400 peak 156 spectrum 1 weight 0.10000E+01 volume 0.38211E-02 ppm1 0.815 ppm2 1.323 CV 1
OR { 156}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 72 and name HG2%)
ASSI { 157}
(( segid " " and resid 95 and name HB ))
( segid " " and resid 95 and name HG2%)
2.300 0.600 0.600 peak 157 spectrum 1 weight 0.10000E+01 volume 0.91764E-02 ppm1 0.837 ppm2 1.874 CV 1
OR { 157}
(( segid " " and resid 75 and name HB ))
( segid " " and resid 75 and name HG2%)
ASSI { 165}
(( segid " " and resid 29 and name HA2 ))
( segid " " and resid 111 and name HD1%)
3.200 1.300 1.300 peak 165 spectrum 1 weight 0.10000E+01 volume 0.28192E-02 ppm1 0.850 ppm2 3.760 CV 1
OR { 165}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 111 and name HD1%)
ASSI { 169}
(( segid " " and resid 29 and name HA2 ))
(( segid " " and resid 111 and name HG13))
4.100 2.100 1.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.70704E-03 ppm1 0.854 ppm2 3.763 CV 1
OR { 169}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 111 and name HG13))
ASSI { 171}
(( segid " " and resid 81 and name HB ))
( segid " " and resid 81 and name HG1%)
2.000 0.500 0.500 peak 171 spectrum 1 weight 0.10000E+01 volume 0.17270E-01 ppm1 0.868 ppm2 1.840 CV 1
OR { 171}
(( segid " " and resid 75 and name HB ))
( segid " " and resid 81 and name HG1%)
ASSI { 181}
(( segid " " and resid 27 and name HG2 ))
( segid " " and resid 113 and name HG2%)
2.600 0.900 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.47237E-02 ppm1 0.894 ppm2 2.328 CV 1
OR { 181}
(( segid " " and resid 43 and name HG3 ))
( segid " " and resid 42 and name HB% )
ASSI { 209}
( segid " " and resid 45 and name HB% )
( segid " " and resid 31 and name HG2%)
2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.36706E-02 ppm1 0.971 ppm2 1.847 CV 1
OR { 209}
(( segid " " and resid 58 and name HG12))
( segid " " and resid 24 and name HG1%)
OR { 209}
(( segid " " and resid 100 and name HB ))
( segid " " and resid 99 and name HG2%)
ASSI { 213}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 24 and name HG1%)
3.200 1.300 1.300 peak 213 spectrum 1 weight 0.10000E+01 volume 0.19587E-02 ppm1 0.979 ppm2 3.593 CV 1
OR { 213}
(( segid " " and resid 30 and name HB3 ))
( segid " " and resid 31 and name HG2%)
ASSI { 218}
( segid " " and resid 71 and name HD% )
( segid " " and resid 20 and name HG2%)
3.600 1.600 1.600 peak 218 spectrum 1 weight 0.10000E+01 volume 0.19015E-02 ppm1 0.993 ppm2 6.750 CV 1
OR { 218}
(( segid " " and resid 32 and name HH2 ))
( segid " " and resid 20 and name HG2%)
ASSI { 241}
(( segid " " and resid 15 and name HG2 ))
( segid " " and resid 12 and name HG2%)
2.600 0.800 0.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.55061E-02 ppm1 1.085 ppm2 2.195 CV 1
OR { 241}
(( segid " " and resid 73 and name HB2 ))
( segid " " and resid 82 and name HG2%)
ASSI { 242}
(( segid " " and resid 38 and name HZ3 ))
( segid " " and resid 20 and name HG1%)
3.100 1.200 1.200 peak 242 spectrum 1 weight 0.10000E+01 volume 0.48742E-02 ppm1 1.087 ppm2 6.822 CV 1
OR { 242}
( segid " " and resid 21 and name HD% )
( segid " " and resid 20 and name HG1%)
ASSI { 249}
(( segid " " and resid 68 and name HA ))
( segid " " and resid 35 and name HB% )
3.600 1.700 1.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.78229E-03 ppm1 1.096 ppm2 5.034 CV 1
OR { 249}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 35 and name HB% )
ASSI { 258}
(( segid " " and resid 74 and name HB3 ))
( segid " " and resid 82 and name HG2%)
3.300 1.300 1.300 peak 258 spectrum 1 weight 0.10000E+01 volume 0.97481E-03 ppm1 1.107 ppm2 3.705 CV 1
OR { 258}
(( segid " " and resid 97 and name HB3 ))
( segid " " and resid 82 and name HG2%)
ASSI { 267}
(( segid " " and resid 112 and name HD2 ))
( segid " " and resid 57 and name HB% )
3.800 1.800 1.800 peak 267 spectrum 1 weight 0.10000E+01 volume 0.39415E-03 ppm1 1.110 ppm2 6.870 CV 1
OR { 267}
(( segid " " and resid 38 and name HZ3 ))
( segid " " and resid 57 and name HB% )
ASSI { 276}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 100 and name HG13))
2.700 2.700 3.300 peak 276 spectrum 1 weight 0.10000E+01 volume 0.54761E-02 ppm1 1.129 ppm2 0.826 CV 1
OR { 276}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 100 and name HG13))
ASSI { 288}
( segid " " and resid 71 and name HD% )
( segid " " and resid 82 and name HG2%)
2.900 2.900 3.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.30388E-02 ppm1 1.146 ppm2 6.709 CV 1
OR { 288}
( segid " " and resid 19 and name HE% )
( segid " " and resid 82 and name HG2%)
ASSI { 299}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HG12))
3.400 1.500 1.500 peak 299 spectrum 1 weight 0.10000E+01 volume 0.13539E-02 ppm1 1.202 ppm2 5.632 CV 1
OR { 299}
(( segid " " and resid 84 and name HA ))
(( segid " " and resid 83 and name HG12))
ASSI { 301}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 53 and name HB3 ))
2.600 2.600 3.400 peak 301 spectrum 1 weight 0.10000E+01 volume 0.58670E-02 ppm1 1.221 ppm2 0.849 CV 1
OR { 301}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 53 and name HB3 ))
ASSI { 332}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 70 and name HB% )
2.400 2.400 3.600 peak 332 spectrum 1 weight 0.10000E+01 volume 0.86954E-02 ppm1 1.328 ppm2 0.987 CV 1
OR { 332}
(( segid " " and resid 83 and name HG13))
( segid " " and resid 70 and name HB% )
ASSI { 333}
(( segid " " and resid 83 and name HB ))
( segid " " and resid 70 and name HB% )
2.300 2.300 3.700 peak 333 spectrum 1 weight 0.10000E+01 volume 0.68296E-02 ppm1 1.328 ppm2 1.807 CV 1
OR { 333}
(( segid " " and resid 85 and name HB3 ))
( segid " " and resid 70 and name HB% )
ASSI { 344}
( segid " " and resid 95 and name HG2%)
(( segid " " and resid 86 and name HB3 ))
2.800 2.800 3.200 peak 344 spectrum 1 weight 0.10000E+01 volume 0.14502E-02 ppm1 1.349 ppm2 0.808 CV 1
OR { 344}
( segid " " and resid 95 and name HG1%)
(( segid " " and resid 86 and name HB3 ))
OR { 344}
( segid " " and resid 13 and name HB% )
(( segid " " and resid 86 and name HB3 ))
ASSI { 365}
( segid " " and resid 111 and name HD1%)
(( segid " " and resid 60 and name HB3 ))
2.500 2.500 3.500 peak 365 spectrum 1 weight 0.10000E+01 volume 0.21422E-02 ppm1 1.433 ppm2 0.850 CV 1
OR { 365}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 60 and name HB3 ))
OR { 365}
(( segid " " and resid 111 and name HG13))
(( segid " " and resid 60 and name HB3 ))
ASSI { 367}
(( segid " " and resid 110 and name HB2 ))
(( segid " " and resid 60 and name HB3 ))
3.200 3.200 2.800 peak 367 spectrum 1 weight 0.10000E+01 volume 0.12637E-02 ppm1 1.435 ppm2 2.515 CV 1
OR { 367}
(( segid " " and resid 68 and name HB3 ))
(( segid " " and resid 60 and name HB3 ))
ASSI { 388}
( segid " " and resid 72 and name HG1%)
(( segid " " and resid 53 and name HG3 ))
3.600 1.700 1.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.14412E-02 ppm1 1.559 ppm2 0.538 CV 1
OR { 388}
( segid " " and resid 75 and name HG1%)
(( segid " " and resid 53 and name HG3 ))
ASSI { 400}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 111 and name HG12))
3.800 1.800 1.800 peak 400 spectrum 1 weight 0.10000E+01 volume 0.87855E-03 ppm1 1.602 ppm2 3.758 CV 1
OR { 400}
(( segid " " and resid 29 and name HA2 ))
(( segid " " and resid 111 and name HG12))
ASSI { 408}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 27 and name HB3 ))
3.500 1.500 1.500 peak 408 spectrum 1 weight 0.10000E+01 volume 0.93572E-03 ppm1 1.653 ppm2 0.784 CV 1
OR { 408}
( segid " " and resid 113 and name HD1%)
(( segid " " and resid 27 and name HB3 ))
ASSI { 417}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 69 and name HB ))
2.700 2.700 3.300 peak 417 spectrum 1 weight 0.10000E+01 volume 0.41821E-02 ppm1 1.664 ppm2 0.997 CV 1
OR { 417}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 69 and name HB ))
ASSI { 419}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 69 and name HB ))
2.400 2.400 3.600 peak 419 spectrum 1 weight 0.10000E+01 volume 0.60778E-02 ppm1 1.665 ppm2 1.128 CV 1
OR { 419}
( segid " " and resid 35 and name HB% )
(( segid " " and resid 69 and name HB ))
ASSI { 428}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 53 and name HG2 ))
2.800 1.000 1.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.58069E-02 ppm1 1.748 ppm2 0.835 CV 1
OR { 428}
( segid " " and resid 75 and name HG2%)
(( segid " " and resid 53 and name HG2 ))
ASSI { 429}
( segid " " and resid 72 and name HG1%)
(( segid " " and resid 53 and name HG2 ))
3.300 1.400 1.400 peak 429 spectrum 1 weight 0.10000E+01 volume 0.20580E-02 ppm1 1.749 ppm2 0.542 CV 1
OR { 429}
( segid " " and resid 75 and name HG1%)
(( segid " " and resid 53 and name HG2 ))
ASSI { 438}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HG3 ))
3.600 1.600 1.600 peak 438 spectrum 1 weight 0.10000E+01 volume 0.10501E-02 ppm1 1.767 ppm2 4.030 CV 1
OR { 438}
(( segid " " and resid 91 and name HA1 ))
(( segid " " and resid 92 and name HG3 ))
ASSI { 460}
(( segid " " and resid 100 and name HG12))
(( segid " " and resid 100 and name HB ))
2.500 2.500 3.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.42423E-02 ppm1 1.830 ppm2 1.243 CV 1
OR { 460}
(( segid " " and resid 113 and name HG13))
(( segid " " and resid 113 and name HB ))
ASSI { 462}
(( segid " " and resid 113 and name HA ))
(( segid " " and resid 113 and name HB ))
2.600 0.800 0.800 peak 462 spectrum 1 weight 0.10000E+01 volume 0.42724E-02 ppm1 1.837 ppm2 4.281 CV 1
OR { 462}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 100 and name HB ))
ASSI { 464}
(( segid " " and resid 100 and name HG12))
(( segid " " and resid 81 and name HB ))
3.800 3.800 2.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.70404E-03 ppm1 1.839 ppm2 1.242 CV 1
OR { 464}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 81 and name HB ))
ASSI { 473}
(( segid " " and resid 75 and name HA ))
(( segid " " and resid 75 and name HB ))
2.700 0.900 0.900 peak 473 spectrum 1 weight 0.10000E+01 volume 0.30388E-02 ppm1 1.853 ppm2 4.315 CV 1
OR { 473}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 75 and name HB ))
ASSI { 478}
(( segid " " and resid 84 and name HB3 ))
(( segid " " and resid 95 and name HB ))
6.000 4.500 0.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.46635E-04 ppm1 1.873 ppm2 3.963 CV 1
OR { 478}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 95 and name HB ))
ASSI { 512}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB ))
3.300 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.10561E-02 ppm1 2.021 ppm2 3.030 CV 1
OR { 512}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 20 and name HB ))
ASSI { 514}
(( segid " " and resid 32 and name HH2 ))
(( segid " " and resid 20 and name HB ))
2.600 0.800 0.800 peak 514 spectrum 1 weight 0.10000E+01 volume 0.30689E-02 ppm1 2.022 ppm2 6.754 CV 1
OR { 514}
( segid " " and resid 108 and name HE% )
(( segid " " and resid 104 and name HB3 ))
ASSI { 515}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HG3 ))
3.500 1.500 1.500 peak 515 spectrum 1 weight 0.10000E+01 volume 0.15585E-02 ppm1 2.025 ppm2 4.384 CV 1
OR { 515}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 15 and name HG3 ))
ASSI { 517}
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 104 and name HB3 ))
1.500 1.500 4.500 peak 517 spectrum 1 weight 0.10000E+01 volume 0.77022E-01 ppm1 2.031 ppm2 2.192 CV 1
OR { 517}
(( segid " " and resid 63 and name HG2 ))
(( segid " " and resid 63 and name HB3 ))
OR { 517}
(( segid " " and resid 63 and name HG3 ))
(( segid " " and resid 63 and name HB2 ))
OR { 517}
(( segid " " and resid 63 and name HG2 ))
(( segid " " and resid 63 and name HB2 ))
ASSI { 552}
( segid " " and resid 57 and name HB% )
(( segid " " and resid 72 and name HB ))
2.800 1.000 1.000 peak 552 spectrum 1 weight 0.10000E+01 volume 0.27530E-02 ppm1 2.193 ppm2 1.119 CV 1
OR { 552}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 73 and name HB2 ))
ASSI { 555}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 72 and name HB ))
4.100 2.100 1.900 peak 555 spectrum 1 weight 0.10000E+01 volume 0.54458E-03 ppm1 2.203 ppm2 3.500 CV 1
OR { 555}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 15 and name HB3 ))
OR { 555}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 15 and name HB3 ))
ASSI { 576}
( segid " " and resid 71 and name HD% )
(( segid " " and resid 23 and name HE2 ))
3.000 1.100 1.100 peak 576 spectrum 1 weight 0.10000E+01 volume 0.18474E-02 ppm1 2.306 ppm2 6.713 CV 1
OR { 576}
( segid " " and resid 19 and name HE% )
(( segid " " and resid 23 and name HE2 ))
ASSI { 599}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 87 and name HB3 ))
3.200 1.300 1.300 peak 599 spectrum 1 weight 0.10000E+01 volume 0.10621E-02 ppm1 2.398 ppm2 4.382 CV 1
OR { 599}
(( segid " " and resid 88 and name HA ))
(( segid " " and resid 87 and name HB3 ))
ASSI { 608}
( segid " " and resid 20 and name HG1%)
(( segid " " and resid 71 and name HB3 ))
3.500 1.500 1.500 peak 608 spectrum 1 weight 0.10000E+01 volume 0.29335E-02 ppm1 2.470 ppm2 1.120 CV 1
OR { 608}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 71 and name HB3 ))
ASSI { 609}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB3 ))
2.700 0.900 0.900 peak 609 spectrum 1 weight 0.10000E+01 volume 0.39715E-02 ppm1 2.471 ppm2 4.176 CV 1
OR { 609}
(( segid " " and resid 67 and name HA2 ))
(( segid " " and resid 36 and name HB3 ))
ASSI { 615}
(( segid " " and resid 65 and name HD2 ))
(( segid " " and resid 36 and name HB3 ))
3.000 3.000 3.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.23438E-02 ppm1 2.495 ppm2 3.713 CV 1
OR { 615}
(( segid " " and resid 61 and name HB3 ))
(( segid " " and resid 36 and name HB3 ))
ASSI { 623}
(( segid " " and resid 112 and name HD2 ))
(( segid " " and resid 110 and name HB2 ))
3.100 1.200 1.200 peak 623 spectrum 1 weight 0.10000E+01 volume 0.18834E-02 ppm1 2.536 ppm2 6.864 CV 1
OR { 623}
(( segid " " and resid 38 and name HZ3 ))
(( segid " " and resid 110 and name HB2 ))
ASSI { 659}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 53 and name HA ))
3.000 1.100 1.100 peak 659 spectrum 1 weight 0.10000E+01 volume 0.19376E-02 ppm1 2.913 ppm2 0.831 CV 1
OR { 659}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 53 and name HA ))
ASSI { 666}
(( segid " " and resid 53 and name HD2 ))
(( segid " " and resid 53 and name HA ))
4.700 2.700 1.300 peak 666 spectrum 1 weight 0.10000E+01 volume 0.21844E-03 ppm1 2.918 ppm2 3.699 CV 1
OR { 666}
(( segid " " and resid 54 and name HB3 ))
(( segid " " and resid 53 and name HA ))
ASSI { 668}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB3 ))
2.700 0.900 0.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.37008E-02 ppm1 2.936 ppm2 4.371 CV 1
OR { 668}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 11 and name HB3 ))
ASSI { 673}
( segid " " and resid 20 and name HG1%)
(( segid " " and resid 20 and name HA ))
2.300 0.700 0.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.81838E-02 ppm1 3.029 ppm2 1.114 CV 1
OR { 673}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 20 and name HA ))
ASSI { 684}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB3 ))
3.300 1.300 1.300 peak 684 spectrum 1 weight 0.10000E+01 volume 0.13539E-02 ppm1 3.057 ppm2 4.384 CV 1
OR { 684}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 686}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 21 and name HB2 ))
3.300 3.300 2.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.14953E-02 ppm1 3.058 ppm2 7.225 CV 1
OR { 686}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 21 and name HB2 ))
ASSI { 703}
(( segid " " and resid 43 and name HG2 ))
(( segid " " and resid 38 and name HB3 ))
3.300 3.300 2.700 peak 703 spectrum 1 weight 0.10000E+01 volume 0.14201E-02 ppm1 3.161 ppm2 2.530 CV 1
OR { 703}
(( segid " " and resid 110 and name HB2 ))
(( segid " " and resid 38 and name HB3 ))
OR { 703}
(( segid " " and resid 68 and name HB3 ))
(( segid " " and resid 38 and name HB2 ))
ASSI { 714}
( segid " " and resid 20 and name HG1%)
(( segid " " and resid 71 and name HB2 ))
3.000 1.200 1.200 peak 714 spectrum 1 weight 0.10000E+01 volume 0.91764E-03 ppm1 3.220 ppm2 1.114 CV 1
OR { 714}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 71 and name HB2 ))
ASSI { 720}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 34 and name HB2 ))
3.100 3.100 2.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.17872E-02 ppm1 3.259 ppm2 3.582 CV 1
OR { 720}
(( segid " " and resid 66 and name HB2 ))
(( segid " " and resid 34 and name HB2 ))
ASSI { 741}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB2 ))
2.700 0.900 0.900 peak 741 spectrum 1 weight 0.10000E+01 volume 0.33698E-02 ppm1 3.486 ppm2 4.362 CV 1
OR { 741}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 753}
(( segid " " and resid 92 and name HG3 ))
(( segid " " and resid 92 and name HD3 ))
2.600 0.900 0.900 peak 753 spectrum 1 weight 0.10000E+01 volume 0.45432E-02 ppm1 3.532 ppm2 1.771 CV 1
OR { 753}
(( segid " " and resid 53 and name HG2 ))
(( segid " " and resid 53 and name HD3 ))
OR { 753}
(( segid " " and resid 92 and name HG3 ))
(( segid " " and resid 92 and name HD2 ))
ASSI { 774}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 53 and name HD2 ))
4.100 2.100 1.900 peak 774 spectrum 1 weight 0.10000E+01 volume 0.66795E-03 ppm1 3.660 ppm2 0.828 CV 1
OR { 774}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 53 and name HD2 ))
ASSI { 791}
( segid " " and resid 75 and name HG1%)
(( segid " " and resid 54 and name HB3 ))
3.000 1.100 1.100 peak 791 spectrum 1 weight 0.10000E+01 volume 0.79430E-03 ppm1 3.707 ppm2 0.538 CV 1
OR { 791}
( segid " " and resid 72 and name HG1%)
(( segid " " and resid 54 and name HB3 ))
ASSI { 794}
( segid " " and resid 57 and name HB% )
(( segid " " and resid 54 and name HB3 ))
2.800 1.000 1.000 peak 794 spectrum 1 weight 0.10000E+01 volume 0.31893E-02 ppm1 3.709 ppm2 1.112 CV 1
OR { 794}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 54 and name HB3 ))
ASSI { 801}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 17 and name HB ))
3.100 3.100 2.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.18143E-02 ppm1 3.752 ppm2 3.499 CV 1
OR { 801}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 17 and name HB ))
ASSI { 816}
( segid " " and resid 83 and name HG2%)
(( segid " " and resid 72 and name HA ))
2.000 0.500 0.500 peak 816 spectrum 1 weight 0.10000E+01 volume 0.13991E-01 ppm1 3.878 ppm2 0.780 CV 1
OR { 816}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 72 and name HA ))
ASSI { 830}
( segid " " and resid 95 and name HG2%)
(( segid " " and resid 84 and name HB3 ))
2.600 2.600 3.400 peak 830 spectrum 1 weight 0.10000E+01 volume 0.21422E-02 ppm1 3.988 ppm2 0.838 CV 1
OR { 830}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 84 and name HB3 ))
ASSI { 836}
(( segid " " and resid 14 and name HA1 ))
(( segid " " and resid 19 and name HB2 ))
3.400 1.500 1.500 peak 836 spectrum 1 weight 0.10000E+01 volume 0.10230E-02 ppm1 4.006 ppm2 2.222 CV 1
OR { 836}
( segid " " and resid 86 and name HE% )
(( segid " " and resid 19 and name HB2 ))
OR { 836}
(( segid " " and resid 86 and name HG2 ))
(( segid " " and resid 19 and name HB2 ))
ASSI { 855}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 19 and name HA ))
3.300 1.400 1.400 peak 855 spectrum 1 weight 0.10000E+01 volume 0.17451E-02 ppm1 4.071 ppm2 2.274 CV 1
OR { 855}
(( segid " " and resid 14 and name HA1 ))
(( segid " " and resid 19 and name HA ))
ASSI { 859}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 19 and name HA ))
2.500 0.800 0.800 peak 859 spectrum 1 weight 0.10000E+01 volume 0.49945E-02 ppm1 4.086 ppm2 7.228 CV 1
OR { 859}
(( segid " " and resid 18 and name HZ3 ))
(( segid " " and resid 19 and name HA ))
ASSI { 860}
( segid " " and resid 95 and name HG2%)
(( segid " " and resid 84 and name HB2 ))
3.200 1.300 1.300 peak 860 spectrum 1 weight 0.10000E+01 volume 0.59571E-03 ppm1 4.106 ppm2 0.836 CV 1
OR { 860}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 84 and name HB2 ))
ASSI { 870}
( segid " " and resid 48 and name HG2%)
(( segid " " and resid 48 and name HB ))
1.900 0.400 0.400 peak 870 spectrum 1 weight 0.10000E+01 volume 0.31893E-01 ppm1 4.134 ppm2 1.128 CV 1
OR { 870}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 82 and name HB ))
ASSI { 901}
(( segid " " and resid 110 and name HA ))
(( segid " " and resid 59 and name HA ))
3.200 1.200 1.200 peak 901 spectrum 1 weight 0.10000E+01 volume 0.14532E-02 ppm1 4.208 ppm2 5.297 CV 1
OR { 901}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 59 and name HA ))
ASSI { 905}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 63 and name HA ))
2.100 0.500 0.500 peak 905 spectrum 1 weight 0.10000E+01 volume 0.15977E-01 ppm1 4.228 ppm2 2.010 CV 1
OR { 905}
(( segid " " and resid 63 and name HB3 ))
(( segid " " and resid 63 and name HA ))
OR { 905}
(( segid " " and resid 104 and name HB3 ))
(( segid " " and resid 104 and name HA ))
ASSI { 914}
(( segid " " and resid 104 and name HB2 ))
(( segid " " and resid 104 and name HA ))
2.000 0.500 0.500 peak 914 spectrum 1 weight 0.10000E+01 volume 0.28192E-01 ppm1 4.257 ppm2 2.221 CV 1
OR { 914}
(( segid " " and resid 104 and name HG2 ))
(( segid " " and resid 104 and name HA ))
OR { 914}
(( segid " " and resid 104 and name HG3 ))
(( segid " " and resid 104 and name HA ))
OR { 914}
(( segid " " and resid 63 and name HG2 ))
(( segid " " and resid 63 and name HA ))
ASSI { 917}
( segid " " and resid 75 and name HG1%)
(( segid " " and resid 54 and name HA ))
2.400 0.700 0.700 peak 917 spectrum 1 weight 0.10000E+01 volume 0.83039E-02 ppm1 4.272 ppm2 0.544 CV 1
OR { 917}
( segid " " and resid 72 and name HG1%)
(( segid " " and resid 54 and name HA ))
OR { 917}
( segid " " and resid 72 and name HG1%)
(( segid " " and resid 73 and name HA ))
ASSI { 919}
( segid " " and resid 75 and name HG2%)
(( segid " " and resid 54 and name HA ))
3.300 1.400 1.400 peak 919 spectrum 1 weight 0.10000E+01 volume 0.14532E-02 ppm1 4.276 ppm2 0.811 CV 1
OR { 919}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 22 and name HA ))
OR { 919}
( segid " " and resid 72 and name HG2%)
(( segid " " and resid 54 and name HA ))
ASSI { 920}
( segid " " and resid 57 and name HB% )
(( segid " " and resid 54 and name HA ))
3.800 1.800 1.800 peak 920 spectrum 1 weight 0.10000E+01 volume 0.62279E-03 ppm1 4.277 ppm2 1.101 CV 1
OR { 920}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 54 and name HA ))
OR { 920}
( segid " " and resid 57 and name HB% )
(( segid " " and resid 73 and name HA ))
ASSI { 934}
(( segid " " and resid 89 and name HB3 ))
(( segid " " and resid 89 and name HA ))
2.300 2.300 3.700 peak 934 spectrum 1 weight 0.10000E+01 volume 0.95679E-02 ppm1 4.319 ppm2 3.697 CV 1
OR { 934}
(( segid " " and resid 74 and name HB3 ))
(( segid " " and resid 74 and name HA ))
OR { 934}
(( segid " " and resid 89 and name HB2 ))
(( segid " " and resid 89 and name HA ))
ASSI { 936}
( segid " " and resid 72 and name HG1%)
(( segid " " and resid 74 and name HA ))
3.400 1.400 1.400 peak 936 spectrum 1 weight 0.10000E+01 volume 0.13329E-02 ppm1 4.319 ppm2 0.529 CV 1
OR { 936}
( segid " " and resid 75 and name HG1%)
(( segid " " and resid 74 and name HA ))
ASSI { 940}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 80 and name HA ))
3.000 1.100 1.100 peak 940 spectrum 1 weight 0.10000E+01 volume 0.17541E-02 ppm1 4.342 ppm2 0.857 CV 1
OR { 940}
( segid " " and resid 81 and name HG1%)
(( segid " " and resid 74 and name HA ))
ASSI { 950}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HA ))
2.700 0.900 0.900 peak 950 spectrum 1 weight 0.10000E+01 volume 0.44529E-02 ppm1 4.380 ppm2 3.045 CV 1
OR { 950}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 111 and name HA ))
OR { 950}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 18 and name HA ))
ASSI { 952}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HA ))
2.500 0.800 0.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.36105E-02 ppm1 4.381 ppm2 3.469 CV 1
OR { 952}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 18 and name HA ))
ASSI { 961}
( segid " " and resid 24 and name HG1%)
(( segid " " and resid 24 and name HA ))
2.200 0.600 0.600 peak 961 spectrum 1 weight 0.10000E+01 volume 0.13329E-01 ppm1 4.389 ppm2 0.950 CV 1
OR { 961}
( segid " " and resid 49 and name HG1%)
(( segid " " and resid 111 and name HA ))
ASSI { 981}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 108 and name HA ))
4.100 2.100 1.900 peak 981 spectrum 1 weight 0.10000E+01 volume 0.93271E-03 ppm1 4.585 ppm2 0.915 CV 1
OR { 981}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 47 and name HA ))
ASSI { 1004}
( segid " " and resid 75 and name HG1%)
(( segid " " and resid 81 and name HA ))
3.400 1.400 1.400 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.20730E-02 ppm1 4.688 ppm2 0.531 CV 1
OR { 1004}
( segid " " and resid 72 and name HG1%)
(( segid " " and resid 81 and name HA ))
ASSI { 1005}
(( segid " " and resid 81 and name HB ))
(( segid " " and resid 81 and name HA ))
2.700 0.900 0.900 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.35804E-02 ppm1 4.688 ppm2 1.844 CV 1
OR { 1005}
(( segid " " and resid 75 and name HB ))
(( segid " " and resid 81 and name HA ))
ASSI { 1018}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HA ))
2.300 0.700 0.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.84546E-02 ppm1 4.792 ppm2 2.932 CV 1
OR { 1018}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 76 and name HA ))
ASSI { 1030}
(( segid " " and resid 96 and name HB2 ))
(( segid " " and resid 95 and name HA ))
3.600 3.600 2.400 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.16097E-02 ppm1 4.827 ppm2 4.114 CV 1
OR { 1030}
(( segid " " and resid 94 and name HB2 ))
(( segid " " and resid 95 and name HA ))
ASSI { 1034}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 71 and name HA ))
3.000 1.200 1.200 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.21482E-02 ppm1 4.891 ppm2 1.009 CV 1
OR { 1034}
(( segid " " and resid 58 and name HG13))
(( segid " " and resid 71 and name HA ))
OR { 1034}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 71 and name HA ))
ASSI { 1039}
(( segid " " and resid 60 and name HG3 ))
(( segid " " and resid 60 and name HA ))
3.000 1.100 1.100 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.24972E-02 ppm1 5.000 ppm2 2.347 CV 1
OR { 1039}
(( segid " " and resid 108 and name HB3 ))
(( segid " " and resid 60 and name HA ))
ASSI { 1049}
(( segid " " and resid 109 and name HB2 ))
(( segid " " and resid 109 and name HA ))
2.700 0.900 0.900 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.30689E-02 ppm1 5.024 ppm2 3.073 CV 1
OR { 1049}
(( segid " " and resid 51 and name HB3 ))
(( segid " " and resid 109 and name HA ))
ASSI { 1051}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 109 and name HA ))
3.800 3.800 2.200 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.80937E-03 ppm1 5.030 ppm2 4.708 CV 1
OR { 1051}
(( segid " " and resid 106 and name HA2 ))
(( segid " " and resid 109 and name HA ))
ASSI { 1058}
( segid " " and resid 70 and name HB% )
(( segid " " and resid 85 and name HA ))
3.400 1.400 1.400 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.23589E-02 ppm1 5.145 ppm2 1.334 CV 1
OR { 1058}
(( segid " " and resid 86 and name HB3 ))
(( segid " " and resid 85 and name HA ))
ASSI { 1065}
( segid " " and resid 99 and name HG2%)
(( segid " " and resid 82 and name HA ))
3.200 1.300 1.300 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.23528E-02 ppm1 5.188 ppm2 0.968 CV 1
OR { 1065}
(( segid " " and resid 83 and name HG13))
(( segid " " and resid 82 and name HA ))
ASSI { 1073}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 99 and name HA ))
3.200 1.300 1.300 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.32193E-02 ppm1 5.280 ppm2 1.117 CV 1
OR { 1073}
(( segid " " and resid 100 and name HG13))
(( segid " " and resid 99 and name HA ))
ASSI { 1079}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 110 and name HA ))
4.000 2.000 2.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.94473E-03 ppm1 5.295 ppm2 1.115 CV 1
OR { 1079}
( segid " " and resid 57 and name HB% )
(( segid " " and resid 110 and name HA ))
ASSI { 1082}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 69 and name HA ))
4.000 2.000 2.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.50246E-03 ppm1 5.317 ppm2 1.113 CV 1
OR { 1082}
( segid " " and resid 35 and name HB% )
(( segid " " and resid 69 and name HA ))
ASSI { 1087}
( segid " " and resid 48 and name HG2%)
(( segid " " and resid 49 and name HA ))
3.300 1.400 1.400 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.15314E-02 ppm1 5.469 ppm2 1.145 CV 1
OR { 1087}
( segid " " and resid 57 and name HB% )
(( segid " " and resid 49 and name HA ))
ASSI { 1096}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 83 and name HA ))
3.100 1.200 1.200 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.16217E-02 ppm1 5.638 ppm2 1.129 CV 1
OR { 1096}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 83 and name HA ))
ASSI { 1101}
(( segid " " and resid 112 and name HD2 ))
(( segid " " and resid 51 and name HA ))
2.500 2.500 3.500 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.30689E-02 ppm1 5.723 ppm2 6.870 CV 1
OR { 1101}
(( segid " " and resid 38 and name HZ3 ))
(( segid " " and resid 51 and name HA ))
ASSI { 2}
(( segid " " and resid 32 and name HZ3 ))
(( segid " " and resid 17 and name HA ))
3.900 1.900 1.900 peak 2 spectrum 1 weight 0.10000E+01 volume 0.95406E-03 ppm1 5.893 ppm2 3.240 CV 1
OR { 2}
(( segid " " and resid 32 and name HZ3 ))
(( segid " " and resid 71 and name HB2 ))
OR { 2}
(( segid " " and resid 32 and name HZ3 ))
(( segid " " and resid 42 and name HA ))
ASSI { 21}
( segid " " and resid 21 and name HE% )
(( segid " " and resid 9 and name HA ))
2.700 0.900 0.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.39478E-02 ppm1 6.376 ppm2 3.413 CV 1
OR { 21}
( segid " " and resid 21 and name HE% )
(( segid " " and resid 26 and name HA2 ))
ASSI { 26}
( segid " " and resid 71 and name HE% )
(( segid " " and resid 23 and name HB2 ))
3.100 1.200 1.200 peak 26 spectrum 1 weight 0.10000E+01 volume 0.18235E-02 ppm1 6.644 ppm2 1.117 CV 1
OR { 26}
( segid " " and resid 71 and name HE% )
( segid " " and resid 58 and name HG2%)
ASSI { 31}
( segid " " and resid 71 and name HE% )
(( segid " " and resid 56 and name HA2 ))
3.600 1.600 1.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.52402E-03 ppm1 6.646 ppm2 4.122 CV 1
OR { 31}
( segid " " and resid 71 and name HE% )
(( segid " " and resid 84 and name HB2 ))
ASSI { 33}
( segid " " and resid 71 and name HE% )
(( segid " " and resid 73 and name HG3 ))
3.400 1.500 1.500 peak 33 spectrum 1 weight 0.10000E+01 volume 0.21313E-02 ppm1 6.650 ppm2 2.480 CV 1
OR { 33}
( segid " " and resid 71 and name HE% )
(( segid " " and resid 71 and name HB3 ))
ASSI { 35}
(( segid " " and resid 32 and name HD1 ))
(( segid " " and resid 32 and name HA ))
3.000 1.100 1.100 peak 35 spectrum 1 weight 0.10000E+01 volume 0.23499E-02 ppm1 6.654 ppm2 4.450 CV 1
OR { 35}
(( segid " " and resid 32 and name HD1 ))
(( segid " " and resid 31 and name HA ))
ASSI { 47}
( segid " " and resid 71 and name HD% )
( segid " " and resid 24 and name HG1%)
2.700 0.900 0.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.32898E-02 ppm1 6.724 ppm2 0.964 CV 1
OR { 47}
( segid " " and resid 71 and name HD% )
( segid " " and resid 20 and name HG2%)
ASSI { 59}
(( segid " " and resid 32 and name HH2 ))
(( segid " " and resid 17 and name HB ))
3.600 1.700 1.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.10457E-02 ppm1 6.755 ppm2 3.767 CV 1
OR { 59}
(( segid " " and resid 32 and name HH2 ))
(( segid " " and resid 29 and name HA2 ))
ASSI { 70}
(( segid " " and resid 38 and name HZ3 ))
( segid " " and resid 58 and name HD1%)
2.500 0.800 0.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.73314E-02 ppm1 6.832 ppm2 1.076 CV 1
OR { 70}
(( segid " " and resid 38 and name HZ3 ))
( segid " " and resid 20 and name HG1%)
ASSI { 82}
( segid " " and resid 108 and name HD% )
(( segid " " and resid 104 and name HB2 ))
3.900 1.900 1.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.67909E-03 ppm1 7.073 ppm2 2.188 CV 1
OR { 82}
( segid " " and resid 108 and name HD% )
(( segid " " and resid 60 and name HB2 ))
ASSI { 92}
( segid " " and resid 93 and name HD% )
( segid " " and resid 86 and name HE% )
3.100 1.200 1.200 peak 92 spectrum 1 weight 0.10000E+01 volume 0.13230E-02 ppm1 7.147 ppm2 2.217 CV 1
OR { 92}
( segid " " and resid 93 and name HD% )
(( segid " " and resid 86 and name HG2 ))
OR { 92}
( segid " " and resid 93 and name HD% )
(( segid " " and resid 14 and name HA2 ))
ASSI { 97}
(( segid " " and resid 38 and name HD1 ))
(( segid " " and resid 37 and name HB2 ))
2.900 2.900 3.100 peak 97 spectrum 1 weight 0.10000E+01 volume 0.11303E-02 ppm1 7.187 ppm2 3.572 CV 1
OR { 97}
(( segid " " and resid 38 and name HD1 ))
(( segid " " and resid 66 and name HB2 ))
ASSI { 114}
(( segid " " and resid 38 and name HE3 ))
( segid " " and resid 58 and name HG2%)
3.000 1.100 1.100 peak 114 spectrum 1 weight 0.10000E+01 volume 0.37598E-02 ppm1 7.309 ppm2 1.118 CV 1
OR { 114}
(( segid " " and resid 38 and name HE3 ))
( segid " " and resid 20 and name HG1%)
ASSI { 121}
(( segid " " and resid 18 and name HD1 ))
(( segid " " and resid 18 and name HA ))
3.800 1.800 1.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.63213E-03 ppm1 7.351 ppm2 4.365 CV 1
OR { 121}
(( segid " " and resid 18 and name HD1 ))
(( segid " " and resid 11 and name HA ))
ASSI { 129}
( segid " " and resid 47 and name HD% )
(( segid " " and resid 113 and name HA ))
3.900 1.900 1.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.43473E-03 ppm1 7.697 ppm2 4.294 CV 1
OR { 129}
( segid " " and resid 47 and name HD% )
(( segid " " and resid 43 and name HA ))
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