NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
15350 |
1y03   |
6427 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HN ))
2.800 1.000 1.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.24396E-02 ppm1 4.519 ppm2 8.744 CV 1
ASSI { 3}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 3 and name HN ))
3.300 1.400 1.400 peak 3 spectrum 1 weight 0.10000E+01 volume 0.85579E-03 ppm1 2.612 ppm2 8.743 CV 1
ASSI { 4}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 3 and name HN ))
3.600 1.600 1.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.54134E-03 ppm1 2.557 ppm2 8.743 CV 1
ASSI { 5}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HN ))
3.100 1.200 1.200 peak 5 spectrum 1 weight 0.10000E+01 volume 0.12411E-02 ppm1 2.091 ppm2 8.743 CV 1
ASSI { 6}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 3 and name HN ))
2.600 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.33995E-02 ppm1 2.015 ppm2 8.743 CV 1
ASSI { 7}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HG2 ))
3.700 1.700 1.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.42246E-03 ppm1 4.520 ppm2 2.602 CV 1
ASSI { 8}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HG3 ))
3.200 1.300 1.300 peak 8 spectrum 1 weight 0.10000E+01 volume 0.10025E-02 ppm1 4.524 ppm2 2.544 CV 1
ASSI { 9}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB2 ))
2.900 1.000 1.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.20449E-02 ppm1 4.521 ppm2 2.089 CV 1
ASSI { 10}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB3 ))
2.700 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.28856E-02 ppm1 4.521 ppm2 2.008 CV 1
ASSI { 11}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 3 and name HG3 ))
2.400 0.700 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.55065E-02 ppm1 2.614 ppm2 2.545 CV 1
ASSI { 12}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 3 and name HB2 ))
6.000 4.500 0.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.613 ppm2 2.089 CV 1
ASSI { 13}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 3 and name HB3 ))
6.000 4.500 0.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.613 ppm2 2.008 CV 1
ASSI { 14}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 3 and name HB2 ))
6.000 4.500 0.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.552 ppm2 2.089 CV 1
ASSI { 15}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 3 and name HB3 ))
3.500 1.600 1.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.56461E-03 ppm1 2.552 ppm2 2.008 CV 1
ASSI { 16}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HB3 ))
2.300 0.700 0.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.67408E-02 ppm1 2.095 ppm2 2.008 CV 1
ASSI { 17}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
6.000 4.500 0.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.233 ppm2 8.454 CV 1
ASSI { 18}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HN ))
3.700 1.700 1.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.43177E-03 ppm1 3.220 ppm2 8.454 CV 1
OR { 18}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HN ))
ASSI { 19}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
2.800 1.000 1.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.23338E-02 ppm1 1.840 ppm2 8.454 CV 1
ASSI { 20}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 8 and name HN ))
2.600 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.35139E-02 ppm1 1.708 ppm2 8.454 CV 1
ASSI { 22}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HE ))
2.500 0.800 0.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.43886E-02 ppm1 3.220 ppm2 7.262 CV 1
OR { 22}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HE ))
ASSI { 23}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HE ))
4.500 2.500 1.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.13303E-03 ppm1 4.232 ppm2 7.261 CV 1
ASSI { 24}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HE ))
3.000 1.100 1.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.14419E-02 ppm1 1.838 ppm2 7.261 CV 1
OR { 24}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HE ))
ASSI { 25}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 8 and name HE ))
3.400 1.400 1.400 peak 25 spectrum 1 weight 0.10000E+01 volume 0.71733E-03 ppm1 1.704 ppm2 7.261 CV 1
ASSI { 26}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 8 and name HE ))
3.700 1.700 1.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.41549E-03 ppm1 1.642 ppm2 7.261 CV 1
ASSI { 27}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HD2 ))
3.100 1.200 1.200 peak 27 spectrum 1 weight 0.10000E+01 volume 0.12305E-02 ppm1 4.236 ppm2 3.208 CV 1
OR { 27}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HD3 ))
ASSI { 28}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB3 ))
2.300 0.700 0.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.67941E-02 ppm1 4.239 ppm2 1.828 CV 1
OR { 28}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 30}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HG3 ))
2.400 0.700 0.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.57829E-02 ppm1 4.236 ppm2 1.629 CV 1
ASSI { 31}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HB3 ))
2.300 0.700 0.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 3.217 ppm2 1.830 CV 1
OR { 31}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HB3 ))
OR { 31}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HB2 ))
OR { 31}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 32}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HG2 ))
2.400 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.61087E-02 ppm1 3.218 ppm2 1.695 CV 1
OR { 32}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HG2 ))
ASSI { 33}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HG3 ))
2.300 0.700 0.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.66168E-02 ppm1 3.218 ppm2 1.629 CV 1
OR { 33}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HG3 ))
ASSI { 34}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HG2 ))
2.800 1.000 1.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.23455E-02 ppm1 1.840 ppm2 1.696 CV 1
OR { 34}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HG2 ))
ASSI { 35}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HG3 ))
2.600 0.800 0.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.37728E-02 ppm1 1.840 ppm2 1.629 CV 1
OR { 35}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HG3 ))
ASSI { 36}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 8 and name HG3 ))
6.000 4.500 0.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.709 ppm2 1.629 CV 1
ASSI { 37}
(( segid " " and resid 8 and name HH21))
(( segid " " and resid 8 and name HH12))
1.900 0.500 0.500 peak 37 spectrum 1 weight 0.10000E+01 volume 0.22999E-01 ppm1 6.530 ppm2 6.967 CV 1
ASSI { 39}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 2 and name HN ))
2.700 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.27421E-02 ppm1 3.872 ppm2 8.804 CV 1
OR { 39}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 2 and name HN ))
ASSI { 40}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB3 ))
3.700 1.700 1.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.40666E-03 ppm1 4.501 ppm2 3.860 CV 1
OR { 40}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB2 ))
ASSI { 41}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
2.200 0.600 0.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.86423E-02 ppm1 4.464 ppm2 8.724 CV 1
ASSI { 42}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HN ))
2.300 0.600 0.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.85065E-02 ppm1 2.817 ppm2 8.724 CV 1
ASSI { 43}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HN ))
2.400 0.700 0.700 peak 43 spectrum 1 weight 0.10000E+01 volume 0.60873E-02 ppm1 2.697 ppm2 8.725 CV 1
ASSI { 44}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB3 ))
2.400 0.700 0.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.53252E-02 ppm1 4.466 ppm2 2.684 CV 1
ASSI { 45}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
2.500 0.800 0.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.50886E-02 ppm1 4.467 ppm2 2.806 CV 1
ASSI { 46}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HB3 ))
1.900 0.500 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.21885E-01 ppm1 2.818 ppm2 2.684 CV 1
ASSI { 47}
(( segid " " and resid 8 and name HH22))
(( segid " " and resid 8 and name HE ))
3.200 1.200 1.200 peak 47 spectrum 1 weight 0.10000E+01 volume 0.11170E-02 ppm1 6.530 ppm2 7.261 CV 1
ASSI { 48}
(( segid " " and resid 8 and name HH11))
(( segid " " and resid 8 and name HE ))
3.300 1.300 1.300 peak 48 spectrum 1 weight 0.10000E+01 volume 0.88944E-03 ppm1 6.970 ppm2 7.261 CV 1
OR { 48}
(( segid " " and resid 8 and name HH12))
(( segid " " and resid 8 and name HE ))
ASSI { 49}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
2.600 0.800 0.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.39774E-02 ppm1 4.259 ppm2 8.053 CV 1
ASSI { 50}
(( segid " " and resid 23 and name HE3 ))
( segid " " and resid 23 and name HZ% )
3.000 1.100 1.100 peak 50 spectrum 1 weight 0.10000E+01 volume 0.15582E-02 ppm1 3.024 ppm2 7.765 CV 1
OR { 50}
(( segid " " and resid 23 and name HE2 ))
( segid " " and resid 23 and name HZ% )
ASSI { 51}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
2.200 0.600 0.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.99485E-02 ppm1 2.029 ppm2 8.053 CV 1
ASSI { 52}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.896 ppm2 8.053 CV 1
ASSI { 53}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HN ))
4.200 2.200 1.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.20818E-03 ppm1 1.746 ppm2 8.053 CV 1
ASSI { 54}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HN ))
4.500 2.500 1.500 peak 54 spectrum 1 weight 0.10000E+01 volume 0.13488E-03 ppm1 1.661 ppm2 8.053 CV 1
ASSI { 55}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HN ))
6.000 4.500 0.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.483 ppm2 8.054 CV 1
OR { 55}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HN ))
ASSI { 58}
(( segid " " and resid 23 and name HD2 ))
( segid " " and resid 23 and name HZ% )
3.700 1.700 1.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.43788E-03 ppm1 1.748 ppm2 7.765 CV 1
ASSI { 59}
(( segid " " and resid 23 and name HD3 ))
( segid " " and resid 23 and name HZ% )
3.900 1.900 1.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.34005E-03 ppm1 1.662 ppm2 7.765 CV 1
ASSI { 60}
(( segid " " and resid 23 and name HG2 ))
( segid " " and resid 23 and name HZ% )
3.100 1.200 1.200 peak 60 spectrum 1 weight 0.10000E+01 volume 0.12819E-02 ppm1 1.481 ppm2 7.764 CV 1
OR { 60}
(( segid " " and resid 23 and name HG3 ))
( segid " " and resid 23 and name HZ% )
ASSI { 61}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HE2 ))
3.200 1.300 1.300 peak 61 spectrum 1 weight 0.10000E+01 volume 0.10025E-02 ppm1 4.259 ppm2 3.011 CV 1
OR { 61}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HE3 ))
ASSI { 62}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
2.400 0.700 0.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.51719E-02 ppm1 4.257 ppm2 2.017 CV 1
ASSI { 63}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB3 ))
2.400 0.700 0.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.63520E-02 ppm1 4.257 ppm2 1.883 CV 1
ASSI { 67}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 23 and name HG3 ))
3.200 1.300 1.300 peak 67 spectrum 1 weight 0.10000E+01 volume 0.10753E-02 ppm1 3.020 ppm2 1.475 CV 1
OR { 67}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HG2 ))
OR { 67}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HG3 ))
ASSI { 68}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HD3 ))
3.100 1.200 1.200 peak 68 spectrum 1 weight 0.10000E+01 volume 0.11752E-02 ppm1 3.022 ppm2 1.648 CV 1
OR { 68}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 23 and name HD3 ))
ASSI { 69}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 23 and name HD2 ))
2.600 0.800 0.800 peak 69 spectrum 1 weight 0.10000E+01 volume 0.38688E-02 ppm1 3.022 ppm2 1.734 CV 1
OR { 69}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HD2 ))
ASSI { 70}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HB3 ))
4.300 2.300 1.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.18181E-03 ppm1 3.021 ppm2 1.883 CV 1
OR { 70}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 23 and name HB3 ))
ASSI { 71}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 23 and name HB2 ))
4.300 2.300 1.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.17832E-03 ppm1 3.020 ppm2 2.017 CV 1
OR { 71}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 72}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HB3 ))
2.300 0.700 0.700 peak 72 spectrum 1 weight 0.10000E+01 volume 0.77415E-02 ppm1 2.027 ppm2 1.883 CV 1
ASSI { 73}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HD2 ))
3.100 1.200 1.200 peak 73 spectrum 1 weight 0.10000E+01 volume 0.11442E-02 ppm1 2.026 ppm2 1.738 CV 1
ASSI { 74}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HD2 ))
6.000 4.500 0.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.887 ppm2 1.738 CV 1
ASSI { 75}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HD3 ))
3.100 1.200 1.200 peak 75 spectrum 1 weight 0.10000E+01 volume 0.13148E-02 ppm1 2.026 ppm2 1.650 CV 1
ASSI { 76}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HG3 ))
2.400 0.700 0.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.51488E-02 ppm1 2.026 ppm2 1.475 CV 1
OR { 76}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HG2 ))
ASSI { 77}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HD3 ))
6.000 4.500 0.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.887 ppm2 1.651 CV 1
ASSI { 78}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HG2 ))
2.900 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.20178E-02 ppm1 1.887 ppm2 1.475 CV 1
OR { 78}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HG3 ))
ASSI { 79}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HG3 ))
6.000 4.500 0.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.747 ppm2 1.475 CV 1
OR { 79}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HG2 ))
ASSI { 80}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HD3 ))
6.000 4.500 0.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.747 ppm2 1.651 CV 1
ASSI { 81}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HG2 ))
6.000 4.500 0.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.661 ppm2 1.475 CV 1
OR { 81}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HG3 ))
ASSI { 82}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
2.200 0.600 0.600 peak 82 spectrum 1 weight 0.11000E+01 volume 0.11015E-01 ppm1 4.149 ppm2 8.197 CV 1
ASSI { 83}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.000 0.500 0.500 peak 83 spectrum 1 weight 0.10000E+01 volume 0.16338E-01 ppm1 1.911 ppm2 8.197 CV 1
ASSI { 84}
(( segid " " and resid 22 and name HD3 ))
(( segid " " and resid 22 and name HN ))
2.800 1.000 1.000 peak 84 spectrum 1 weight 0.11000E+01 volume 0.25171E-02 ppm1 1.687 ppm2 8.197 CV 1
OR { 84}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 22 and name HN ))
ASSI { 86}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 22 and name HN ))
2.900 1.000 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.19431E-02 ppm1 1.446 ppm2 8.197 CV 1
ASSI { 87}
(( segid " " and resid 22 and name HD2 ))
( segid " " and resid 22 and name HZ% )
3.500 1.500 1.500 peak 87 spectrum 1 weight 0.10000E+01 volume 0.60961E-03 ppm1 1.689 ppm2 7.655 CV 1
OR { 87}
(( segid " " and resid 22 and name HD3 ))
( segid " " and resid 22 and name HZ% )
ASSI { 91}
(( segid " " and resid 22 and name HE2 ))
( segid " " and resid 22 and name HZ% )
2.700 0.900 0.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.28323E-02 ppm1 2.967 ppm2 7.654 CV 1
OR { 91}
(( segid " " and resid 22 and name HE3 ))
( segid " " and resid 22 and name HZ% )
ASSI { 93}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HE2 ))
3.300 1.400 1.400 peak 93 spectrum 1 weight 0.10000E+01 volume 0.82845E-03 ppm1 4.148 ppm2 2.957 CV 1
OR { 93}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HE3 ))
ASSI { 94}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB3 ))
2.100 0.500 0.500 peak 94 spectrum 1 weight 0.10000E+01 volume 0.14651E-01 ppm1 4.148 ppm2 1.899 CV 1
OR { 94}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB2 ))
ASSI { 95}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HD2 ))
2.400 0.700 0.700 peak 95 spectrum 1 weight 0.11000E+01 volume 0.54454E-02 ppm1 4.148 ppm2 1.678 CV 1
OR { 95}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HD3 ))
ASSI { 96}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HG2 ))
2.900 1.000 1.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.18888E-02 ppm1 4.148 ppm2 1.618 CV 1
ASSI { 97}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HB2 ))
3.000 1.200 1.200 peak 97 spectrum 1 weight 0.10000E+01 volume 0.13924E-02 ppm1 2.969 ppm2 1.901 CV 1
OR { 97}
(( segid " " and resid 22 and name HE2 ))
(( segid " " and resid 22 and name HB2 ))
OR { 97}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HB3 ))
ASSI { 98}
(( segid " " and resid 22 and name HE2 ))
(( segid " " and resid 22 and name HD3 ))
2.600 0.800 0.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.40182E-02 ppm1 2.969 ppm2 1.679 CV 1
OR { 98}
(( segid " " and resid 22 and name HE2 ))
(( segid " " and resid 22 and name HD2 ))
OR { 98}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HD3 ))
OR { 98}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HD2 ))
ASSI { 99}
(( segid " " and resid 22 and name HE2 ))
(( segid " " and resid 22 and name HG2 ))
2.900 1.000 1.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.19654E-02 ppm1 2.969 ppm2 1.618 CV 1
OR { 99}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HG2 ))
ASSI { 100}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HG3 ))
2.800 1.000 1.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.22758E-02 ppm1 2.969 ppm2 1.434 CV 1
OR { 100}
(( segid " " and resid 22 and name HE2 ))
(( segid " " and resid 22 and name HG3 ))
ASSI { 101}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HD3 ))
2.400 0.700 0.700 peak 101 spectrum 1 weight 0.10000E+01 volume 0.51729E-02 ppm1 1.910 ppm2 1.679 CV 1
OR { 101}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HD2 ))
OR { 101}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HD3 ))
ASSI { 102}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HG2 ))
2.600 0.900 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.32424E-02 ppm1 1.910 ppm2 1.619 CV 1
OR { 102}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HG2 ))
ASSI { 103}
(( segid " " and resid 22 and name HD3 ))
(( segid " " and resid 22 and name HG2 ))
6.000 4.500 0.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.687 ppm2 1.619 CV 1
OR { 103}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 22 and name HG2 ))
ASSI { 105}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 22 and name HG3 ))
2.500 0.800 0.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.48452E-02 ppm1 1.687 ppm2 1.434 CV 1
OR { 105}
(( segid " " and resid 22 and name HD3 ))
(( segid " " and resid 22 and name HG3 ))
ASSI { 106}
(( segid " " and resid 22 and name HG2 ))
(( segid " " and resid 22 and name HG3 ))
2.700 0.900 0.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.27925E-02 ppm1 1.628 ppm2 1.434 CV 1
ASSI { 107}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.400 0.700 0.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.56645E-02 ppm1 4.340 ppm2 8.321 CV 1
ASSI { 109}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HN ))
2.500 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.50828E-02 ppm1 1.958 ppm2 8.320 CV 1
ASSI { 110}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HN ))
2.500 0.800 0.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.48685E-02 ppm1 1.855 ppm2 8.320 CV 1
ASSI { 113}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HN ))
4.300 2.300 1.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.18695E-03 ppm1 1.720 ppm2 8.320 CV 1
ASSI { 114}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HN ))
4.300 2.300 1.700 peak 114 spectrum 1 weight 0.10000E+01 volume 0.16910E-03 ppm1 1.664 ppm2 8.320 CV 1
ASSI { 115}
(( segid " " and resid 12 and name HD2 ))
( segid " " and resid 12 and name HZ% )
4.000 2.000 2.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.26588E-03 ppm1 1.720 ppm2 7.723 CV 1
ASSI { 116}
(( segid " " and resid 12 and name HD3 ))
( segid " " and resid 12 and name HZ% )
3.800 1.800 1.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.39144E-03 ppm1 1.664 ppm2 7.723 CV 1
ASSI { 117}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HN ))
3.200 1.300 1.300 peak 117 spectrum 1 weight 0.10000E+01 volume 0.10705E-02 ppm1 1.514 ppm2 8.320 CV 1
ASSI { 118}
(( segid " " and resid 12 and name HG3 ))
(( segid " " and resid 12 and name HN ))
6.000 4.500 0.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.477 ppm2 8.320 CV 1
ASSI { 121}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HE3 ))
3.700 1.700 1.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.42567E-03 ppm1 4.341 ppm2 3.004 CV 1
OR { 121}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HE2 ))
ASSI { 122}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB2 ))
2.300 0.700 0.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.66817E-02 ppm1 4.338 ppm2 1.950 CV 1
ASSI { 123}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB3 ))
2.400 0.700 0.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.65809E-02 ppm1 4.338 ppm2 1.844 CV 1
ASSI { 124}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HD2 ))
3.200 1.300 1.300 peak 124 spectrum 1 weight 0.10000E+01 volume 0.10268E-02 ppm1 4.338 ppm2 1.711 CV 1
ASSI { 125}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HD3 ))
3.200 1.300 1.300 peak 125 spectrum 1 weight 0.10000E+01 volume 0.10889E-02 ppm1 4.338 ppm2 1.653 CV 1
ASSI { 126}
(( segid " " and resid 12 and name HE3 ))
(( segid " " and resid 12 and name HB2 ))
4.700 2.800 1.300 peak 126 spectrum 1 weight 0.10000E+01 volume 0.98126E-04 ppm1 3.012 ppm2 1.949 CV 1
OR { 126}
(( segid " " and resid 12 and name HE2 ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 127}
(( segid " " and resid 12 and name HE3 ))
(( segid " " and resid 12 and name HB3 ))
4.000 2.000 2.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.25598E-03 ppm1 3.012 ppm2 1.844 CV 1
OR { 127}
(( segid " " and resid 12 and name HE2 ))
(( segid " " and resid 12 and name HB3 ))
ASSI { 128}
(( segid " " and resid 12 and name HE3 ))
(( segid " " and resid 12 and name HD2 ))
3.000 1.100 1.100 peak 128 spectrum 1 weight 0.10000E+01 volume 0.16600E-02 ppm1 3.012 ppm2 1.711 CV 1
OR { 128}
(( segid " " and resid 12 and name HE2 ))
(( segid " " and resid 12 and name HD2 ))
ASSI { 129}
(( segid " " and resid 12 and name HE2 ))
(( segid " " and resid 12 and name HD3 ))
2.800 1.000 1.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.23543E-02 ppm1 3.012 ppm2 1.653 CV 1
OR { 129}
(( segid " " and resid 12 and name HE3 ))
(( segid " " and resid 12 and name HD3 ))
ASSI { 130}
(( segid " " and resid 12 and name HE3 ))
(( segid " " and resid 12 and name HG2 ))
2.500 0.800 0.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.49936E-02 ppm1 3.012 ppm2 1.507 CV 1
OR { 130}
(( segid " " and resid 12 and name HE2 ))
(( segid " " and resid 12 and name HG2 ))
ASSI { 131}
(( segid " " and resid 12 and name HE3 ))
(( segid " " and resid 12 and name HG3 ))
3.300 1.400 1.400 peak 131 spectrum 1 weight 0.10000E+01 volume 0.84124E-03 ppm1 3.012 ppm2 1.467 CV 1
OR { 131}
(( segid " " and resid 12 and name HE2 ))
(( segid " " and resid 12 and name HG3 ))
ASSI { 132}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HB3 ))
2.200 0.600 0.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.10075E-01 ppm1 1.956 ppm2 1.843 CV 1
ASSI { 133}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HD2 ))
4.300 2.300 1.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.16900E-03 ppm1 1.958 ppm2 1.710 CV 1
ASSI { 134}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HD3 ))
3.300 1.300 1.300 peak 134 spectrum 1 weight 0.10000E+01 volume 0.92900E-03 ppm1 1.956 ppm2 1.653 CV 1
ASSI { 135}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HG2 ))
2.700 0.900 0.900 peak 135 spectrum 1 weight 0.10000E+01 volume 0.26064E-02 ppm1 1.959 ppm2 1.508 CV 1
ASSI { 136}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HG3 ))
2.600 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.37835E-02 ppm1 1.958 ppm2 1.466 CV 1
ASSI { 137}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HD2 ))
6.000 4.500 0.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.854 ppm2 1.710 CV 1
ASSI { 138}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HD3 ))
6.000 4.500 0.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.854 ppm2 1.654 CV 1
ASSI { 139}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HG2 ))
2.900 1.000 1.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.18995E-02 ppm1 1.854 ppm2 1.508 CV 1
ASSI { 140}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HG3 ))
6.000 4.500 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.854 ppm2 1.467 CV 1
ASSI { 141}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HD3 ))
6.000 4.500 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.716 ppm2 1.654 CV 1
ASSI { 142}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HG2 ))
3.000 1.100 1.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.16533E-02 ppm1 1.716 ppm2 1.508 CV 1
ASSI { 143}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HG3 ))
6.000 4.500 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.716 ppm2 1.466 CV 1
ASSI { 144}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HG3 ))
1.700 0.400 0.500 peak 144 spectrum 1 weight 0.10000E+01 volume 0.46552E-01 ppm1 1.519 ppm2 1.466 CV 1
ASSI { 145}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.255 ppm2 8.071 CV 1
ASSI { 146}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HN ))
2.500 0.800 0.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.46377E-02 ppm1 1.785 ppm2 8.071 CV 1
ASSI { 147}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HN ))
2.800 1.000 1.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.23659E-02 ppm1 1.742 ppm2 8.071 CV 1
ASSI { 148}
(( segid " " and resid 18 and name HG ))
(( segid " " and resid 18 and name HN ))
2.500 0.800 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.48103E-02 ppm1 1.705 ppm2 8.071 CV 1
ASSI { 149}
( segid " " and resid 18 and name HD1%)
(( segid " " and resid 18 and name HN ))
3.000 1.200 1.200 peak 149 spectrum 1 weight 0.10000E+01 volume 0.14186E-02 ppm1 0.956 ppm2 8.071 CV 1
ASSI { 150}
( segid " " and resid 18 and name HD2%)
(( segid " " and resid 18 and name HN ))
3.100 1.200 1.200 peak 150 spectrum 1 weight 0.10000E+01 volume 0.12372E-02 ppm1 0.910 ppm2 8.072 CV 1
ASSI { 151}
( segid " " and resid 18 and name HD1%)
( segid " " and resid 18 and name HD2%)
6.000 4.500 0.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.944 ppm2 0.910 CV 1
ASSI { 152}
(( segid " " and resid 18 and name HG ))
( segid " " and resid 18 and name HD2%)
2.300 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.75766E-02 ppm1 1.704 ppm2 0.909 CV 1
ASSI { 153}
(( segid " " and resid 18 and name HG ))
( segid " " and resid 18 and name HD1%)
2.300 0.700 0.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.68902E-02 ppm1 1.709 ppm2 0.950 CV 1
ASSI { 154}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 18 and name HD1%)
2.800 1.000 1.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.24416E-02 ppm1 1.745 ppm2 0.949 CV 1
ASSI { 155}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 18 and name HD1%)
2.600 0.900 0.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.32831E-02 ppm1 1.784 ppm2 0.950 CV 1
ASSI { 156}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 18 and name HD2%)
2.300 0.700 0.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.67244E-02 ppm1 1.741 ppm2 0.909 CV 1
ASSI { 157}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 18 and name HD2%)
2.800 1.000 1.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.21050E-02 ppm1 1.784 ppm2 0.909 CV 1
ASSI { 158}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 18 and name HD2%)
2.300 0.700 0.700 peak 158 spectrum 1 weight 0.11000E+01 volume 0.67234E-02 ppm1 4.254 ppm2 0.908 CV 1
ASSI { 159}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 18 and name HD1%)
3.000 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.15718E-02 ppm1 4.254 ppm2 0.950 CV 1
ASSI { 160}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
2.400 0.700 0.700 peak 160 spectrum 1 weight 0.10000E+01 volume 0.59467E-02 ppm1 4.254 ppm2 1.772 CV 1
ASSI { 161}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB3 ))
2.300 0.700 0.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.71791E-02 ppm1 4.252 ppm2 1.729 CV 1
ASSI { 162}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HG ))
2.700 0.900 0.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.27537E-02 ppm1 4.252 ppm2 1.693 CV 1
ASSI { 163}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 13 and name HA ))
2.700 0.900 0.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.29525E-02 ppm1 4.343 ppm2 4.209 CV 1
ASSI { 164}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
2.900 1.000 1.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.18878E-02 ppm1 4.221 ppm2 8.417 CV 1
ASSI { 165}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 13 and name HN ))
2.700 0.900 0.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.30155E-02 ppm1 4.347 ppm2 8.417 CV 1
ASSI { 166}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 13 and name HN ))
3.400 1.400 1.400 peak 166 spectrum 1 weight 0.10000E+01 volume 0.76562E-03 ppm1 1.287 ppm2 8.417 CV 1
ASSI { 167}
(( segid " " and resid 13 and name HB ))
( segid " " and resid 13 and name HG2%)
2.000 0.500 0.500 peak 167 spectrum 1 weight 0.10000E+01 volume 0.15543E-01 ppm1 4.341 ppm2 1.275 CV 1
ASSI { 168}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 13 and name HG2%)
2.300 0.600 0.600 peak 168 spectrum 1 weight 0.10000E+01 volume 0.82185E-02 ppm1 4.222 ppm2 1.275 CV 1
ASSI { 169}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
2.300 0.700 0.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.78666E-02 ppm1 4.100 ppm2 8.458 CV 1
ASSI { 170}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.265 ppm2 8.458 CV 1
ASSI { 171}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 24 and name HN ))
2.500 0.800 0.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.42557E-02 ppm1 1.286 ppm2 8.458 CV 1
ASSI { 172}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 24 and name HG2%)
3.200 1.300 1.300 peak 172 spectrum 1 weight 0.10000E+01 volume 0.10375E-02 ppm1 4.104 ppm2 1.276 CV 1
ASSI { 173}
(( segid " " and resid 24 and name HB ))
( segid " " and resid 24 and name HG2%)
2.000 0.500 0.500 peak 173 spectrum 1 weight 0.10000E+01 volume 0.16609E-01 ppm1 4.260 ppm2 1.276 CV 1
ASSI { 174}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HN ))
2.500 0.800 0.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.43226E-02 ppm1 4.699 ppm2 8.545 CV 1
ASSI { 175}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HN ))
2.600 0.900 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.33452E-02 ppm1 2.835 ppm2 8.545 CV 1
ASSI { 176}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HN ))
3.000 1.100 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.14632E-02 ppm1 2.784 ppm2 8.545 CV 1
ASSI { 177}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB3 ))
2.500 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.48918E-02 ppm1 4.699 ppm2 2.775 CV 1
ASSI { 178}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB2 ))
2.400 0.700 0.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.62822E-02 ppm1 4.700 ppm2 2.836 CV 1
ASSI { 179}
(( segid " " and resid 4 and name HD22))
(( segid " " and resid 4 and name HD21))
1.800 0.400 0.400 peak 179 spectrum 1 weight 0.10000E+01 volume 0.37631E-01 ppm1 7.020 ppm2 7.723 CV 1
ASSI { 180}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
2.300 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.74603E-02 ppm1 4.479 ppm2 8.564 CV 1
ASSI { 181}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
2.400 0.700 0.700 peak 181 spectrum 1 weight 0.10000E+01 volume 0.61842E-02 ppm1 2.841 ppm2 8.564 CV 1
ASSI { 182}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HN ))
2.400 0.700 0.700 peak 182 spectrum 1 weight 0.10000E+01 volume 0.60388E-02 ppm1 2.700 ppm2 8.564 CV 1
ASSI { 183}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
2.300 0.700 0.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.71257E-02 ppm1 4.478 ppm2 2.828 CV 1
ASSI { 184}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB3 ))
2.400 0.700 0.700 peak 184 spectrum 1 weight 0.10000E+01 volume 0.56336E-02 ppm1 4.476 ppm2 2.686 CV 1
ASSI { 185}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
2.900 1.100 1.100 peak 185 spectrum 1 weight 0.10000E+01 volume 0.17550E-02 ppm1 4.103 ppm2 7.828 CV 1
ASSI { 186}
( segid " " and resid 35 and name HB% )
(( segid " " and resid 35 and name HN ))
2.600 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.35556E-02 ppm1 1.370 ppm2 7.828 CV 1
ASSI { 187}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 35 and name HB% )
3.300 1.400 1.400 peak 187 spectrum 1 weight 0.10000E+01 volume 0.86122E-03 ppm1 4.105 ppm2 1.359 CV 1
ASSI { 188}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
2.500 0.800 0.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.41160E-02 ppm1 4.145 ppm2 8.033 CV 1
ASSI { 189}
( segid " " and resid 19 and name HB% )
(( segid " " and resid 19 and name HN ))
2.400 0.700 0.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.61164E-02 ppm1 1.524 ppm2 8.033 CV 1
ASSI { 191}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
2.300 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.67457E-02 ppm1 4.245 ppm2 7.949 CV 1
ASSI { 192}
( segid " " and resid 32 and name HB% )
(( segid " " and resid 32 and name HN ))
2.900 1.000 1.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.20411E-02 ppm1 1.458 ppm2 7.948 CV 1
ASSI { 194}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HD2 ))
3.100 1.200 1.200 peak 194 spectrum 1 weight 0.10000E+01 volume 0.12121E-02 ppm1 4.405 ppm2 3.797 CV 1
ASSI { 195}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HD3 ))
3.200 1.300 1.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.11063E-02 ppm1 4.402 ppm2 3.674 CV 1
ASSI { 196}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HD3 ))
1.800 0.400 0.400 peak 196 spectrum 1 weight 0.10000E+01 volume 0.29370E-01 ppm1 3.808 ppm2 3.675 CV 1
ASSI { 197}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB2 ))
2.200 0.600 0.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.11199E-01 ppm1 4.407 ppm2 2.312 CV 1
ASSI { 198}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB3 ))
2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.48462E-02 ppm1 4.407 ppm2 1.889 CV 1
ASSI { 199}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG2 ))
3.000 1.100 1.100 peak 199 spectrum 1 weight 0.10000E+01 volume 0.16019E-02 ppm1 4.407 ppm2 2.053 CV 1
ASSI { 200}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG3 ))
3.100 1.200 1.200 peak 200 spectrum 1 weight 0.10000E+01 volume 0.13468E-02 ppm1 4.407 ppm2 2.002 CV 1
ASSI { 201}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HB2 ))
2.900 1.100 1.100 peak 201 spectrum 1 weight 0.10000E+01 volume 0.18209E-02 ppm1 3.805 ppm2 2.312 CV 1
ASSI { 202}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HB2 ))
3.100 1.200 1.200 peak 202 spectrum 1 weight 0.10000E+01 volume 0.12964E-02 ppm1 3.684 ppm2 2.312 CV 1
ASSI { 203}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HG2 ))
2.400 0.700 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.54037E-02 ppm1 3.808 ppm2 2.053 CV 1
ASSI { 204}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HG2 ))
2.500 0.800 0.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.51041E-02 ppm1 3.684 ppm2 2.053 CV 1
ASSI { 205}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HG3 ))
2.400 0.700 0.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.56345E-02 ppm1 3.806 ppm2 2.002 CV 1
ASSI { 206}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HG3 ))
2.500 0.800 0.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.40423E-02 ppm1 3.684 ppm2 2.002 CV 1
ASSI { 207}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HB3 ))
2.800 1.000 1.000 peak 207 spectrum 1 weight 0.11000E+01 volume 0.22825E-02 ppm1 3.806 ppm2 1.889 CV 1
ASSI { 208}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 6 and name HB3 ))
3.000 1.100 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.15805E-02 ppm1 3.683 ppm2 1.889 CV 1
ASSI { 209}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HG2 ))
2.400 0.700 0.700 peak 209 spectrum 1 weight 0.10000E+01 volume 0.51681E-02 ppm1 2.321 ppm2 2.053 CV 1
ASSI { 210}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HG3 ))
2.400 0.700 0.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.64907E-02 ppm1 2.321 ppm2 2.004 CV 1
ASSI { 211}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HB3 ))
1.800 0.400 0.400 peak 211 spectrum 1 weight 0.10000E+01 volume 0.29778E-01 ppm1 2.321 ppm2 1.892 CV 1
ASSI { 212}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HG3 ))
1.800 0.400 0.400 peak 212 spectrum 1 weight 0.10000E+01 volume 0.32259E-01 ppm1 2.064 ppm2 2.004 CV 1
ASSI { 213}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HB3 ))
2.800 1.000 1.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.21108E-02 ppm1 2.071 ppm2 1.891 CV 1
ASSI { 214}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 6 and name HB3 ))
2.400 0.700 0.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.61678E-02 ppm1 2.010 ppm2 1.892 CV 1
ASSI { 215}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 24 and name HA ))
2.300 0.600 0.600 peak 215 spectrum 1 weight 0.10000E+01 volume 0.84687E-02 ppm1 4.264 ppm2 4.088 CV 1
ASSI { 217}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
2.400 0.700 0.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.57605E-02 ppm1 4.511 ppm2 8.486 CV 1
ASSI { 218}
( segid " " and resid 5 and name HB% )
(( segid " " and resid 5 and name HN ))
2.100 0.600 0.600 peak 218 spectrum 1 weight 0.11000E+01 volume 0.12857E-01 ppm1 1.401 ppm2 8.486 CV 1
ASSI { 219}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 5 and name HB% )
2.100 0.500 0.500 peak 219 spectrum 1 weight 0.10000E+01 volume 0.14447E-01 ppm1 4.511 ppm2 1.390 CV 1
ASSI { 220}
( segid " " and resid 31 and name HB% )
(( segid " " and resid 31 and name HN ))
2.200 0.600 0.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.92182E-02 ppm1 1.453 ppm2 7.996 CV 1
ASSI { 221}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
2.400 0.700 0.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.62531E-02 ppm1 4.224 ppm2 7.996 CV 1
ASSI { 223}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
2.700 0.900 0.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.27499E-02 ppm1 4.248 ppm2 8.171 CV 1
ASSI { 224}
( segid " " and resid 17 and name HB% )
(( segid " " and resid 17 and name HN ))
2.300 0.600 0.600 peak 224 spectrum 1 weight 0.10000E+01 volume 0.81759E-02 ppm1 1.518 ppm2 8.171 CV 1
ASSI { 226}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
6.000 4.500 0.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.254 ppm2 8.349 CV 1
ASSI { 227}
( segid " " and resid 11 and name HB% )
(( segid " " and resid 11 and name HN ))
2.500 0.800 0.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.50169E-02 ppm1 1.443 ppm2 8.348 CV 1
ASSI { 229}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
2.500 0.800 0.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.46203E-02 ppm1 4.324 ppm2 7.916 CV 1
ASSI { 230}
( segid " " and resid 34 and name HB% )
(( segid " " and resid 34 and name HN ))
2.900 1.000 1.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.20032E-02 ppm1 1.436 ppm2 7.916 CV 1
ASSI { 232}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
2.400 0.700 0.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.52922E-02 ppm1 4.288 ppm2 7.905 CV 1
ASSI { 233}
( segid " " and resid 33 and name HB% )
(( segid " " and resid 33 and name HN ))
2.400 0.700 0.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.61252E-02 ppm1 1.452 ppm2 7.905 CV 1
ASSI { 235}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
2.400 0.700 0.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.52641E-02 ppm1 4.231 ppm2 8.019 CV 1
ASSI { 236}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 21 and name HN ))
2.700 0.900 0.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.27537E-02 ppm1 1.543 ppm2 8.019 CV 1
ASSI { 238}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
2.700 0.900 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.28119E-02 ppm1 4.249 ppm2 8.333 CV 1
ASSI { 239}
( segid " " and resid 26 and name HB% )
(( segid " " and resid 26 and name HN ))
2.500 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.50256E-02 ppm1 1.513 ppm2 8.333 CV 1
ASSI { 241}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
2.900 1.100 1.100 peak 241 spectrum 1 weight 0.10000E+01 volume 0.17386E-02 ppm1 4.230 ppm2 8.375 CV 1
ASSI { 242}
( segid " " and resid 10 and name HB% )
(( segid " " and resid 10 and name HN ))
2.800 1.000 1.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.24706E-02 ppm1 1.436 ppm2 8.375 CV 1
ASSI { 244}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
2.700 0.900 0.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.27237E-02 ppm1 4.205 ppm2 8.383 CV 1
ASSI { 245}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 15 and name HN ))
2.500 0.800 0.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.49480E-02 ppm1 1.497 ppm2 8.383 CV 1
ASSI { 247}
( segid " " and resid 30 and name HB% )
(( segid " " and resid 30 and name HN ))
2.500 0.800 0.800 peak 247 spectrum 1 weight 0.10000E+01 volume 0.43245E-02 ppm1 1.493 ppm2 8.078 CV 1
ASSI { 248}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
2.400 0.700 0.700 peak 248 spectrum 1 weight 0.10000E+01 volume 0.62133E-02 ppm1 4.246 ppm2 8.078 CV 1
ASSI { 250}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
2.500 0.800 0.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.42344E-02 ppm1 4.268 ppm2 8.099 CV 1
ASSI { 251}
( segid " " and resid 25 and name HB% )
(( segid " " and resid 25 and name HN ))
2.500 0.800 0.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.46028E-02 ppm1 1.488 ppm2 8.099 CV 1
ASSI { 257}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.500 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.43527E-02 ppm1 4.237 ppm2 8.129 CV 1
ASSI { 258}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 29 and name HN ))
2.600 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.37990E-02 ppm1 1.492 ppm2 8.129 CV 1
ASSI { 260}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
6.000 4.500 0.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.234 ppm2 8.163 CV 1
ASSI { 261}
( segid " " and resid 20 and name HB% )
(( segid " " and resid 20 and name HN ))
2.400 0.700 0.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.65091E-02 ppm1 1.497 ppm2 8.163 CV 1
ASSI { 263}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
2.800 1.000 1.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.23213E-02 ppm1 4.249 ppm2 8.115 CV 1
ASSI { 264}
( segid " " and resid 28 and name HB% )
(( segid " " and resid 28 and name HN ))
2.800 1.000 1.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.21748E-02 ppm1 1.504 ppm2 8.115 CV 1
ASSI { 265}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.50673E-02 ppm1 4.260 ppm2 8.441 CV 1
ASSI { 266}
( segid " " and resid 9 and name HB% )
(( segid " " and resid 9 and name HN ))
2.800 1.000 1.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.22932E-02 ppm1 1.426 ppm2 8.442 CV 1
ASSI { 268}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HN ))
2.800 1.000 1.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.24143E-02 ppm1 4.243 ppm2 8.423 CV 1
ASSI { 269}
( segid " " and resid 7 and name HB% )
(( segid " " and resid 7 and name HN ))
2.600 0.800 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.37030E-02 ppm1 1.422 ppm2 8.422 CV 1
ASSI { 271}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.900 1.000 1.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.19693E-02 ppm1 4.254 ppm2 8.434 CV 1
ASSI { 272}
( segid " " and resid 14 and name HB% )
(( segid " " and resid 14 and name HN ))
2.600 0.900 0.900 peak 272 spectrum 1 weight 0.10000E+01 volume 0.32831E-02 ppm1 1.467 ppm2 8.434 CV 1
ASSI { 274}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 3 and name HN ))
2.600 0.800 0.800 peak 274 spectrum 1 weight 0.10000E+01 volume 0.37796E-02 ppm1 4.501 ppm2 8.744 CV 1
ASSI { 275}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 3 and name HN ))
3.200 1.300 1.300 peak 275 spectrum 1 weight 0.10000E+01 volume 0.10356E-02 ppm1 3.872 ppm2 8.744 CV 1
OR { 275}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 3 and name HN ))
ASSI { 276}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
3.000 1.100 1.100 peak 276 spectrum 1 weight 0.10000E+01 volume 0.15824E-02 ppm1 4.463 ppm2 8.115 CV 1
ASSI { 277}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 28 and name HN ))
2.600 0.900 0.900 peak 277 spectrum 1 weight 0.11000E+01 volume 0.34034E-02 ppm1 2.817 ppm2 8.115 CV 1
ASSI { 278}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 28 and name HN ))
2.500 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.44050E-02 ppm1 2.697 ppm2 8.114 CV 1
ASSI { 279}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HN ))
2.200 0.600 0.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.97253E-02 ppm1 8.126 ppm2 8.724 CV 1
ASSI { 280}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HB3 ))
2.000 0.500 0.500 peak 280 spectrum 1 weight 0.10000E+01 volume 0.15097E-01 ppm1 2.840 ppm2 2.685 CV 1
ASSI { 281}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 17 and name HN ))
2.600 0.800 0.800 peak 281 spectrum 1 weight 0.11000E+01 volume 0.39231E-02 ppm1 2.700 ppm2 8.170 CV 1
ASSI { 282}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
2.700 0.900 0.900 peak 282 spectrum 1 weight 0.11000E+01 volume 0.28720E-02 ppm1 2.841 ppm2 8.170 CV 1
ASSI { 283}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
3.000 1.100 1.100 peak 283 spectrum 1 weight 0.10000E+01 volume 0.15630E-02 ppm1 4.479 ppm2 8.170 CV 1
ASSI { 285}
(( segid " " and resid 3 and name HG2 ))
(( segid " " and resid 4 and name HN ))
4.800 2.900 1.200 peak 285 spectrum 1 weight 0.10000E+01 volume 0.90951E-04 ppm1 2.613 ppm2 8.545 CV 1
ASSI { 286}
(( segid " " and resid 3 and name HG3 ))
(( segid " " and resid 4 and name HN ))
4.700 2.700 1.300 peak 286 spectrum 1 weight 0.10000E+01 volume 0.10695E-03 ppm1 2.557 ppm2 8.545 CV 1
ASSI { 287}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 4 and name HN ))
3.100 1.200 1.200 peak 287 spectrum 1 weight 0.10000E+01 volume 0.12896E-02 ppm1 2.091 ppm2 8.546 CV 1
ASSI { 288}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 4 and name HN ))
3.500 1.500 1.500 peak 288 spectrum 1 weight 0.10000E+01 volume 0.62677E-03 ppm1 2.015 ppm2 8.547 CV 1
ASSI { 289}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HN ))
3.100 1.200 1.200 peak 289 spectrum 1 weight 0.10000E+01 volume 0.11703E-02 ppm1 4.519 ppm2 8.546 CV 1
ASSI { 290}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HN ))
3.400 1.400 1.400 peak 290 spectrum 1 weight 0.10000E+01 volume 0.75718E-03 ppm1 8.558 ppm2 8.744 CV 1
ASSI { 291}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HN ))
2.100 0.600 0.600 peak 291 spectrum 1 weight 0.10000E+01 volume 0.12169E-01 ppm1 4.699 ppm2 8.486 CV 1
ASSI { 292}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 5 and name HN ))
2.800 1.000 1.000 peak 292 spectrum 1 weight 0.11000E+01 volume 0.24396E-02 ppm1 2.838 ppm2 8.486 CV 1
ASSI { 293}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 5 and name HN ))
3.000 1.100 1.100 peak 293 spectrum 1 weight 0.10000E+01 volume 0.16445E-02 ppm1 2.784 ppm2 8.486 CV 1
ASSI { 294}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HD21))
4.100 2.100 1.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.24532E-03 ppm1 4.700 ppm2 7.724 CV 1
ASSI { 295}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HD21))
2.800 1.000 1.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.21448E-02 ppm1 2.837 ppm2 7.725 CV 1
ASSI { 296}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HD21))
3.200 1.300 1.300 peak 296 spectrum 1 weight 0.10000E+01 volume 0.10346E-02 ppm1 2.784 ppm2 7.725 CV 1
ASSI { 297}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HD22))
3.400 1.500 1.500 peak 297 spectrum 1 weight 0.10000E+01 volume 0.69997E-03 ppm1 2.837 ppm2 7.014 CV 1
ASSI { 298}
(( segid " " and resid 4 and name HB3 ))
(( segid " " and resid 4 and name HD22))
3.400 1.500 1.500 peak 298 spectrum 1 weight 0.10000E+01 volume 0.70133E-03 ppm1 2.786 ppm2 7.014 CV 1
ASSI { 299}
(( segid " " and resid 4 and name HD21))
(( segid " " and resid 4 and name HN ))
4.100 2.100 1.900 peak 299 spectrum 1 weight 0.10000E+01 volume 0.25113E-03 ppm1 7.735 ppm2 8.545 CV 1
ASSI { 300}
(( segid " " and resid 4 and name HD22))
(( segid " " and resid 4 and name HN ))
4.100 2.100 1.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.23707E-03 ppm1 7.029 ppm2 8.545 CV 1
ASSI { 301}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HD2 ))
2.900 1.100 1.100 peak 301 spectrum 1 weight 0.10000E+01 volume 0.17037E-02 ppm1 4.511 ppm2 3.797 CV 1
ASSI { 302}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HD3 ))
3.000 1.200 1.200 peak 302 spectrum 1 weight 0.10000E+01 volume 0.13847E-02 ppm1 4.511 ppm2 3.674 CV 1
ASSI { 303}
(( segid " " and resid 6 and name HD2 ))
( segid " " and resid 5 and name HB% )
2.300 0.700 0.700 peak 303 spectrum 1 weight 0.11000E+01 volume 0.71267E-02 ppm1 3.806 ppm2 1.389 CV 1
ASSI { 304}
(( segid " " and resid 6 and name HD3 ))
( segid " " and resid 5 and name HB% )
2.600 0.800 0.800 peak 304 spectrum 1 weight 0.11000E+01 volume 0.39803E-02 ppm1 3.683 ppm2 1.389 CV 1
ASSI { 307}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HN ))
2.600 0.900 0.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.32482E-02 ppm1 4.403 ppm2 8.422 CV 1
ASSI { 308}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 7 and name HN ))
3.400 1.400 1.400 peak 308 spectrum 1 weight 0.10000E+01 volume 0.78190E-03 ppm1 3.805 ppm2 8.422 CV 1
ASSI { 309}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 7 and name HN ))
2.800 1.000 1.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.21894E-02 ppm1 3.687 ppm2 8.422 CV 1
ASSI { 310}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 5 and name HN ))
2.800 1.000 1.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.22980E-02 ppm1 3.805 ppm2 8.486 CV 1
ASSI { 311}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 5 and name HN ))
2.800 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.22670E-02 ppm1 3.687 ppm2 8.486 CV 1
ASSI { 312}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 7 and name HN ))
2.900 1.000 1.000 peak 312 spectrum 1 weight 0.11000E+01 volume 0.19344E-02 ppm1 2.319 ppm2 8.423 CV 1
ASSI { 313}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 7 and name HN ))
3.500 1.500 1.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.60437E-03 ppm1 2.064 ppm2 8.422 CV 1
ASSI { 314}
(( segid " " and resid 6 and name HG3 ))
(( segid " " and resid 7 and name HN ))
3.800 1.800 1.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.39241E-03 ppm1 2.016 ppm2 8.423 CV 1
ASSI { 315}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 7 and name HN ))
3.200 1.300 1.300 peak 315 spectrum 1 weight 0.10000E+01 volume 0.99969E-03 ppm1 1.903 ppm2 8.418 CV 1
ASSI { 316}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
2.500 0.800 0.800 peak 316 spectrum 1 weight 0.11000E+01 volume 0.41073E-02 ppm1 4.242 ppm2 8.454 CV 1
ASSI { 317}
( segid " " and resid 7 and name HB% )
(( segid " " and resid 8 and name HN ))
2.400 0.700 0.700 peak 317 spectrum 1 weight 0.10000E+01 volume 0.60301E-02 ppm1 1.419 ppm2 8.454 CV 1
ASSI { 318}
( segid " " and resid 7 and name HB% )
(( segid " " and resid 8 and name HE ))
3.700 1.800 1.800 peak 318 spectrum 1 weight 0.10000E+01 volume 0.40278E-03 ppm1 1.423 ppm2 7.261 CV 1
ASSI { 320}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
6.000 4.500 0.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.259 ppm2 8.458 CV 1
ASSI { 321}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
2.700 0.900 0.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.25996E-02 ppm1 2.028 ppm2 8.458 CV 1
ASSI { 322}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 24 and name HN ))
2.600 0.800 0.800 peak 322 spectrum 1 weight 0.11000E+01 volume 0.37253E-02 ppm1 1.897 ppm2 8.457 CV 1
ASSI { 323}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 24 and name HN ))
2.900 1.100 1.100 peak 323 spectrum 1 weight 0.10000E+01 volume 0.18607E-02 ppm1 1.486 ppm2 8.458 CV 1
OR { 323}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 24 and name HN ))
ASSI { 324}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 23 and name HN ))
3.800 1.800 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.37583E-03 ppm1 1.286 ppm2 8.053 CV 1
ASSI { 326}
(( segid " " and resid 22 and name HE2 ))
(( segid " " and resid 22 and name HN ))
4.400 2.500 1.600 peak 326 spectrum 1 weight 0.10000E+01 volume 0.14467E-03 ppm1 2.969 ppm2 8.197 CV 1
OR { 326}
(( segid " " and resid 22 and name HE3 ))
(( segid " " and resid 22 and name HN ))
ASSI { 327}
(( segid " " and resid 22 and name HG3 ))
(( segid " " and resid 23 and name HN ))
3.600 1.600 1.600 peak 327 spectrum 1 weight 0.10000E+01 volume 0.50857E-03 ppm1 1.446 ppm2 8.054 CV 1
ASSI { 328}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HN ))
3.400 1.400 1.400 peak 328 spectrum 1 weight 0.10000E+01 volume 0.75796E-03 ppm1 1.911 ppm2 8.054 CV 1
OR { 328}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HN ))
ASSI { 329}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
2.600 0.900 0.900 peak 329 spectrum 1 weight 0.10000E+01 volume 0.33268E-02 ppm1 4.149 ppm2 8.054 CV 1
ASSI { 331}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
3.400 1.500 1.500 peak 331 spectrum 1 weight 0.10000E+01 volume 0.68077E-03 ppm1 4.234 ppm2 8.197 CV 1
ASSI { 332}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 22 and name HN ))
2.300 0.700 0.700 peak 332 spectrum 1 weight 0.10000E+01 volume 0.72179E-02 ppm1 1.543 ppm2 8.197 CV 1
ASSI { 334}
( segid " " and resid 26 and name HB% )
(( segid " " and resid 27 and name HN ))
2.500 0.800 0.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.50673E-02 ppm1 1.513 ppm2 8.724 CV 1
ASSI { 335}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
2.600 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.33947E-02 ppm1 4.249 ppm2 8.724 CV 1
ASSI { 336}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
2.300 0.700 0.700 peak 336 spectrum 1 weight 0.10000E+01 volume 0.73575E-02 ppm1 8.346 ppm2 8.724 CV 1
ASSI { 337}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 26 and name HN ))
3.800 1.800 1.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.37069E-03 ppm1 4.464 ppm2 8.334 CV 1
ASSI { 339}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 26 and name HN ))
4.500 2.600 1.500 peak 339 spectrum 1 weight 0.10000E+01 volume 0.12916E-03 ppm1 2.697 ppm2 8.332 CV 1
ASSI { 340}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
3.000 1.200 1.200 peak 340 spectrum 1 weight 0.10000E+01 volume 0.14030E-02 ppm1 4.105 ppm2 8.099 CV 1
ASSI { 341}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 25 and name HN ))
2.700 0.900 0.900 peak 341 spectrum 1 weight 0.11000E+01 volume 0.29370E-02 ppm1 1.286 ppm2 8.099 CV 1
ASSI { 343}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 26 and name HN ))
3.400 1.500 1.500 peak 343 spectrum 1 weight 0.11000E+01 volume 0.68591E-03 ppm1 1.286 ppm2 8.334 CV 1
ASSI { 344}
( segid " " and resid 25 and name HB% )
(( segid " " and resid 26 and name HN ))
2.900 1.000 1.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.20343E-02 ppm1 1.488 ppm2 8.333 CV 1
ASSI { 345}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
6.000 4.500 0.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.268 ppm2 8.333 CV 1
ASSI { 346}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
2.200 0.600 0.600 peak 346 spectrum 1 weight 0.10000E+01 volume 0.85715E-02 ppm1 8.109 ppm2 8.333 CV 1
ASSI { 347}
( segid " " and resid 18 and name HD2%)
(( segid " " and resid 19 and name HN ))
3.500 1.600 1.600 peak 347 spectrum 1 weight 0.10000E+01 volume 0.56519E-03 ppm1 0.915 ppm2 8.033 CV 1
ASSI { 348}
( segid " " and resid 18 and name HD1%)
(( segid " " and resid 19 and name HN ))
3.600 1.600 1.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.49713E-03 ppm1 0.953 ppm2 8.032 CV 1
ASSI { 349}
(( segid " " and resid 18 and name HG ))
(( segid " " and resid 19 and name HN ))
3.200 1.300 1.300 peak 349 spectrum 1 weight 0.10000E+01 volume 0.96914E-03 ppm1 1.705 ppm2 8.032 CV 1
ASSI { 350}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 19 and name HN ))
3.200 1.300 1.300 peak 350 spectrum 1 weight 0.10000E+01 volume 0.10724E-02 ppm1 1.742 ppm2 8.033 CV 1
ASSI { 351}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 19 and name HN ))
3.300 1.300 1.300 peak 351 spectrum 1 weight 0.10000E+01 volume 0.91154E-03 ppm1 1.785 ppm2 8.033 CV 1
ASSI { 352}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
2.700 0.900 0.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.26596E-02 ppm1 4.255 ppm2 8.032 CV 1
ASSI { 353}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.045 ppm2 8.071 CV 1
ASSI { 354}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 19 and name HN ))
4.800 2.800 1.200 peak 354 spectrum 1 weight 0.10000E+01 volume 0.96283E-04 ppm1 2.841 ppm2 8.033 CV 1
ASSI { 355}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 19 and name HN ))
4.200 2.200 1.800 peak 355 spectrum 1 weight 0.10000E+01 volume 0.20847E-03 ppm1 2.700 ppm2 8.032 CV 1
ASSI { 356}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
2.800 1.000 1.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.25006E-02 ppm1 4.145 ppm2 8.163 CV 1
ASSI { 357}
( segid " " and resid 19 and name HB% )
(( segid " " and resid 20 and name HN ))
3.000 1.100 1.100 peak 357 spectrum 1 weight 0.10000E+01 volume 0.15447E-02 ppm1 1.524 ppm2 8.163 CV 1
ASSI { 359}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 19 and name HN ))
2.800 1.000 1.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.24900E-02 ppm1 4.479 ppm2 8.033 CV 1
ASSI { 360}
( segid " " and resid 20 and name HB% )
(( segid " " and resid 21 and name HN ))
2.600 0.900 0.900 peak 360 spectrum 1 weight 0.10000E+01 volume 0.33268E-02 ppm1 1.497 ppm2 8.019 CV 1
ASSI { 362}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.341 ppm2 8.417 CV 1
ASSI { 363}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 13 and name HN ))
3.100 1.200 1.200 peak 363 spectrum 1 weight 0.10000E+01 volume 0.13662E-02 ppm1 1.958 ppm2 8.418 CV 1
ASSI { 364}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 13 and name HN ))
3.000 1.100 1.100 peak 364 spectrum 1 weight 0.10000E+01 volume 0.16242E-02 ppm1 1.855 ppm2 8.418 CV 1
ASSI { 365}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 13 and name HN ))
4.000 2.000 2.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.27799E-03 ppm1 1.721 ppm2 8.418 CV 1
ASSI { 366}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 13 and name HN ))
4.300 2.300 1.700 peak 366 spectrum 1 weight 0.10000E+01 volume 0.18123E-03 ppm1 1.665 ppm2 8.418 CV 1
ASSI { 367}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 13 and name HN ))
3.700 1.700 1.700 peak 367 spectrum 1 weight 0.10000E+01 volume 0.45107E-03 ppm1 1.514 ppm2 8.417 CV 1
ASSI { 368}
(( segid " " and resid 12 and name HG3 ))
(( segid " " and resid 13 and name HN ))
3.600 1.600 1.600 peak 368 spectrum 1 weight 0.10000E+01 volume 0.48792E-03 ppm1 1.477 ppm2 8.417 CV 1
ASSI { 369}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HN ))
2.800 1.000 1.000 peak 369 spectrum 1 weight 0.11000E+01 volume 0.22592E-02 ppm1 8.333 ppm2 8.417 CV 1
ASSI { 370}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
2.900 1.100 1.100 peak 370 spectrum 1 weight 0.10000E+01 volume 0.16978E-02 ppm1 4.208 ppm2 8.564 CV 1
ASSI { 371}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 16 and name HN ))
2.500 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.48985E-02 ppm1 1.497 ppm2 8.565 CV 1
ASSI { 373}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 14 and name HN ))
2.600 0.800 0.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.38872E-02 ppm1 4.345 ppm2 8.434 CV 1
ASSI { 374}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
2.700 0.900 0.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.26703E-02 ppm1 4.220 ppm2 8.434 CV 1
ASSI { 375}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 14 and name HN ))
3.000 1.100 1.100 peak 375 spectrum 1 weight 0.10000E+01 volume 0.16387E-02 ppm1 1.287 ppm2 8.434 CV 1
ASSI { 376}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.254 ppm2 8.383 CV 1
ASSI { 377}
( segid " " and resid 14 and name HB% )
(( segid " " and resid 15 and name HN ))
2.500 0.800 0.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.46397E-02 ppm1 1.467 ppm2 8.383 CV 1
ASSI { 378}
( segid " " and resid 17 and name HB% )
(( segid " " and resid 18 and name HN ))
2.400 0.700 0.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.51438E-02 ppm1 1.518 ppm2 8.071 CV 1
ASSI { 379}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
6.000 4.500 0.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.248 ppm2 8.071 CV 1
ASSI { 381}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 18 and name HN ))
4.100 2.100 1.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.21894E-03 ppm1 2.841 ppm2 8.073 CV 1
ASSI { 382}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 18 and name HN ))
4.400 2.400 1.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.15834E-03 ppm1 2.700 ppm2 8.073 CV 1
ASSI { 383}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 15 and name HN ))
4.100 2.100 1.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.24589E-03 ppm1 2.841 ppm2 8.383 CV 1
ASSI { 384}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.600 1.600 1.600 peak 384 spectrum 1 weight 0.11000E+01 volume 0.55443E-03 ppm1 2.700 ppm2 8.384 CV 1
ASSI { 385}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
2.800 1.000 1.000 peak 385 spectrum 1 weight 0.11000E+01 volume 0.22176E-02 ppm1 8.008 ppm2 8.078 CV 1
ASSI { 386}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
2.700 0.900 0.900 peak 386 spectrum 1 weight 0.10000E+01 volume 0.29806E-02 ppm1 4.246 ppm2 7.996 CV 1
ASSI { 387}
( segid " " and resid 30 and name HB% )
(( segid " " and resid 31 and name HN ))
3.000 1.100 1.100 peak 387 spectrum 1 weight 0.10000E+01 volume 0.16260E-02 ppm1 1.493 ppm2 7.996 CV 1
ASSI { 388}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
2.400 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.59166E-02 ppm1 4.224 ppm2 7.949 CV 1
ASSI { 389}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
3.300 1.300 1.300 peak 389 spectrum 1 weight 0.10000E+01 volume 0.91658E-03 ppm1 7.957 ppm2 7.996 CV 1
ASSI { 390}
( segid " " and resid 31 and name HB% )
(( segid " " and resid 32 and name HN ))
2.700 0.900 0.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.26325E-02 ppm1 1.453 ppm2 7.948 CV 1
ASSI { 391}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HN ))
6.000 4.500 0.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.917 ppm2 7.948 CV 1
ASSI { 392}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
2.200 0.600 0.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.85783E-02 ppm1 4.245 ppm2 7.905 CV 1
ASSI { 393}
( segid " " and resid 32 and name HB% )
(( segid " " and resid 33 and name HN ))
6.000 4.500 0.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.457 ppm2 7.905 CV 1
ASSI { 394}
( segid " " and resid 34 and name HB% )
(( segid " " and resid 35 and name HN ))
2.800 1.000 1.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.23775E-02 ppm1 1.430 ppm2 7.828 CV 1
ASSI { 395}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
2.500 0.800 0.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.46552E-02 ppm1 4.320 ppm2 7.829 CV 1
ASSI { 397}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
3.200 1.200 1.200 peak 397 spectrum 1 weight 0.10000E+01 volume 0.11277E-02 ppm1 4.288 ppm2 7.916 CV 1
ASSI { 398}
( segid " " and resid 33 and name HB% )
(( segid " " and resid 34 and name HN ))
2.400 0.700 0.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.52534E-02 ppm1 1.452 ppm2 7.916 CV 1
ASSI { 399}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 7 and name HN ))
2.600 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.35294E-02 ppm1 2.837 ppm2 8.419 CV 1
ASSI { 400}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 13 and name HN ))
3.000 1.100 1.100 peak 400 spectrum 1 weight 0.11000E+01 volume 0.15156E-02 ppm1 2.700 ppm2 8.419 CV 1
ASSI { 401}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 24 and name HN ))
4.000 2.000 2.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.25443E-03 ppm1 2.817 ppm2 8.457 CV 1
ASSI { 402}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 24 and name HN ))
4.400 2.400 1.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.16280E-03 ppm1 2.697 ppm2 8.457 CV 1
ASSI { 403}
(( segid " " and resid 22 and name HE2 ))
( segid " " and resid 18 and name HD1%)
3.000 1.100 1.100 peak 403 spectrum 1 weight 0.11000E+01 volume 0.15873E-02 ppm1 2.969 ppm2 0.952 CV 1
OR { 403}
(( segid " " and resid 22 and name HE3 ))
( segid " " and resid 18 and name HD1%)
ASSI { 404}
(( segid " " and resid 22 and name HE2 ))
( segid " " and resid 18 and name HD2%)
2.900 1.000 1.000 peak 404 spectrum 1 weight 0.11000E+01 volume 0.19111E-02 ppm1 2.969 ppm2 0.910 CV 1
OR { 404}
(( segid " " and resid 22 and name HE3 ))
( segid " " and resid 18 and name HD2%)
ASSI { 405}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 28 and name HN ))
3.200 1.200 1.200 peak 405 spectrum 1 weight 0.10000E+01 volume 0.11199E-02 ppm1 4.101 ppm2 8.115 CV 1
ASSI { 406}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HN ))
2.800 1.000 1.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.21632E-02 ppm1 4.100 ppm2 8.724 CV 1
ASSI { 409}
( segid " " and resid 7 and name HB% )
(( segid " " and resid 4 and name HD21))
3.800 1.800 1.800 peak 409 spectrum 1 weight 0.11000E+01 volume 0.36758E-03 ppm1 1.423 ppm2 7.724 CV 1
ASSI { 410}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 4 and name HB3 ))
4.200 2.300 1.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.18986E-03 ppm1 3.687 ppm2 2.782 CV 1
ASSI { 411}
(( segid " " and resid 6 and name HD3 ))
(( segid " " and resid 4 and name HB2 ))
3.400 1.400 1.400 peak 411 spectrum 1 weight 0.10000E+01 volume 0.75137E-03 ppm1 3.686 ppm2 2.829 CV 1
ASSI { 412}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 4 and name HB3 ))
4.300 2.300 1.700 peak 412 spectrum 1 weight 0.10000E+01 volume 0.18006E-03 ppm1 3.803 ppm2 2.781 CV 1
ASSI { 413}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 4 and name HB2 ))
4.700 2.700 1.300 peak 413 spectrum 1 weight 0.10000E+01 volume 0.10511E-03 ppm1 3.803 ppm2 2.829 CV 1
ASSI { 414}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 13 and name HG2%)
3.700 1.700 1.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.43139E-03 ppm1 2.830 ppm2 1.276 CV 1
ASSI { 415}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 13 and name HG2%)
3.300 1.400 1.400 peak 415 spectrum 1 weight 0.10000E+01 volume 0.80595E-03 ppm1 2.699 ppm2 1.275 CV 1
ASSI { 416}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 16 and name HB2 ))
4.600 2.700 1.400 peak 416 spectrum 1 weight 0.10000E+01 volume 0.11228E-03 ppm1 4.337 ppm2 2.831 CV 1
ASSI { 418}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HB2 ))
3.200 1.300 1.300 peak 418 spectrum 1 weight 0.10000E+01 volume 0.10123E-02 ppm1 4.226 ppm2 2.832 CV 1
ASSI { 419}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 27 and name HB2 ))
3.800 1.800 1.800 peak 419 spectrum 1 weight 0.10000E+01 volume 0.38630E-03 ppm1 4.255 ppm2 2.808 CV 1
ASSI { 420}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 27 and name HB3 ))
3.700 1.700 1.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.46435E-03 ppm1 4.255 ppm2 2.686 CV 1
ASSI { 421}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HB3 ))
3.500 1.500 1.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.59700E-03 ppm1 4.224 ppm2 2.690 CV 1
ASSI { 422}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HB2 ))
2.800 1.000 1.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.22989E-02 ppm1 4.099 ppm2 2.807 CV 1
ASSI { 423}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 27 and name HB3 ))
2.600 0.800 0.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.35382E-02 ppm1 4.100 ppm2 2.686 CV 1
ASSI { 424}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 8 and name HB2 ))
3.000 1.100 1.100 peak 424 spectrum 1 weight 0.11000E+01 volume 0.16250E-02 ppm1 4.504 ppm2 1.827 CV 1
ASSI { 426}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 26 and name HN ))
3.900 1.900 1.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.30310E-03 ppm1 4.106 ppm2 8.333 CV 1
ASSI { 427}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 26 and name HN ))
4.000 2.000 2.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.27450E-03 ppm1 4.149 ppm2 8.333 CV 1
ASSI { 429}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 16 and name HN ))
3.700 1.700 1.700 peak 429 spectrum 1 weight 0.10000E+01 volume 0.45524E-03 ppm1 1.285 ppm2 8.564 CV 1
ASSI { 431}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 4 and name HN ))
3.000 1.100 1.100 peak 431 spectrum 1 weight 0.10000E+01 volume 0.16726E-02 ppm1 4.501 ppm2 8.546 CV 1
ASSI { 432}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 8 and name HN ))
3.500 1.500 1.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.60912E-03 ppm1 4.510 ppm2 8.455 CV 1
ASSI { 433}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 10 and name HN ))
3.900 1.900 1.900 peak 433 spectrum 1 weight 0.11000E+01 volume 0.30136E-03 ppm1 4.407 ppm2 8.375 CV 1
ASSI { 434}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HN ))
3.400 1.400 1.400 peak 434 spectrum 1 weight 0.10000E+01 volume 0.76843E-03 ppm1 8.369 ppm2 8.441 CV 1
ASSI { 435}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HN ))
2.800 1.000 1.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.21516E-02 ppm1 1.840 ppm2 8.440 CV 1
OR { 435}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HN ))
ASSI { 436}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
2.900 1.000 1.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.19354E-02 ppm1 4.254 ppm2 8.320 CV 1
ASSI { 438}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
2.900 1.100 1.100 peak 438 spectrum 1 weight 0.10000E+01 volume 0.18249E-02 ppm1 4.230 ppm2 8.349 CV 1
ASSI { 439}
( segid " " and resid 11 and name HB% )
(( segid " " and resid 12 and name HN ))
3.200 1.200 1.200 peak 439 spectrum 1 weight 0.10000E+01 volume 0.11199E-02 ppm1 1.443 ppm2 8.320 CV 1
ASSI { 441}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 15 and name HN ))
6.000 4.500 0.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.341 ppm2 8.383 CV 1
ASSI { 442}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG3 ))
2.300 0.600 0.600 peak 442 spectrum 1 weight 0.10000E+01 volume 0.80178E-02 ppm1 4.340 ppm2 1.476 CV 1
ASSI { 443}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 16 and name HN ))
3.300 1.400 1.400 peak 443 spectrum 1 weight 0.11000E+01 volume 0.87082E-03 ppm1 4.339 ppm2 8.564 CV 1
ASSI { 445}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 30 and name HN ))
3.000 1.200 1.200 peak 445 spectrum 1 weight 0.10000E+01 volume 0.14147E-02 ppm1 4.463 ppm2 8.078 CV 1
ASSI { 446}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 18 and name HN ))
3.700 1.700 1.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.43478E-03 ppm1 4.479 ppm2 8.071 CV 1
ASSI { 447}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 31 and name HN ))
3.400 1.500 1.500 peak 447 spectrum 1 weight 0.11000E+01 volume 0.66226E-03 ppm1 4.466 ppm2 8.000 CV 1
ASSI { 452}
(( segid " " and resid 6 and name HA ))
( segid " " and resid 9 and name HB% )
2.600 0.800 0.800 peak 452 spectrum 1 weight 0.11000E+01 volume 0.36302E-02 ppm1 4.402 ppm2 1.418 CV 1
ASSI { 453}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 20 and name HN ))
3.900 1.900 1.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.31426E-03 ppm1 4.479 ppm2 8.163 CV 1
ASSI { 455}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 22 and name HN ))
3.800 1.800 1.800 peak 455 spectrum 1 weight 0.10000E+01 volume 0.35740E-03 ppm1 4.255 ppm2 8.197 CV 1
ASSI { 456}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 21 and name HN ))
3.600 1.700 1.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.47754E-03 ppm1 4.145 ppm2 8.019 CV 1
ASSI { 457}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 25 and name HN ))
6.000 4.500 0.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.231 ppm2 8.099 CV 1
ASSI { 461}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 27 and name HN ))
4.100 2.100 1.900 peak 461 spectrum 1 weight 0.10000E+01 volume 0.22321E-03 ppm1 4.270 ppm2 8.724 CV 1
ASSI { 462}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 8 and name HE ))
4.200 2.200 1.800 peak 462 spectrum 1 weight 0.10000E+01 volume 0.20983E-03 ppm1 4.511 ppm2 7.260 CV 1
ASSI { 464}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 35 and name HB% )
2.700 0.900 0.900 peak 464 spectrum 1 weight 0.11000E+01 volume 0.29205E-02 ppm1 4.251 ppm2 1.364 CV 1
ASSI { 465}
(( segid " " and resid 4 and name HB2 ))
( segid " " and resid 7 and name HB% )
3.100 1.200 1.200 peak 465 spectrum 1 weight 0.11000E+01 volume 0.12964E-02 ppm1 2.832 ppm2 1.413 CV 1
ASSI { 475}
(( segid " " and resid 6 and name HB2 ))
( segid " " and resid 9 and name HB% )
3.100 1.200 1.200 peak 475 spectrum 1 weight 0.11000E+01 volume 0.12237E-02 ppm1 2.316 ppm2 1.412 CV 1
ASSI { 476}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 27 and name HN ))
3.800 1.800 1.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.37040E-03 ppm1 1.285 ppm2 8.725 CV 1
ASSI { 477}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 17 and name HN ))
3.500 1.500 1.500 peak 477 spectrum 1 weight 0.10000E+01 volume 0.60941E-03 ppm1 1.286 ppm2 8.171 CV 1
ASSI { 478}
( segid " " and resid 18 and name HD2%)
(( segid " " and resid 17 and name HN ))
4.200 2.200 1.800 peak 478 spectrum 1 weight 0.10000E+01 volume 0.20799E-03 ppm1 0.917 ppm2 8.169 CV 1
ASSI { 479}
( segid " " and resid 18 and name HD1%)
(( segid " " and resid 22 and name HN ))
4.200 2.200 1.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.21477E-03 ppm1 0.953 ppm2 8.197 CV 1
ASSI { 480}
( segid " " and resid 18 and name HD2%)
(( segid " " and resid 22 and name HN ))
4.100 2.100 1.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.23882E-03 ppm1 0.917 ppm2 8.197 CV 1
ASSI { 481}
( segid " " and resid 18 and name HD1%)
(( segid " " and resid 17 and name HN ))
4.300 2.300 1.700 peak 481 spectrum 1 weight 0.10000E+01 volume 0.17356E-03 ppm1 0.953 ppm2 8.168 CV 1
ASSI { 482}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 15 and name HN ))
4.000 2.000 2.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.26180E-03 ppm1 1.284 ppm2 8.382 CV 1
ASSI { 483}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 28 and name HN ))
4.000 2.000 2.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.27819E-03 ppm1 1.287 ppm2 8.116 CV 1
ASSI { 484}
( segid " " and resid 18 and name HD1%)
(( segid " " and resid 15 and name HN ))
4.200 2.200 1.800 peak 484 spectrum 1 weight 0.10000E+01 volume 0.21070E-03 ppm1 0.953 ppm2 8.385 CV 1
ASSI { 486}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 35 and name HN ))
3.700 1.700 1.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.42838E-03 ppm1 4.251 ppm2 7.828 CV 1
ASSI { 487}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 15 and name HN ))
3.900 1.900 1.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.29254E-03 ppm1 4.478 ppm2 8.384 CV 1
ASSI { 494}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 20 and name HN ))
4.300 2.300 1.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.17802E-03 ppm1 2.018 ppm2 8.163 CV 1
ASSI { 495}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 20 and name HN ))
3.900 1.900 1.900 peak 495 spectrum 1 weight 0.10000E+01 volume 0.31745E-03 ppm1 1.906 ppm2 8.163 CV 1
OR { 495}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 20 and name HN ))
ASSI { 497}
(( segid " " and resid 18 and name HG ))
(( segid " " and resid 17 and name HN ))
3.200 1.300 1.300 peak 497 spectrum 1 weight 0.10000E+01 volume 0.10782E-02 ppm1 1.706 ppm2 8.167 CV 1
ASSI { 501}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 25 and name HN ))
4.200 2.200 1.800 peak 501 spectrum 1 weight 0.10000E+01 volume 0.20158E-03 ppm1 2.023 ppm2 8.095 CV 1
ASSI { 504}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 21 and name HN ))
4.000 2.000 2.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.28682E-03 ppm1 2.025 ppm2 8.025 CV 1
ASSI { 509}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HB3 ))
1.800 0.400 0.400 peak 509 spectrum 1 weight 0.10000E+01 volume 0.32638E-01 ppm1 2.845 ppm2 2.775 CV 1
ASSI { 513}
(( segid " " and resid 6 and name HA ))
( segid " " and resid 5 and name HB% )
4.200 2.200 1.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.20081E-03 ppm1 4.399 ppm2 1.386 CV 1
ASSI { 514}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 19 and name HB% )
2.300 0.700 0.700 peak 514 spectrum 1 weight 0.10000E+01 volume 0.76271E-02 ppm1 4.474 ppm2 1.513 CV 1
ASSI { 515}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 30 and name HB% )
2.300 0.700 0.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.67922E-02 ppm1 4.468 ppm2 1.483 CV 1
ASSI { 516}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 34 and name HB% )
2.500 0.800 0.800 peak 516 spectrum 1 weight 0.11000E+01 volume 0.46096E-02 ppm1 4.330 ppm2 1.421 CV 1
ASSI { 517}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 19 and name HB% )
2.100 0.500 0.500 peak 517 spectrum 1 weight 0.10000E+01 volume 0.13391E-01 ppm1 4.140 ppm2 1.514 CV 1
ASSI { 518}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 25 and name HB% )
2.400 0.700 0.700 peak 518 spectrum 1 weight 0.10000E+01 volume 0.63239E-02 ppm1 4.153 ppm2 1.482 CV 1
ASSI { 519}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 21 and name HB% )
2.300 0.700 0.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.72353E-02 ppm1 4.230 ppm2 1.534 CV 1
ASSI { 536}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HN ))
2.600 0.800 0.800 peak 536 spectrum 1 weight 0.10000E+01 volume 0.39968E-02 ppm1 8.463 ppm2 8.097 CV 1
ASSI { 537}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HN ))
2.600 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.39774E-02 ppm1 8.464 ppm2 8.055 CV 1
ASSI { 538}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 21 and name HN ))
3.800 1.800 1.800 peak 538 spectrum 1 weight 0.10000E+01 volume 0.38028E-03 ppm1 8.466 ppm2 8.022 CV 1
ASSI { 539}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 22 and name HN ))
3.900 1.900 1.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.31173E-03 ppm1 8.466 ppm2 8.197 CV 1
ASSI { 540}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 13 and name HN ))
3.400 1.400 1.400 peak 540 spectrum 1 weight 0.10000E+01 volume 0.72616E-03 ppm1 8.565 ppm2 8.413 CV 1
ASSI { 541}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HN ))
3.000 1.100 1.100 peak 541 spectrum 1 weight 0.10000E+01 volume 0.14660E-02 ppm1 8.571 ppm2 8.378 CV 1
ASSI { 542}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HN ))
2.400 0.700 0.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.56490E-02 ppm1 8.570 ppm2 8.172 CV 1
ASSI { 543}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 18 and name HN ))
3.300 1.300 1.300 peak 543 spectrum 1 weight 0.10000E+01 volume 0.88507E-03 ppm1 8.570 ppm2 8.076 CV 1
ASSI { 544}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 19 and name HN ))
3.400 1.400 1.400 peak 544 spectrum 1 weight 0.10000E+01 volume 0.71500E-03 ppm1 8.570 ppm2 8.030 CV 1
ASSI { 545}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 30 and name HN ))
3.900 1.900 1.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.32618E-03 ppm1 8.728 ppm2 8.078 CV 1
ASSI { 546}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 24 and name HN ))
4.100 2.100 1.900 peak 546 spectrum 1 weight 0.10000E+01 volume 0.23019E-03 ppm1 8.732 ppm2 8.460 CV 1
ASSI { 547}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
2.500 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.48802E-02 ppm1 8.027 ppm2 8.195 CV 1
ASSI { 548}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HN ))
2.700 0.900 0.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.28071E-02 ppm1 8.061 ppm2 8.197 CV 1
ASSI { 549}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HN ))
2.500 0.800 0.800 peak 549 spectrum 1 weight 0.10000E+01 volume 0.48462E-02 ppm1 8.075 ppm2 8.168 CV 1
ASSI { 550}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HN ))
2.700 0.900 0.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.31668E-02 ppm1 8.010 ppm2 8.164 CV 1
ASSI { 551}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HN ))
2.300 0.700 0.700 peak 551 spectrum 1 weight 0.10000E+01 volume 0.72295E-02 ppm1 8.043 ppm2 8.165 CV 1
ASSI { 555}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 15 and name HN ))
5.200 3.400 0.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.54202E-04 ppm1 8.070 ppm2 8.385 CV 1
ASSI { 561}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HN ))
3.700 1.800 1.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.39909E-03 ppm1 4.146 ppm2 8.099 CV 1
ASSI { 562}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HG3 ))
6.000 4.500 0.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.148 ppm2 1.438 CV 1
ASSI { 563}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 15 and name HB% )
3.900 1.900 1.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.32793E-03 ppm1 4.340 ppm2 1.501 CV 1
ASSI { 565}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 18 and name HD2%)
6.000 4.500 0.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.907 ppm2 0.909 CV 1
OR { 565}
(( segid " " and resid 22 and name HB3 ))
( segid " " and resid 18 and name HD2%)
ASSI { 566}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 18 and name HD1%)
6.000 4.500 0.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.909 ppm2 0.951 CV 1
OR { 566}
(( segid " " and resid 22 and name HB3 ))
( segid " " and resid 18 and name HD1%)
ASSI { 437}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 15 and name HN ))
3.900 1.900 1.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.33375E-03 ppm1 4.340 ppm2 8.375 CV 1
OR { 437}
(( segid " " and resid 13 and name HB ))
(( segid " " and resid 15 and name HN ))
ASSI { 463}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 17 and name HB% )
2.900 1.100 1.100 peak 463 spectrum 1 weight 0.10000E+01 volume 0.18384E-02 ppm1 2.828 ppm2 1.507 CV 1
OR { 463}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 26 and name HB% )
OR { 463}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 30 and name HB% )
OR { 463}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 28 and name HB% )
ASSI { 490}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 10 and name HN ))
4.100 2.200 1.900 peak 490 spectrum 1 weight 0.10000E+01 volume 0.21730E-03 ppm1 1.958 ppm2 8.379 CV 1
OR { 490}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 15 and name HN ))
ASSI { 491}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 10 and name HN ))
3.500 1.500 1.500 peak 491 spectrum 1 weight 0.10000E+01 volume 0.58604E-03 ppm1 1.848 ppm2 8.379 CV 1
OR { 491}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 10 and name HN ))
OR { 491}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 15 and name HN ))
ASSI { 496}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.600 1.700 1.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.47104E-03 ppm1 1.781 ppm2 8.167 CV 1
OR { 496}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 20 and name HN ))
ASSI { 499}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 21 and name HN ))
3.000 1.100 1.100 peak 499 spectrum 1 weight 0.10000E+01 volume 0.14544E-02 ppm1 1.900 ppm2 8.024 CV 1
OR { 499}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 19 and name HN ))
OR { 499}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 21 and name HN ))
ASSI { 500}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 25 and name HN ))
4.300 2.400 1.700 peak 500 spectrum 1 weight 0.10000E+01 volume 0.16387E-03 ppm1 1.895 ppm2 8.092 CV 1
OR { 500}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 25 and name HN ))
OR { 500}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 25 and name HN ))
ASSI { 506}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 8 and name HD3 ))
4.000 2.000 2.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.28973E-03 ppm1 4.510 ppm2 3.207 CV 1
OR { 506}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 8 and name HD2 ))
OR { 506}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 8 and name HD2 ))
ASSI { 510}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 15 and name HB% )
3.000 1.100 1.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.14942E-02 ppm1 2.694 ppm2 1.484 CV 1
OR { 510}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 30 and name HB% )
OR { 510}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 23 and name HG2 ))
ASSI { 511}
( segid " " and resid 17 and name HB% )
( segid " " and resid 18 and name HD2%)
2.800 1.000 1.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.25229E-02 ppm1 1.510 ppm2 0.910 CV 1
OR { 511}
( segid " " and resid 15 and name HB% )
( segid " " and resid 18 and name HD2%)
ASSI { 512}
( segid " " and resid 15 and name HB% )
( segid " " and resid 18 and name HD1%)
2.600 0.900 0.900 peak 512 spectrum 1 weight 0.10000E+01 volume 0.32948E-02 ppm1 1.511 ppm2 0.949 CV 1
OR { 512}
( segid " " and resid 17 and name HB% )
( segid " " and resid 18 and name HD1%)
OR { 512}
( segid " " and resid 19 and name HB% )
( segid " " and resid 18 and name HD1%)
ASSI { 520}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 17 and name HB% )
1.900 0.400 0.400 peak 520 spectrum 1 weight 0.10000E+01 volume 0.25385E-01 ppm1 4.243 ppm2 1.513 CV 1
OR { 520}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 26 and name HB% )
OR { 520}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 28 and name HB% )
ASSI { 521}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HB% )
1.800 0.400 0.400 peak 521 spectrum 1 weight 0.10000E+01 volume 0.32647E-01 ppm1 4.253 ppm2 1.479 CV 1
OR { 521}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 30 and name HB% )
OR { 521}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HG3 ))
ASSI { 522}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 9 and name HB% )
1.900 0.500 0.500 peak 522 spectrum 1 weight 0.10000E+01 volume 0.21545E-01 ppm1 4.254 ppm2 1.414 CV 1
OR { 522}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 7 and name HB% )
ASSI { 526}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 10 and name HB% )
1.800 0.400 0.400 peak 526 spectrum 1 weight 0.10000E+01 volume 0.34577E-01 ppm1 4.226 ppm2 1.441 CV 1
OR { 526}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 31 and name HB% )
ASSI { 534}
(( segid " " and resid 6 and name HB3 ))
( segid " " and resid 7 and name HB% )
3.100 1.200 1.200 peak 534 spectrum 1 weight 0.10000E+01 volume 0.12984E-02 ppm1 1.885 ppm2 1.430 CV 1
OR { 534}
(( segid " " and resid 6 and name HB3 ))
( segid " " and resid 9 and name HB% )
ASSI { 535}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 23 and name HG2 ))
3.100 1.200 1.200 peak 535 spectrum 1 weight 0.10000E+01 volume 0.13614E-02 ppm1 2.827 ppm2 1.482 CV 1
OR { 535}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 30 and name HB% )
OR { 535}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 23 and name HG3 ))
OR { 535}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 12 and name HG3 ))
ASSI { 568}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 28 and name HB% )
3.200 1.300 1.300 peak 568 spectrum 1 weight 0.10000E+01 volume 0.95566E-03 ppm1 2.694 ppm2 1.507 CV 1
OR { 568}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 15 and name HB% )
OR { 568}
(( segid " " and resid 27 and name HB3 ))
( segid " " and resid 30 and name HB% )
OR { 568}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 17 and name HB% )
Contact the webmaster for help, if required. Saturday, May 11, 2024 8:41:57 AM GMT (wattos1)