NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
13944 |
1w9n   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 8 and name HN ))
3.100 1.200 1.200 peak 1 spectrum 1 weight 0.11000E+01 volume 0.18064E-02 ppm1 9.767 ppm2 9.223 CV 1
ASSI { 1}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HN ))
3.100 1.200 1.200 peak 1 spectrum 1 weight 0.11000E+01 volume 0.76830E-03 ppm1 9.767 ppm2 8.516 CV 1
ASSI { 2}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HN ))
4.900 3.000 1.100 peak 2 spectrum 1 weight 0.11000E+01 volume 0.49064E-03 ppm1 9.685 ppm2 8.606 CV 1
ASSI { 3}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 29 and name HN ))
3.300 1.300 1.300 peak 3 spectrum 1 weight 0.11000E+01 volume 0.19443E-02 ppm1 9.684 ppm2 7.830 CV 1
ASSI { 5}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
2.500 0.800 0.800 peak 5 spectrum 1 weight 0.11000E+01 volume 0.54154E-02 ppm1 9.582 ppm2 7.692 CV 1
ASSI { 6}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
3.200 1.200 1.200 peak 6 spectrum 1 weight 0.11000E+01 volume 0.27151E-02 ppm1 9.224 ppm2 7.898 CV 1
ASSI { 11}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HN ))
4.500 2.600 1.500 peak 11 spectrum 1 weight 0.11000E+01 volume 0.13563E-02 ppm1 8.733 ppm2 7.333 CV 1
ASSI { 12}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
1.800 0.400 0.400 peak 12 spectrum 1 weight 0.11000E+01 volume 0.56137E-02 ppm1 8.758 ppm2 7.991 CV 1
ASSI { 13}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HN ))
2.900 1.100 1.100 peak 13 spectrum 1 weight 0.11000E+01 volume 0.13130E-02 ppm1 8.759 ppm2 8.047 CV 1
ASSI { 16}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
4.000 2.000 2.000 peak 16 spectrum 1 weight 0.11000E+01 volume 0.24473E-02 ppm1 8.733 ppm2 8.607 CV 1
ASSI { 17}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HN ))
3.200 1.300 1.300 peak 17 spectrum 1 weight 0.11000E+01 volume 0.19019E-02 ppm1 8.516 ppm2 8.281 CV 1
ASSI { 20}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HN ))
3.600 1.600 1.600 peak 20 spectrum 1 weight 0.11000E+01 volume 0.31911E-02 ppm1 8.267 ppm2 8.035 CV 1
ASSI { 21}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
3.500 1.500 1.500 peak 21 spectrum 1 weight 0.11000E+01 volume 0.10239E-02 ppm1 8.209 ppm2 8.006 CV 1
ASSI { 24}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HN ))
4.000 2.000 2.000 peak 24 spectrum 1 weight 0.11000E+01 volume 0.14765E-02 ppm1 8.007 ppm2 7.825 CV 1
ASSI { 28}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB1 ))
3.400 1.400 1.400 peak 28 spectrum 1 weight 0.11000E+01 volume 0.11868E-02 ppm1 9.891 ppm2 5.486 CV 1
ASSI { 29}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB2 ))
3.300 1.400 1.400 peak 29 spectrum 1 weight 0.11000E+01 volume 0.14042E-02 ppm1 8.255 ppm2 5.562 CV 1
ASSI { 32}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 19 and name HN ))
3.200 1.300 1.300 peak 32 spectrum 1 weight 0.11000E+01 volume 0.12745E-02 ppm1 7.213 ppm2 8.045 CV 1
ASSI { 36}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
3.800 1.800 1.800 peak 36 spectrum 1 weight 0.11000E+01 volume 0.18000E-02 ppm1 7.899 ppm2 8.269 CV 1
ASSI { 38}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HN ))
3.500 1.500 1.500 peak 38 spectrum 1 weight 0.11000E+01 volume 0.32958E-02 ppm1 8.059 ppm2 8.391 CV 1
ASSI { 39}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
2.800 1.000 1.000 peak 39 spectrum 1 weight 0.11000E+01 volume 0.25923E-02 ppm1 8.398 ppm2 8.661 CV 1
ASSI { 41}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
3.600 1.600 1.600 peak 41 spectrum 1 weight 0.11000E+01 volume 0.30207E-02 ppm1 8.046 ppm2 8.659 CV 1
ASSI { 45}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
3.500 1.600 1.600 peak 45 spectrum 1 weight 0.11000E+01 volume 0.11089E-02 ppm1 7.993 ppm2 9.582 CV 1
ASSI { 48}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
3.300 1.300 1.300 peak 48 spectrum 1 weight 0.11000E+01 volume 0.17708E-02 ppm1 7.692 ppm2 9.118 CV 1
ASSI { 49}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HN ))
2.800 1.000 1.000 peak 49 spectrum 1 weight 0.11000E+01 volume 0.45283E-02 ppm1 7.333 ppm2 9.119 CV 1
ASSI { 51}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 27 and name HN ))
3.400 1.400 1.400 peak 51 spectrum 1 weight 0.11000E+01 volume 0.70158E-03 ppm1 7.270 ppm2 8.606 CV 1
ASSI { 52}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 20 and name HN ))
3.000 1.100 1.100 peak 52 spectrum 1 weight 0.11000E+01 volume 0.26326E-02 ppm1 7.212 ppm2 8.757 CV 1
ASSI { 59}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HA ))
2.700 0.900 0.900 peak 59 spectrum 1 weight 0.11000E+01 volume 0.30923E-02 ppm1 9.893 ppm2 4.313 CV 1
ASSI { 60}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
2.500 0.800 0.800 peak 60 spectrum 1 weight 0.11000E+01 volume 0.95830E-02 ppm1 9.767 ppm2 4.360 CV 1
ASSI { 61}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
2.400 0.700 0.700 peak 61 spectrum 1 weight 0.11000E+01 volume 0.18411E-01 ppm1 9.581 ppm2 4.558 CV 1
ASSI { 62}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA ))
2.300 0.600 0.600 peak 62 spectrum 1 weight 0.11000E+01 volume 0.88813E-02 ppm1 9.685 ppm2 4.675 CV 1
ASSI { 63}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB1 ))
3.600 1.600 1.600 peak 63 spectrum 1 weight 0.11000E+01 volume 0.15679E-02 ppm1 9.684 ppm2 3.113 CV 1
OR { 63}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB2 ))
ASSI { 64}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB2 ))
4.000 2.000 2.000 peak 64 spectrum 1 weight 0.11000E+01 volume 0.12250E-02 ppm1 9.118 ppm2 3.516 CV 1
ASSI { 65}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA1 ))
2.900 1.100 1.100 peak 65 spectrum 1 weight 0.11000E+01 volume 0.64387E-02 ppm1 9.117 ppm2 3.735 CV 1
ASSI { 67}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB1 ))
4.000 2.000 2.000 peak 67 spectrum 1 weight 0.11000E+01 volume 0.20502E-02 ppm1 9.118 ppm2 2.738 CV 1
ASSI { 68}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB1 ))
3.300 1.400 1.400 peak 68 spectrum 1 weight 0.11000E+01 volume 0.36911E-02 ppm1 8.734 ppm2 3.066 CV 1
ASSI { 69}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB2 ))
2.700 0.900 0.900 peak 69 spectrum 1 weight 0.11000E+01 volume 0.29741E-02 ppm1 8.736 ppm2 3.187 CV 1
ASSI { 70}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB2 ))
3.500 1.600 1.600 peak 70 spectrum 1 weight 0.11000E+01 volume 0.26259E-02 ppm1 8.734 ppm2 3.360 CV 1
ASSI { 71}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA1 ))
2.500 0.800 0.800 peak 71 spectrum 1 weight 0.11000E+01 volume 0.79757E-02 ppm1 8.660 ppm2 3.817 CV 1
ASSI { 72}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA ))
2.100 0.600 0.600 peak 72 spectrum 1 weight 0.11000E+01 volume 0.10820E-01 ppm1 8.734 ppm2 3.939 CV 1
ASSI { 73}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA2 ))
2.600 0.900 0.900 peak 73 spectrum 1 weight 0.11000E+01 volume 0.70395E-02 ppm1 8.660 ppm2 3.984 CV 1
ASSI { 74}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
2.400 0.700 0.700 peak 74 spectrum 1 weight 0.11000E+01 volume 0.12489E-01 ppm1 8.660 ppm2 4.240 CV 1
ASSI { 76}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
2.500 0.800 0.800 peak 76 spectrum 1 weight 0.11000E+01 volume 0.47792E-02 ppm1 8.758 ppm2 4.682 CV 1
ASSI { 77}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA ))
2.800 0.900 0.900 peak 77 spectrum 1 weight 0.11000E+01 volume 0.47667E-02 ppm1 8.735 ppm2 4.695 CV 1
ASSI { 79}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
2.600 0.900 0.900 peak 79 spectrum 1 weight 0.11000E+01 volume 0.95991E-02 ppm1 8.398 ppm2 4.477 CV 1
ASSI { 80}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
2.500 0.800 0.800 peak 80 spectrum 1 weight 0.11000E+01 volume 0.52297E-02 ppm1 8.394 ppm2 4.397 CV 1
ASSI { 81}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA ))
2.700 0.900 0.900 peak 81 spectrum 1 weight 0.11000E+01 volume 0.38749E-02 ppm1 8.515 ppm2 4.361 CV 1
ASSI { 82}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HA ))
3.100 1.200 1.200 peak 82 spectrum 1 weight 0.11000E+01 volume 0.15082E-02 ppm1 8.329 ppm2 4.314 CV 1
ASSI { 83}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
2.100 0.600 0.600 peak 83 spectrum 1 weight 0.11000E+01 volume 0.10629E-01 ppm1 8.398 ppm2 4.242 CV 1
ASSI { 84}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
2.100 0.600 0.600 peak 84 spectrum 1 weight 0.11000E+01 volume 0.12608E-01 ppm1 8.385 ppm2 4.208 CV 1
ASSI { 85}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
2.300 0.700 0.700 peak 85 spectrum 1 weight 0.11000E+01 volume 0.72519E-02 ppm1 8.392 ppm2 4.105 CV 1
ASSI { 86}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
2.800 1.000 1.000 peak 86 spectrum 1 weight 0.11000E+01 volume 0.52435E-02 ppm1 8.384 ppm2 3.995 CV 1
ASSI { 87}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA ))
2.100 0.500 0.500 peak 87 spectrum 1 weight 0.11000E+01 volume 0.11247E-01 ppm1 8.516 ppm2 4.079 CV 1
ASSI { 88}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB2 ))
2.400 0.700 0.700 peak 88 spectrum 1 weight 0.11000E+01 volume 0.82624E-02 ppm1 8.606 ppm2 3.112 CV 1
OR { 88}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB1 ))
ASSI { 89}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB2 ))
3.900 1.900 1.900 peak 89 spectrum 1 weight 0.11000E+01 volume 0.11152E-02 ppm1 8.606 ppm2 3.186 CV 1
ASSI { 92}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 6 and name HA ))
2.800 1.000 1.000 peak 92 spectrum 1 weight 0.11000E+01 volume 0.67081E-03 ppm1 9.224 ppm2 4.359 CV 1
ASSI { 93}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB1 ))
3.300 1.400 1.400 peak 93 spectrum 1 weight 0.11000E+01 volume 0.16221E-02 ppm1 8.733 ppm2 2.499 CV 1
ASSI { 96}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 23 and name HN ))
4.400 2.400 1.600 peak 96 spectrum 1 weight 0.11000E+01 volume 0.38542E-03 ppm1 7.333 ppm2 7.697 CV 1
ASSI { 98}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB1 ))
4.400 2.400 1.600 peak 98 spectrum 1 weight 0.11000E+01 volume 0.32621E-03 ppm1 8.256 ppm2 5.490 CV 1
ASSI { 99}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB2 ))
3.700 1.700 1.700 peak 99 spectrum 1 weight 0.11000E+01 volume 0.11122E-02 ppm1 9.766 ppm2 1.888 CV 1
ASSI { 101}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB1 ))
2.400 0.700 0.700 peak 101 spectrum 1 weight 0.11000E+01 volume 0.11006E-02 ppm1 9.583 ppm2 1.532 CV 1
ASSI { 103}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 22 and name HG2%)
3.000 1.200 1.200 peak 103 spectrum 1 weight 0.11000E+01 volume 0.21828E-02 ppm1 9.581 ppm2 1.339 CV 1
ASSI { 104}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 21 and name HD2%)
4.500 2.600 1.500 peak 104 spectrum 1 weight 0.11000E+01 volume 0.13287E-02 ppm1 9.582 ppm2 0.922 CV 1
ASSI { 105}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 6 and name HB2 ))
3.200 1.300 1.300 peak 105 spectrum 1 weight 0.11000E+01 volume 0.31310E-03 ppm1 9.224 ppm2 1.893 CV 1
ASSI { 107}
(( segid " " and resid 8 and name HN ))
( segid " " and resid 5 and name HG1%)
3.400 1.400 1.400 peak 107 spectrum 1 weight 0.11000E+01 volume 0.21088E-03 ppm1 9.223 ppm2 0.851 CV 1
ASSI { 108}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 20 and name HG2%)
3.500 1.600 1.600 peak 108 spectrum 1 weight 0.11000E+01 volume 0.27973E-02 ppm1 8.756 ppm2 0.549 CV 1
ASSI { 109}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB2 ))
3.400 1.500 1.500 peak 109 spectrum 1 weight 0.11000E+01 volume 0.13772E-02 ppm1 8.661 ppm2 1.830 CV 1
ASSI { 110}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB1 ))
4.000 2.000 2.000 peak 110 spectrum 1 weight 0.11000E+01 volume 0.88339E-03 ppm1 8.660 ppm2 1.777 CV 1
ASSI { 111}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB1 ))
5.200 3.400 0.800 peak 111 spectrum 1 weight 0.11000E+01 volume 0.41712E-03 ppm1 8.757 ppm2 2.936 CV 1
ASSI { 112}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB2 ))
2.400 0.700 0.700 peak 112 spectrum 1 weight 0.11000E+01 volume 0.24362E-02 ppm1 8.757 ppm2 3.196 CV 1
ASSI { 113}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB ))
3.700 1.700 1.700 peak 113 spectrum 1 weight 0.11000E+01 volume 0.42688E-03 ppm1 8.757 ppm2 3.293 CV 1
ASSI { 114}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB1 ))
2.700 0.900 0.900 peak 114 spectrum 1 weight 0.11000E+01 volume 0.14716E-02 ppm1 8.604 ppm2 3.064 CV 1
ASSI { 115}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
2.400 0.700 0.700 peak 115 spectrum 1 weight 0.11000E+01 volume 0.64558E-02 ppm1 8.283 ppm2 4.084 CV 1
ASSI { 116}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
2.200 0.600 0.600 peak 116 spectrum 1 weight 0.11000E+01 volume 0.13796E-01 ppm1 8.269 ppm2 4.102 CV 1
ASSI { 117}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA ))
3.300 1.400 1.400 peak 117 spectrum 1 weight 0.11000E+01 volume 0.10266E-02 ppm1 8.208 ppm2 4.096 CV 1
ASSI { 118}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
2.300 0.700 0.700 peak 118 spectrum 1 weight 0.11000E+01 volume 0.86074E-02 ppm1 8.269 ppm2 4.184 CV 1
ASSI { 119}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
2.000 0.500 0.500 peak 119 spectrum 1 weight 0.11000E+01 volume 0.14153E-01 ppm1 8.283 ppm2 4.158 CV 1
ASSI { 120}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
2.300 0.700 0.700 peak 120 spectrum 1 weight 0.11000E+01 volume 0.82262E-02 ppm1 8.255 ppm2 4.163 CV 1
ASSI { 121}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB ))
3.000 1.100 1.100 peak 121 spectrum 1 weight 0.11000E+01 volume 0.40114E-02 ppm1 8.283 ppm2 2.018 CV 1
ASSI { 122}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB ))
3.000 1.200 1.200 peak 122 spectrum 1 weight 0.11000E+01 volume 0.57693E-02 ppm1 8.255 ppm2 1.872 CV 1
ASSI { 123}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB ))
2.700 0.900 0.900 peak 123 spectrum 1 weight 0.11000E+01 volume 0.29417E-02 ppm1 8.283 ppm2 1.871 CV 1
ASSI { 124}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB2 ))
3.400 1.500 1.500 peak 124 spectrum 1 weight 0.11000E+01 volume 0.26884E-02 ppm1 8.268 ppm2 1.804 CV 1
ASSI { 125}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HD1 ))
3.700 1.700 1.700 peak 125 spectrum 1 weight 0.11000E+01 volume 0.43770E-02 ppm1 8.268 ppm2 1.741 CV 1
OR { 125}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HD2 ))
ASSI { 126}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HB1 ))
4.500 2.600 1.500 peak 126 spectrum 1 weight 0.11000E+01 volume 0.89257E-03 ppm1 8.209 ppm2 1.680 CV 1
ASSI { 127}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB2 ))
2.500 0.800 0.800 peak 127 spectrum 1 weight 0.11000E+01 volume 0.63871E-02 ppm1 8.398 ppm2 1.830 CV 1
ASSI { 129}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG2 ))
3.200 1.300 1.300 peak 129 spectrum 1 weight 0.11000E+01 volume 0.52030E-02 ppm1 8.393 ppm2 1.643 CV 1
ASSI { 130}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG ))
2.300 0.700 0.700 peak 130 spectrum 1 weight 0.11000E+01 volume 0.42484E-02 ppm1 8.383 ppm2 1.539 CV 1
ASSI { 133}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG1 ))
3.300 1.400 1.400 peak 133 spectrum 1 weight 0.11000E+01 volume 0.91371E-03 ppm1 8.266 ppm2 1.385 CV 1
ASSI { 134}
(( segid " " and resid 2 and name HN ))
( segid " " and resid 2 and name HB% )
4.100 2.100 1.900 peak 134 spectrum 1 weight 0.11000E+01 volume 0.73279E-03 ppm1 8.329 ppm2 1.412 CV 1
ASSI { 135}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HG2 ))
4.100 2.100 1.900 peak 135 spectrum 1 weight 0.11000E+01 volume 0.23493E-02 ppm1 8.393 ppm2 1.383 CV 1
ASSI { 136}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HG1 ))
4.400 2.500 1.600 peak 136 spectrum 1 weight 0.11000E+01 volume 0.14033E-02 ppm1 8.393 ppm2 1.246 CV 1
ASSI { 137}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HG11))
2.500 0.800 0.800 peak 137 spectrum 1 weight 0.11000E+01 volume 0.22577E-02 ppm1 8.256 ppm2 1.181 CV 1
ASSI { 138}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 11 and name HB% )
2.500 0.800 0.800 peak 138 spectrum 1 weight 0.11000E+01 volume 0.53158E-02 ppm1 8.061 ppm2 1.365 CV 1
ASSI { 139}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 15 and name HD1%)
4.500 2.600 1.500 peak 139 spectrum 1 weight 0.11000E+01 volume 0.10798E-02 ppm1 8.384 ppm2 0.806 CV 1
ASSI { 140}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 5 and name HG2%)
3.700 1.700 1.700 peak 140 spectrum 1 weight 0.11000E+01 volume 0.48906E-02 ppm1 8.283 ppm2 0.899 CV 1
ASSI { 142}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HG2%)
2.700 0.900 0.900 peak 142 spectrum 1 weight 0.11000E+01 volume 0.39038E-02 ppm1 8.257 ppm2 0.868 CV 1
ASSI { 143}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
3.000 1.100 1.100 peak 143 spectrum 1 weight 0.11000E+01 volume 0.27337E-02 ppm1 7.991 ppm2 4.681 CV 1
ASSI { 144}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.800 1.000 1.000 peak 144 spectrum 1 weight 0.11000E+01 volume 0.40327E-02 ppm1 8.046 ppm2 4.562 CV 1
ASSI { 145}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
2.300 0.700 0.700 peak 145 spectrum 1 weight 0.11000E+01 volume 0.66107E-02 ppm1 7.991 ppm2 4.560 CV 1
ASSI { 146}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HA ))
2.400 0.700 0.700 peak 146 spectrum 1 weight 0.11000E+01 volume 0.33672E-02 ppm1 8.017 ppm2 4.479 CV 1
ASSI { 147}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
2.600 0.800 0.800 peak 147 spectrum 1 weight 0.11000E+01 volume 0.41577E-02 ppm1 8.062 ppm2 4.400 CV 1
ASSI { 148}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HA ))
2.800 1.000 1.000 peak 148 spectrum 1 weight 0.11000E+01 volume 0.22298E-02 ppm1 8.006 ppm2 4.277 CV 1
ASSI { 149}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
2.600 0.900 0.900 peak 149 spectrum 1 weight 0.11000E+01 volume 0.14713E-01 ppm1 8.062 ppm2 4.216 CV 1
ASSI { 150}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
2.200 0.600 0.600 peak 150 spectrum 1 weight 0.11000E+01 volume 0.15945E-01 ppm1 8.034 ppm2 4.184 CV 1
ASSI { 151}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
2.400 0.700 0.700 peak 151 spectrum 1 weight 0.11000E+01 volume 0.10251E-01 ppm1 8.034 ppm2 4.216 CV 1
ASSI { 152}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA ))
2.800 1.000 1.000 peak 152 spectrum 1 weight 0.11000E+01 volume 0.34231E-02 ppm1 7.898 ppm2 4.104 CV 1
ASSI { 153}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA2 ))
3.200 1.300 1.300 peak 153 spectrum 1 weight 0.11000E+01 volume 0.30797E-02 ppm1 8.047 ppm2 3.985 CV 1
ASSI { 155}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 14 and name HA ))
3.000 1.100 1.100 peak 155 spectrum 1 weight 0.11000E+01 volume 0.47193E-03 ppm1 8.017 ppm2 3.996 CV 1
ASSI { 156}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA2 ))
2.400 0.700 0.700 peak 156 spectrum 1 weight 0.11000E+01 volume 0.47397E-02 ppm1 8.006 ppm2 3.891 CV 1
OR { 156}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA1 ))
ASSI { 157}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA1 ))
2.700 0.900 0.900 peak 157 spectrum 1 weight 0.11000E+01 volume 0.27430E-02 ppm1 8.046 ppm2 3.817 CV 1
ASSI { 158}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB2 ))
2.500 0.800 0.800 peak 158 spectrum 1 weight 0.11000E+01 volume 0.66554E-02 ppm1 8.046 ppm2 3.197 CV 1
ASSI { 159}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB2 ))
3.100 1.200 1.200 peak 159 spectrum 1 weight 0.11000E+01 volume 0.57801E-02 ppm1 8.062 ppm2 3.070 CV 1
ASSI { 160}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB1 ))
2.600 0.800 0.800 peak 160 spectrum 1 weight 0.11000E+01 volume 0.45960E-02 ppm1 8.061 ppm2 3.024 CV 1
ASSI { 161}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
2.700 0.900 0.900 peak 161 spectrum 1 weight 0.11000E+01 volume 0.10547E-01 ppm1 8.017 ppm2 3.066 CV 1
ASSI { 162}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB1 ))
2.300 0.700 0.700 peak 162 spectrum 1 weight 0.11000E+01 volume 0.63440E-02 ppm1 8.017 ppm2 3.018 CV 1
ASSI { 163}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB1 ))
3.000 1.100 1.100 peak 163 spectrum 1 weight 0.11000E+01 volume 0.58788E-02 ppm1 8.046 ppm2 2.937 CV 1
ASSI { 164}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB ))
2.900 1.000 1.000 peak 164 spectrum 1 weight 0.11000E+01 volume 0.68827E-02 ppm1 7.899 ppm2 1.896 CV 1
ASSI { 166}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HG12))
2.900 1.100 1.100 peak 166 spectrum 1 weight 0.11000E+01 volume 0.19451E-02 ppm1 7.899 ppm2 1.455 CV 1
ASSI { 167}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB2 ))
3.300 1.400 1.400 peak 167 spectrum 1 weight 0.11000E+01 volume 0.17165E-02 ppm1 8.010 ppm2 1.832 CV 1
ASSI { 168}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB2 ))
2.600 0.800 0.800 peak 168 spectrum 1 weight 0.11000E+01 volume 0.33353E-02 ppm1 8.035 ppm2 1.809 CV 1
ASSI { 169}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB2 ))
1.900 0.400 0.400 peak 169 spectrum 1 weight 0.11000E+01 volume 0.80852E-02 ppm1 7.991 ppm2 1.770 CV 1
ASSI { 170}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB1 ))
3.500 1.500 1.500 peak 170 spectrum 1 weight 0.11000E+01 volume 0.44572E-02 ppm1 8.033 ppm2 1.748 CV 1
OR { 170}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HD1 ))
OR { 170}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HD2 ))
ASSI { 171}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB1 ))
3.100 1.200 1.200 peak 171 spectrum 1 weight 0.11000E+01 volume 0.56094E-02 ppm1 8.009 ppm2 1.753 CV 1
ASSI { 172}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB2 ))
2.300 0.700 0.700 peak 172 spectrum 1 weight 0.11000E+01 volume 0.69862E-03 ppm1 8.018 ppm2 1.669 CV 1
ASSI { 173}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB1 ))
2.800 1.000 1.000 peak 173 spectrum 1 weight 0.11000E+01 volume 0.55535E-02 ppm1 7.991 ppm2 1.529 CV 1
ASSI { 174}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HG1 ))
3.200 1.200 1.200 peak 174 spectrum 1 weight 0.11000E+01 volume 0.17189E-02 ppm1 8.001 ppm2 1.419 CV 1
OR { 174}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HG2 ))
ASSI { 175}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 11 and name HB% )
2.600 0.900 0.900 peak 175 spectrum 1 weight 0.11000E+01 volume 0.79566E-02 ppm1 8.033 ppm2 1.364 CV 1
ASSI { 176}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HG11))
2.700 0.900 0.900 peak 176 spectrum 1 weight 0.11000E+01 volume 0.25461E-02 ppm1 7.897 ppm2 1.192 CV 1
ASSI { 177}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 9 and name HG2%)
3.400 1.400 1.400 peak 177 spectrum 1 weight 0.11000E+01 volume 0.19716E-02 ppm1 7.898 ppm2 0.875 CV 1
ASSI { 178}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 9 and name HD1%)
5.300 3.500 0.700 peak 178 spectrum 1 weight 0.11000E+01 volume 0.65265E-03 ppm1 7.899 ppm2 0.826 CV 1
ASSI { 179}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 20 and name HG2%)
5.700 4.000 0.300 peak 179 spectrum 1 weight 0.11000E+01 volume 0.22307E-03 ppm1 7.989 ppm2 0.551 CV 1
ASSI { 180}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 20 and name HG2%)
4.800 2.900 1.200 peak 180 spectrum 1 weight 0.11000E+01 volume 0.51428E-03 ppm1 7.692 ppm2 0.548 CV 1
ASSI { 181}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB1 ))
3.200 3.200 2.800 peak 181 spectrum 1 weight 0.11000E+01 volume 0.13752E-02 ppm1 7.800 ppm2 1.380 CV 1
ASSI { 182}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HG1 ))
4.500 4.500 1.500 peak 182 spectrum 1 weight 0.11000E+01 volume 0.60636E-03 ppm1 7.800 ppm2 1.252 CV 1
ASSI { 183}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB2 ))
3.500 1.500 1.500 peak 183 spectrum 1 weight 0.11000E+01 volume 0.10168E-02 ppm1 7.800 ppm2 1.763 CV 1
OR { 183}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB1 ))
ASSI { 184}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB1 ))
2.700 0.900 0.900 peak 184 spectrum 1 weight 0.11000E+01 volume 0.56410E-02 ppm1 7.692 ppm2 2.735 CV 1
ASSI { 185}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HB ))
3.800 1.800 1.800 peak 185 spectrum 1 weight 0.11000E+01 volume 0.23899E-02 ppm1 7.693 ppm2 3.289 CV 1
ASSI { 186}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB2 ))
3.700 1.700 1.700 peak 186 spectrum 1 weight 0.11000E+01 volume 0.29229E-02 ppm1 7.692 ppm2 3.518 CV 1
ASSI { 187}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HA1 ))
2.500 0.800 0.800 peak 187 spectrum 1 weight 0.11000E+01 volume 0.96593E-02 ppm1 7.830 ppm2 3.891 CV 1
OR { 187}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HA2 ))
ASSI { 188}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
2.800 1.000 1.000 peak 188 spectrum 1 weight 0.11000E+01 volume 0.35359E-02 ppm1 7.800 ppm2 3.996 CV 1
ASSI { 189}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
3.300 1.400 1.400 peak 189 spectrum 1 weight 0.11000E+01 volume 0.16405E-02 ppm1 7.801 ppm2 4.105 CV 1
ASSI { 190}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
2.700 0.900 0.900 peak 190 spectrum 1 weight 0.11000E+01 volume 0.36138E-02 ppm1 7.691 ppm2 3.993 CV 1
ASSI { 191}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 27 and name HA ))
3.100 1.200 1.200 peak 191 spectrum 1 weight 0.11000E+01 volume 0.38025E-03 ppm1 7.831 ppm2 4.676 CV 1
ASSI { 192}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HA ))
5.000 3.100 1.000 peak 192 spectrum 1 weight 0.11000E+01 volume 0.32457E-03 ppm1 7.690 ppm2 4.675 CV 1
ASSI { 194}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA2 ))
3.200 1.300 1.300 peak 194 spectrum 1 weight 0.11000E+01 volume 0.45546E-02 ppm1 7.332 ppm2 3.989 CV 1
ASSI { 195}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA ))
2.500 0.800 0.800 peak 195 spectrum 1 weight 0.11000E+01 volume 0.49659E-02 ppm1 7.333 ppm2 3.938 CV 1
ASSI { 196}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA1 ))
3.400 1.400 1.400 peak 196 spectrum 1 weight 0.11000E+01 volume 0.10517E-02 ppm1 7.332 ppm2 3.737 CV 1
ASSI { 197}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 22 and name HB ))
3.500 1.500 1.500 peak 197 spectrum 1 weight 0.11000E+01 volume 0.16723E-02 ppm1 7.333 ppm2 3.437 CV 1
ASSI { 198}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB2 ))
3.500 1.500 1.500 peak 198 spectrum 1 weight 0.11000E+01 volume 0.26568E-02 ppm1 7.333 ppm2 3.360 CV 1
ASSI { 199}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HB ))
4.300 2.400 1.700 peak 199 spectrum 1 weight 0.11000E+01 volume 0.15205E-02 ppm1 8.517 ppm2 2.023 CV 1
ASSI { 200}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB2 ))
2.700 0.900 0.900 peak 200 spectrum 1 weight 0.11000E+01 volume 0.22755E-02 ppm1 8.517 ppm2 1.890 CV 1
ASSI { 201}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB1 ))
3.300 1.400 1.400 peak 201 spectrum 1 weight 0.11000E+01 volume 0.33409E-02 ppm1 8.517 ppm2 1.807 CV 1
ASSI { 202}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HG2 ))
3.000 1.200 1.200 peak 202 spectrum 1 weight 0.11000E+01 volume 0.92048E-03 ppm1 8.518 ppm2 1.490 CV 1
ASSI { 203}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 5 and name HG2%)
4.900 3.100 1.100 peak 203 spectrum 1 weight 0.11000E+01 volume 0.27112E-03 ppm1 8.515 ppm2 0.903 CV 1
ASSI { 204}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 5 and name HG1%)
4.600 2.700 1.400 peak 204 spectrum 1 weight 0.11000E+01 volume 0.65759E-03 ppm1 8.516 ppm2 0.851 CV 1
ASSI { 205}
(( segid " " and resid 17 and name HE ))
(( segid " " and resid 17 and name HB1 ))
5.000 3.100 1.000 peak 205 spectrum 1 weight 0.11000E+01 volume 0.58600E-03 ppm1 7.215 ppm2 1.771 CV 1
ASSI { 209}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB2 ))
5.600 3.900 0.400 peak 209 spectrum 1 weight 0.11000E+01 volume 0.15908E-03 ppm1 9.892 ppm2 5.561 CV 1
ASSI { 210}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA ))
3.500 1.600 1.600 peak 210 spectrum 1 weight 0.11000E+01 volume 0.42672E-03 ppm1 9.583 ppm2 4.875 CV 1
ASSI { 211}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 20 and name HB ))
3.000 1.100 1.100 peak 211 spectrum 1 weight 0.11000E+01 volume 0.46822E-03 ppm1 9.116 ppm2 3.293 CV 1
ASSI { 212}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 25 and name HB2 ))
5.200 3.400 0.800 peak 212 spectrum 1 weight 0.11000E+01 volume 0.23963E-03 ppm1 8.603 ppm2 3.363 CV 1
ASSI { 213}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 15 and name HD2%)
4.800 2.900 1.200 peak 213 spectrum 1 weight 0.11000E+01 volume 0.40511E-03 ppm1 8.389 ppm2 0.866 CV 1
ASSI { 214}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB2 ))
2.700 0.900 0.900 peak 214 spectrum 1 weight 0.11000E+01 volume 0.48160E-02 ppm1 8.384 ppm2 1.671 CV 1
ASSI { 215}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HB1 ))
5.500 3.700 0.500 peak 215 spectrum 1 weight 0.11000E+01 volume 0.31754E-03 ppm1 8.211 ppm2 1.755 CV 1
ASSI { 216}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HB2 ))
4.800 2.900 1.200 peak 216 spectrum 1 weight 0.11000E+01 volume 0.43780E-03 ppm1 8.209 ppm2 1.832 CV 1
ASSI { 218}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HN ))
4.300 2.300 1.700 peak 218 spectrum 1 weight 0.11000E+01 volume 0.19901E-03 ppm1 8.259 ppm2 9.892 CV 1
ASSI { 219}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 28 and name HN ))
3.400 1.400 1.400 peak 219 spectrum 1 weight 0.11000E+01 volume 0.21228E-03 ppm1 7.273 ppm2 9.686 CV 1
ASSI { 223}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HB1 ))
2.000 0.500 0.500 peak 223 spectrum 1 weight 0.11000E+01 volume 0.12612E-01 ppm1 5.562 ppm2 5.489 CV 1
ASSI { 224}
( segid " " and resid 27 and name HD% )
( segid " " and resid 27 and name HE% )
1.700 0.400 0.500 peak 224 spectrum 1 weight 0.11000E+01 volume 0.41639E-01 ppm1 7.275 ppm2 7.349 CV 1
ASSI { 225}
( segid " " and resid 19 and name HD% )
( segid " " and resid 19 and name HE% )
1.800 0.400 0.400 peak 225 spectrum 1 weight 0.11000E+01 volume 0.26443E-01 ppm1 7.213 ppm2 7.314 CV 1
ASSI { 226}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 27 and name HA ))
2.800 1.000 1.000 peak 226 spectrum 1 weight 0.11000E+01 volume 0.37608E-02 ppm1 7.274 ppm2 4.676 CV 1
ASSI { 229}
( segid " " and resid 19 and name HE% )
(( segid " " and resid 19 and name HB2 ))
4.800 2.900 1.200 peak 229 spectrum 1 weight 0.11000E+01 volume 0.52448E-03 ppm1 7.315 ppm2 3.192 CV 1
ASSI { 230}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 27 and name HB2 ))
4.400 2.400 1.600 peak 230 spectrum 1 weight 0.11000E+01 volume 0.92108E-03 ppm1 7.352 ppm2 3.112 CV 1
OR { 230}
( segid " " and resid 27 and name HE% )
(( segid " " and resid 27 and name HB1 ))
ASSI { 231}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 27 and name HB2 ))
2.200 0.600 0.600 peak 231 spectrum 1 weight 0.11000E+01 volume 0.11035E-01 ppm1 7.274 ppm2 3.113 CV 1
OR { 231}
( segid " " and resid 27 and name HD% )
(( segid " " and resid 27 and name HB1 ))
ASSI { 232}
( segid " " and resid 19 and name HE% )
(( segid " " and resid 19 and name HB1 ))
5.000 3.200 1.000 peak 232 spectrum 1 weight 0.11000E+01 volume 0.37013E-03 ppm1 7.316 ppm2 2.942 CV 1
ASSI { 233}
( segid " " and resid 19 and name HE% )
( segid " " and resid 20 and name HG2%)
3.600 1.600 1.600 peak 233 spectrum 1 weight 0.11000E+01 volume 0.28501E-02 ppm1 7.316 ppm2 0.549 CV 1
ASSI { 234}
(( segid " " and resid 19 and name HZ ))
( segid " " and resid 20 and name HG2%)
2.500 0.800 0.800 peak 234 spectrum 1 weight 0.11000E+01 volume 0.11951E-02 ppm1 7.256 ppm2 0.550 CV 1
ASSI { 235}
( segid " " and resid 19 and name HD% )
( segid " " and resid 20 and name HG2%)
3.900 1.900 1.900 peak 235 spectrum 1 weight 0.11000E+01 volume 0.28897E-02 ppm1 7.212 ppm2 0.549 CV 1
ASSI { 236}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 26 and name HB1 ))
3.200 1.300 1.300 peak 236 spectrum 1 weight 0.11000E+01 volume 0.16360E-02 ppm1 7.201 ppm2 3.064 CV 1
ASSI { 237}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 19 and name HB1 ))
2.400 0.700 0.700 peak 237 spectrum 1 weight 0.11000E+01 volume 0.86961E-02 ppm1 7.213 ppm2 2.940 CV 1
ASSI { 239}
( segid " " and resid 19 and name HD% )
(( segid " " and resid 18 and name HA2 ))
3.400 1.500 1.500 peak 239 spectrum 1 weight 0.11000E+01 volume 0.12284E-02 ppm1 7.211 ppm2 3.995 CV 1
ASSI { 240}
(( segid " " and resid 26 and name HD2 ))
(( segid " " and resid 26 and name HA ))
5.100 3.200 0.900 peak 240 spectrum 1 weight 0.11000E+01 volume 0.43099E-03 ppm1 7.203 ppm2 4.689 CV 1
ASSI { 245}
(( segid " " and resid 18 and name HA1 ))
(( segid " " and resid 17 and name HA ))
3.700 1.700 1.700 peak 245 spectrum 1 weight 0.11000E+01 volume 0.14311E-02 ppm1 3.821 ppm2 4.243 CV 1
ASSI { 246}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 20 and name HA ))
2.700 0.900 0.900 peak 246 spectrum 1 weight 0.11000E+01 volume 0.82789E-03 ppm1 3.518 ppm2 4.685 CV 1
ASSI { 247}
(( segid " " and resid 22 and name HB ))
(( segid " " and resid 22 and name HA ))
2.900 1.100 1.100 peak 247 spectrum 1 weight 0.11000E+01 volume 0.29038E-02 ppm1 3.438 ppm2 4.874 CV 1
ASSI { 248}
(( segid " " and resid 20 and name HB ))
(( segid " " and resid 20 and name HA ))
2.300 0.700 0.700 peak 248 spectrum 1 weight 0.11000E+01 volume 0.11911E-01 ppm1 3.291 ppm2 4.680 CV 1
ASSI { 249}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HA ))
3.000 1.100 1.100 peak 249 spectrum 1 weight 0.11000E+01 volume 0.51866E-02 ppm1 3.189 ppm2 4.696 CV 1
ASSI { 250}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HA ))
2.500 0.800 0.800 peak 250 spectrum 1 weight 0.11000E+01 volume 0.69761E-02 ppm1 3.112 ppm2 4.677 CV 1
OR { 250}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HA ))
ASSI { 251}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HA ))
2.600 0.800 0.800 peak 251 spectrum 1 weight 0.11000E+01 volume 0.40081E-02 ppm1 3.066 ppm2 4.696 CV 1
ASSI { 252}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HA ))
2.800 1.000 1.000 peak 252 spectrum 1 weight 0.11000E+01 volume 0.75222E-02 ppm1 3.197 ppm2 4.562 CV 1
ASSI { 253}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HA ))
2.300 0.700 0.700 peak 253 spectrum 1 weight 0.11000E+01 volume 0.82009E-02 ppm1 3.066 ppm2 4.475 CV 1
ASSI { 254}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HA ))
2.300 0.700 0.700 peak 254 spectrum 1 weight 0.11000E+01 volume 0.90181E-02 ppm1 3.013 ppm2 4.476 CV 1
ASSI { 255}
(( segid " " and resid 19 and name HB1 ))
(( segid " " and resid 19 and name HA ))
2.600 0.900 0.900 peak 255 spectrum 1 weight 0.11000E+01 volume 0.36102E-02 ppm1 2.938 ppm2 4.561 CV 1
ASSI { 256}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HA ))
2.100 0.600 0.600 peak 256 spectrum 1 weight 0.11000E+01 volume 0.12718E-01 ppm1 3.075 ppm2 4.399 CV 1
ASSI { 257}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HA ))
2.500 0.800 0.800 peak 257 spectrum 1 weight 0.11000E+01 volume 0.10534E-01 ppm1 3.027 ppm2 4.399 CV 1
ASSI { 258}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HA ))
4.700 2.800 1.300 peak 258 spectrum 1 weight 0.11000E+01 volume 0.88560E-03 ppm1 3.168 ppm2 4.239 CV 1
OR { 258}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HA ))
ASSI { 259}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 20 and name HA ))
3.700 1.700 1.700 peak 259 spectrum 1 weight 0.11000E+01 volume 0.28189E-02 ppm1 2.735 ppm2 4.683 CV 1
ASSI { 260}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 22 and name HA ))
3.800 1.800 1.800 peak 260 spectrum 1 weight 0.11000E+01 volume 0.60103E-03 ppm1 1.341 ppm2 4.873 CV 1
ASSI { 262}
(( segid " " and resid 21 and name HB1 ))
(( segid " " and resid 21 and name HA ))
2.500 0.800 0.800 peak 262 spectrum 1 weight 0.11000E+01 volume 0.59310E-02 ppm1 1.529 ppm2 4.561 CV 1
ASSI { 263}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HA ))
2.900 1.000 1.000 peak 263 spectrum 1 weight 0.11000E+01 volume 0.26315E-02 ppm1 1.773 ppm2 4.562 CV 1
ASSI { 264}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HA ))
3.000 1.100 1.100 peak 264 spectrum 1 weight 0.11000E+01 volume 0.46687E-02 ppm1 1.892 ppm2 4.358 CV 1
ASSI { 265}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HA ))
2.600 0.800 0.800 peak 265 spectrum 1 weight 0.11000E+01 volume 0.35622E-02 ppm1 1.806 ppm2 4.359 CV 1
ASSI { 266}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 2 and name HA ))
3.100 1.200 1.200 peak 266 spectrum 1 weight 0.11000E+01 volume 0.18748E-02 ppm1 1.416 ppm2 4.302 CV 1
ASSI { 267}
( segid " " and resid 11 and name HB% )
(( segid " " and resid 11 and name HA ))
2.200 0.600 0.600 peak 267 spectrum 1 weight 0.11000E+01 volume 0.13731E-01 ppm1 1.363 ppm2 4.217 CV 1
ASSI { 268}
(( segid " " and resid 10 and name HG1 ))
(( segid " " and resid 10 and name HA ))
3.100 1.200 1.200 peak 268 spectrum 1 weight 0.11000E+01 volume 0.44214E-02 ppm1 1.393 ppm2 4.182 CV 1
ASSI { 270}
(( segid " " and resid 15 and name HG ))
(( segid " " and resid 15 and name HA ))
2.900 1.000 1.000 peak 270 spectrum 1 weight 0.11000E+01 volume 0.41080E-02 ppm1 1.538 ppm2 4.207 CV 1
ASSI { 271}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HA ))
2.900 1.100 1.100 peak 271 spectrum 1 weight 0.11000E+01 volume 0.24493E-02 ppm1 1.574 ppm2 4.243 CV 1
ASSI { 272}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 15 and name HA ))
2.100 0.600 0.600 peak 272 spectrum 1 weight 0.11000E+01 volume 0.78389E-02 ppm1 1.627 ppm2 4.205 CV 1
ASSI { 273}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HA ))
2.700 0.900 0.900 peak 273 spectrum 1 weight 0.11000E+01 volume 0.45717E-02 ppm1 1.669 ppm2 4.206 CV 1
ASSI { 274}
(( segid " " and resid 30 and name HB1 ))
(( segid " " and resid 30 and name HA ))
2.500 0.800 0.800 peak 274 spectrum 1 weight 0.11000E+01 volume 0.32481E-02 ppm1 1.747 ppm2 4.277 CV 1
ASSI { 275}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HA ))
2.600 0.800 0.800 peak 275 spectrum 1 weight 0.11000E+01 volume 0.92851E-02 ppm1 1.831 ppm2 4.244 CV 1
ASSI { 276}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HA ))
2.400 0.700 0.700 peak 276 spectrum 1 weight 0.11000E+01 volume 0.67396E-02 ppm1 1.776 ppm2 4.236 CV 1
ASSI { 277}
(( segid " " and resid 10 and name HB1 ))
(( segid " " and resid 10 and name HA ))
2.600 0.900 0.900 peak 277 spectrum 1 weight 0.11000E+01 volume 0.50965E-02 ppm1 1.745 ppm2 4.181 CV 1
OR { 277}
(( segid " " and resid 10 and name HD1 ))
(( segid " " and resid 10 and name HA ))
OR { 277}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 10 and name HA ))
ASSI { 278}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HA ))
2.500 0.800 0.800 peak 278 spectrum 1 weight 0.11000E+01 volume 0.53770E-02 ppm1 1.804 ppm2 4.180 CV 1
ASSI { 279}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HA ))
2.600 0.800 0.800 peak 279 spectrum 1 weight 0.11000E+01 volume 0.38972E-02 ppm1 1.870 ppm2 4.155 CV 1
ASSI { 282}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 20 and name HA ))
2.500 0.800 0.800 peak 282 spectrum 1 weight 0.11000E+01 volume 0.80273E-02 ppm1 0.551 ppm2 4.679 CV 1
ASSI { 284}
( segid " " and resid 15 and name HD1%)
(( segid " " and resid 15 and name HA ))
3.300 1.400 1.400 peak 284 spectrum 1 weight 0.11000E+01 volume 0.80283E-02 ppm1 0.809 ppm2 4.204 CV 1
ASSI { 285}
( segid " " and resid 15 and name HD2%)
(( segid " " and resid 15 and name HA ))
2.800 1.000 1.000 peak 285 spectrum 1 weight 0.11000E+01 volume 0.33090E-02 ppm1 0.857 ppm2 4.204 CV 1
ASSI { 286}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HA ))
2.700 0.900 0.900 peak 286 spectrum 1 weight 0.11000E+01 volume 0.40633E-02 ppm1 0.862 ppm2 4.159 CV 1
ASSI { 287}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 4 and name HA ))
5.600 3.900 0.400 peak 287 spectrum 1 weight 0.11000E+01 volume 0.66048E-03 ppm1 0.900 ppm2 4.158 CV 1
ASSI { 288}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 4 and name HA ))
4.300 2.400 1.700 peak 288 spectrum 1 weight 0.11000E+01 volume 0.13149E-02 ppm1 0.826 ppm2 4.159 CV 1
ASSI { 289}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 9 and name HA ))
2.600 0.800 0.800 peak 289 spectrum 1 weight 0.11000E+01 volume 0.56213E-02 ppm1 0.878 ppm2 4.103 CV 1
ASSI { 290}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 5 and name HA ))
2.700 0.900 0.900 peak 290 spectrum 1 weight 0.11000E+01 volume 0.53076E-02 ppm1 0.902 ppm2 4.079 CV 1
ASSI { 291}
( segid " " and resid 5 and name HG1%)
(( segid " " and resid 5 and name HA ))
3.300 1.400 1.400 peak 291 spectrum 1 weight 0.11000E+01 volume 0.40965E-02 ppm1 0.851 ppm2 4.080 CV 1
ASSI { 292}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 9 and name HA ))
4.100 2.100 1.900 peak 292 spectrum 1 weight 0.11000E+01 volume 0.28684E-02 ppm1 0.822 ppm2 4.101 CV 1
ASSI { 293}
(( segid " " and resid 4 and name HG11))
(( segid " " and resid 4 and name HA ))
3.400 1.500 1.500 peak 293 spectrum 1 weight 0.11000E+01 volume 0.20261E-02 ppm1 1.180 ppm2 4.147 CV 1
ASSI { 294}
(( segid " " and resid 9 and name HG11))
(( segid " " and resid 9 and name HA ))
3.300 1.400 1.400 peak 294 spectrum 1 weight 0.11000E+01 volume 0.24997E-02 ppm1 1.189 ppm2 4.104 CV 1
ASSI { 295}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HA ))
2.700 0.900 0.900 peak 295 spectrum 1 weight 0.11000E+01 volume 0.18448E-02 ppm1 1.391 ppm2 4.103 CV 1
ASSI { 296}
(( segid " " and resid 9 and name HG12))
(( segid " " and resid 9 and name HA ))
4.100 2.100 1.900 peak 296 spectrum 1 weight 0.11000E+01 volume 0.14139E-02 ppm1 1.453 ppm2 4.105 CV 1
ASSI { 297}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 13 and name HA ))
3.900 1.900 1.900 peak 297 spectrum 1 weight 0.11000E+01 volume 0.27046E-02 ppm1 1.633 ppm2 4.102 CV 1
ASSI { 298}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HA ))
3.500 1.500 1.500 peak 298 spectrum 1 weight 0.11000E+01 volume 0.94150E-03 ppm1 1.499 ppm2 4.361 CV 1
ASSI { 299}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HA ))
2.300 0.600 0.600 peak 299 spectrum 1 weight 0.11000E+01 volume 0.12713E-01 ppm1 1.762 ppm2 4.101 CV 1
OR { 299}
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 13 and name HA ))
ASSI { 300}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HA ))
2.300 0.700 0.700 peak 300 spectrum 1 weight 0.11000E+01 volume 0.97846E-02 ppm1 1.768 ppm2 3.995 CV 1
OR { 300}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HA ))
ASSI { 301}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 14 and name HA ))
5.100 3.300 0.900 peak 301 spectrum 1 weight 0.11000E+01 volume 0.56170E-03 ppm1 1.642 ppm2 3.992 CV 1
OR { 301}
(( segid " " and resid 14 and name HD2 ))
(( segid " " and resid 14 and name HA ))
ASSI { 302}
(( segid " " and resid 9 and name HB ))
(( segid " " and resid 9 and name HA ))
2.500 0.800 0.800 peak 302 spectrum 1 weight 0.11000E+01 volume 0.57282E-02 ppm1 1.896 ppm2 4.102 CV 1
ASSI { 303}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 5 and name HA ))
2.700 0.900 0.900 peak 303 spectrum 1 weight 0.11000E+01 volume 0.29462E-02 ppm1 2.020 ppm2 4.079 CV 1
ASSI { 304}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 25 and name HA ))
2.600 0.800 0.800 peak 304 spectrum 1 weight 0.11000E+01 volume 0.32056E-02 ppm1 2.498 ppm2 3.939 CV 1
ASSI { 305}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 23 and name HA ))
2.600 0.800 0.800 peak 305 spectrum 1 weight 0.11000E+01 volume 0.41238E-02 ppm1 2.736 ppm2 3.991 CV 1
ASSI { 306}
(( segid " " and resid 20 and name HB ))
(( segid " " and resid 23 and name HA ))
5.000 3.100 1.000 peak 306 spectrum 1 weight 0.11000E+01 volume 0.90773E-03 ppm1 3.290 ppm2 3.990 CV 1
ASSI { 307}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HA ))
2.900 1.100 1.100 peak 307 spectrum 1 weight 0.11000E+01 volume 0.58551E-02 ppm1 3.361 ppm2 3.937 CV 1
ASSI { 308}
(( segid " " and resid 22 and name HB ))
(( segid " " and resid 25 and name HA ))
3.300 1.400 1.400 peak 308 spectrum 1 weight 0.11000E+01 volume 0.10692E-02 ppm1 3.440 ppm2 3.936 CV 1
ASSI { 309}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HA ))
2.600 0.900 0.900 peak 309 spectrum 1 weight 0.11000E+01 volume 0.63720E-02 ppm1 3.517 ppm2 3.990 CV 1
ASSI { 310}
(( segid " " and resid 24 and name HA1 ))
(( segid " " and resid 24 and name HA2 ))
1.700 0.400 0.500 peak 310 spectrum 1 weight 0.11000E+01 volume 0.28224E-01 ppm1 3.734 ppm2 3.985 CV 1
ASSI { 311}
(( segid " " and resid 18 and name HA1 ))
(( segid " " and resid 18 and name HA2 ))
1.700 0.400 0.500 peak 311 spectrum 1 weight 0.11000E+01 volume 0.27274E-01 ppm1 3.817 ppm2 3.981 CV 1
ASSI { 312}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 22 and name HB ))
3.000 1.200 1.200 peak 312 spectrum 1 weight 0.11000E+01 volume 0.11777E-01 ppm1 3.361 ppm2 3.439 CV 1
ASSI { 313}
(( segid " " and resid 20 and name HB ))
(( segid " " and resid 23 and name HB2 ))
2.600 0.800 0.800 peak 313 spectrum 1 weight 0.11000E+01 volume 0.99190E-02 ppm1 3.290 ppm2 3.517 CV 1
ASSI { 314}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 23 and name HB2 ))
1.700 0.300 0.500 peak 314 spectrum 1 weight 0.11000E+01 volume 0.24019E-01 ppm1 2.736 ppm2 3.512 CV 1
ASSI { 315}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 22 and name HB ))
2.100 0.600 0.600 peak 315 spectrum 1 weight 0.11000E+01 volume 0.12539E-01 ppm1 2.498 ppm2 3.439 CV 1
ASSI { 316}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 25 and name HB2 ))
1.700 0.400 0.500 peak 316 spectrum 1 weight 0.11000E+01 volume 0.23653E-01 ppm1 2.499 ppm2 3.360 CV 1
ASSI { 317}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 20 and name HB ))
2.000 0.500 0.500 peak 317 spectrum 1 weight 0.11000E+01 volume 0.16807E-01 ppm1 2.736 ppm2 3.290 CV 1
ASSI { 318}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HB2 ))
1.500 0.300 0.700 peak 318 spectrum 1 weight 0.11000E+01 volume 0.43431E-01 ppm1 3.067 ppm2 3.186 CV 1
ASSI { 319}
(( segid " " and resid 19 and name HB1 ))
(( segid " " and resid 19 and name HB2 ))
1.600 0.300 0.600 peak 319 spectrum 1 weight 0.11000E+01 volume 0.21304E-01 ppm1 2.939 ppm2 3.195 CV 1
ASSI { 320}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 22 and name HB ))
2.600 0.800 0.800 peak 320 spectrum 1 weight 0.11000E+01 volume 0.51527E-02 ppm1 1.339 ppm2 3.439 CV 1
ASSI { 321}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 25 and name HB2 ))
4.700 2.700 1.300 peak 321 spectrum 1 weight 0.11000E+01 volume 0.69132E-03 ppm1 1.340 ppm2 3.362 CV 1
ASSI { 322}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 23 and name HB2 ))
3.300 1.400 1.400 peak 322 spectrum 1 weight 0.11000E+01 volume 0.22110E-02 ppm1 0.551 ppm2 3.516 CV 1
ASSI { 323}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 20 and name HB ))
2.300 0.700 0.700 peak 323 spectrum 1 weight 0.11000E+01 volume 0.11121E-01 ppm1 0.550 ppm2 3.289 CV 1
ASSI { 324}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HE2 ))
4.400 2.400 1.600 peak 324 spectrum 1 weight 0.11000E+01 volume 0.68031E-03 ppm1 1.392 ppm2 2.938 CV 1
OR { 324}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HE1 ))
ASSI { 325}
(( segid " " and resid 13 and name HD1 ))
(( segid " " and resid 13 and name HE2 ))
3.100 1.200 1.200 peak 325 spectrum 1 weight 0.11000E+01 volume 0.25369E-02 ppm1 1.594 ppm2 2.946 CV 1
OR { 325}
(( segid " " and resid 13 and name HD1 ))
(( segid " " and resid 13 and name HE1 ))
ASSI { 327}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HD1 ))
2.600 0.900 0.900 peak 327 spectrum 1 weight 0.11000E+01 volume 0.43800E-02 ppm1 1.581 ppm2 3.166 CV 1
OR { 327}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HD2 ))
ASSI { 328}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HD2 ))
2.700 0.900 0.900 peak 328 spectrum 1 weight 0.11000E+01 volume 0.28467E-02 ppm1 1.644 ppm2 3.166 CV 1
OR { 328}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 329}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HD2 ))
3.200 1.300 1.300 peak 329 spectrum 1 weight 0.11000E+01 volume 0.17137E-02 ppm1 1.779 ppm2 3.168 CV 1
OR { 329}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 330}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HD2 ))
3.200 1.300 1.300 peak 330 spectrum 1 weight 0.11000E+01 volume 0.21608E-02 ppm1 1.832 ppm2 3.166 CV 1
OR { 330}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 331}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 25 and name HB1 ))
3.600 1.700 1.700 peak 331 spectrum 1 weight 0.11000E+01 volume 0.10473E-02 ppm1 1.340 ppm2 2.502 CV 1
ASSI { 332}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 23 and name HB1 ))
3.600 1.600 1.600 peak 332 spectrum 1 weight 0.11000E+01 volume 0.34257E-02 ppm1 0.550 ppm2 2.734 CV 1
ASSI { 333}
( segid " " and resid 5 and name HG1%)
(( segid " " and resid 5 and name HB ))
2.600 0.900 0.900 peak 333 spectrum 1 weight 0.11000E+01 volume 0.42863E-02 ppm1 0.848 ppm2 2.018 CV 1
ASSI { 334}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 5 and name HB ))
2.500 0.800 0.800 peak 334 spectrum 1 weight 0.11000E+01 volume 0.66860E-02 ppm1 0.902 ppm2 2.018 CV 1
ASSI { 335}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 9 and name HB ))
2.200 0.600 0.600 peak 335 spectrum 1 weight 0.11000E+01 volume 0.11004E-01 ppm1 0.877 ppm2 1.898 CV 1
ASSI { 336}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 4 and name HB ))
2.200 0.600 0.600 peak 336 spectrum 1 weight 0.11000E+01 volume 0.10522E-01 ppm1 0.865 ppm2 1.872 CV 1
OR { 336}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HB ))
ASSI { 337}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 9 and name HB ))
2.600 0.800 0.800 peak 337 spectrum 1 weight 0.11000E+01 volume 0.35438E-02 ppm1 0.823 ppm2 1.888 CV 1
ASSI { 338}
( segid " " and resid 21 and name HD1%)
(( segid " " and resid 21 and name HB2 ))
2.400 0.700 0.700 peak 338 spectrum 1 weight 0.11000E+01 volume 0.40663E-02 ppm1 0.871 ppm2 1.773 CV 1
ASSI { 339}
( segid " " and resid 21 and name HD2%)
(( segid " " and resid 21 and name HB2 ))
5.000 3.100 1.000 peak 339 spectrum 1 weight 0.11000E+01 volume 0.17482E-03 ppm1 0.918 ppm2 1.770 CV 1
ASSI { 340}
(( segid " " and resid 9 and name HG11))
(( segid " " and resid 9 and name HB ))
2.900 1.000 1.000 peak 340 spectrum 1 weight 0.11000E+01 volume 0.21579E-02 ppm1 1.198 ppm2 1.892 CV 1
ASSI { 341}
(( segid " " and resid 4 and name HG11))
(( segid " " and resid 4 and name HB ))
3.100 1.200 1.200 peak 341 spectrum 1 weight 0.11000E+01 volume 0.19969E-02 ppm1 1.182 ppm2 1.875 CV 1
ASSI { 342}
(( segid " " and resid 13 and name HG1 ))
(( segid " " and resid 13 and name HB2 ))
2.500 0.800 0.800 peak 342 spectrum 1 weight 0.11000E+01 volume 0.35105E-02 ppm1 1.239 ppm2 1.761 CV 1
OR { 342}
(( segid " " and resid 13 and name HG1 ))
(( segid " " and resid 13 and name HB1 ))
ASSI { 343}
(( segid " " and resid 14 and name HG1 ))
(( segid " " and resid 14 and name HB2 ))
2.700 0.900 0.900 peak 343 spectrum 1 weight 0.11000E+01 volume 0.26329E-02 ppm1 1.316 ppm2 1.763 CV 1
OR { 343}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 14 and name HB1 ))
OR { 343}
(( segid " " and resid 14 and name HG1 ))
(( segid " " and resid 14 and name HB1 ))
OR { 343}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 14 and name HB2 ))
ASSI { 344}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HB1 ))
2.100 0.600 0.600 peak 344 spectrum 1 weight 0.11000E+01 volume 0.24042E-01 ppm1 1.397 ppm2 1.760 CV 1
OR { 344}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 345}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HB1 ))
2.700 0.900 0.900 peak 345 spectrum 1 weight 0.11000E+01 volume 0.27327E-02 ppm1 1.447 ppm2 1.743 CV 1
OR { 345}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HD1 ))
OR { 345}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HD2 ))
ASSI { 347}
(( segid " " and resid 21 and name HB1 ))
(( segid " " and resid 21 and name HB2 ))
1.400 0.300 0.800 peak 347 spectrum 1 weight 0.11000E+01 volume 0.21742E-01 ppm1 1.529 ppm2 1.770 CV 1
ASSI { 348}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HB2 ))
2.500 0.800 0.800 peak 348 spectrum 1 weight 0.11000E+01 volume 0.51862E-02 ppm1 1.574 ppm2 1.827 CV 1
ASSI { 349}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HB1 ))
2.700 0.900 0.900 peak 349 spectrum 1 weight 0.11000E+01 volume 0.92265E-02 ppm1 1.578 ppm2 1.772 CV 1
ASSI { 352}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HB2 ))
4.900 3.000 1.100 peak 352 spectrum 1 weight 0.11000E+01 volume 0.53027E-03 ppm1 1.673 ppm2 1.888 CV 1
OR { 352}
(( segid " " and resid 6 and name HD1 ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 353}
(( segid " " and resid 15 and name HG ))
(( segid " " and resid 15 and name HB2 ))
1.700 0.400 0.500 peak 353 spectrum 1 weight 0.11000E+01 volume 0.23411E-01 ppm1 1.542 ppm2 1.672 CV 1
ASSI { 354}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HD1 ))
2.500 0.800 0.800 peak 354 spectrum 1 weight 0.11000E+01 volume 0.36240E-02 ppm1 1.496 ppm2 1.667 CV 1
OR { 354}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HD2 ))
ASSI { 357}
(( segid " " and resid 31 and name HG1 ))
(( segid " " and resid 31 and name HD2 ))
2.300 0.700 0.700 peak 357 spectrum 1 weight 0.11000E+01 volume 0.90943E-02 ppm1 1.366 ppm2 1.618 CV 1
OR { 357}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HD1 ))
OR { 357}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HD2 ))
OR { 357}
(( segid " " and resid 31 and name HG1 ))
(( segid " " and resid 31 and name HD1 ))
ASSI { 358}
(( segid " " and resid 14 and name HG1 ))
(( segid " " and resid 14 and name HD2 ))
2.900 1.100 1.100 peak 358 spectrum 1 weight 0.11000E+01 volume 0.20133E-02 ppm1 1.311 ppm2 1.636 CV 1
OR { 358}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 14 and name HD1 ))
OR { 358}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 14 and name HD2 ))
OR { 358}
(( segid " " and resid 14 and name HG1 ))
(( segid " " and resid 14 and name HD1 ))
ASSI { 361}
(( segid " " and resid 13 and name HG1 ))
(( segid " " and resid 13 and name HG2 ))
1.700 0.300 0.500 peak 361 spectrum 1 weight 0.11000E+01 volume 0.14288E-01 ppm1 1.242 ppm2 1.394 CV 1
ASSI { 362}
( segid " " and resid 15 and name HD1%)
(( segid " " and resid 15 and name HB1 ))
3.000 1.100 1.100 peak 362 spectrum 1 weight 0.11000E+01 volume 0.30200E-02 ppm1 0.810 ppm2 1.625 CV 1
ASSI { 363}
( segid " " and resid 15 and name HD2%)
(( segid " " and resid 15 and name HB1 ))
2.300 0.700 0.700 peak 363 spectrum 1 weight 0.11000E+01 volume 0.50208E-02 ppm1 0.857 ppm2 1.626 CV 1
ASSI { 364}
( segid " " and resid 21 and name HD2%)
(( segid " " and resid 21 and name HB1 ))
2.700 0.900 0.900 peak 364 spectrum 1 weight 0.11000E+01 volume 0.17546E-02 ppm1 0.920 ppm2 1.531 CV 1
ASSI { 365}
( segid " " and resid 21 and name HD2%)
(( segid " " and resid 21 and name HG ))
3.100 1.200 1.200 peak 365 spectrum 1 weight 0.11000E+01 volume 0.15651E-02 ppm1 0.914 ppm2 1.413 CV 1
ASSI { 366}
( segid " " and resid 21 and name HD2%)
( segid " " and resid 22 and name HG2%)
4.600 2.700 1.400 peak 366 spectrum 1 weight 0.11000E+01 volume 0.32702E-03 ppm1 0.921 ppm2 1.339 CV 1
ASSI { 367}
( segid " " and resid 15 and name HD2%)
(( segid " " and resid 15 and name HG ))
2.200 0.600 0.600 peak 367 spectrum 1 weight 0.11000E+01 volume 0.81582E-02 ppm1 0.861 ppm2 1.535 CV 1
ASSI { 368}
( segid " " and resid 15 and name HD1%)
(( segid " " and resid 15 and name HG ))
2.400 0.700 0.700 peak 368 spectrum 1 weight 0.11000E+01 volume 0.47430E-02 ppm1 0.810 ppm2 1.535 CV 1
ASSI { 369}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 9 and name HG12))
2.300 0.700 0.700 peak 369 spectrum 1 weight 0.11000E+01 volume 0.75831E-02 ppm1 0.818 ppm2 1.457 CV 1
ASSI { 371}
( segid " " and resid 21 and name HD1%)
(( segid " " and resid 21 and name HG ))
2.700 0.900 0.900 peak 371 spectrum 1 weight 0.11000E+01 volume 0.35530E-02 ppm1 0.868 ppm2 1.415 CV 1
ASSI { 372}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 9 and name HG11))
4.000 2.000 2.000 peak 372 spectrum 1 weight 0.11000E+01 volume 0.18523E-02 ppm1 0.878 ppm2 1.190 CV 1
ASSI { 373}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 9 and name HG11))
2.400 0.700 0.700 peak 373 spectrum 1 weight 0.11000E+01 volume 0.64526E-02 ppm1 0.818 ppm2 1.187 CV 1
ASSI { 374}
( segid " " and resid 15 and name HD2%)
(( segid " " and resid 15 and name HB2 ))
3.200 1.300 1.300 peak 374 spectrum 1 weight 0.11000E+01 volume 0.41827E-02 ppm1 0.858 ppm2 1.673 CV 1
ASSI { 376}
( segid " " and resid 11 and name HB% )
(( segid " " and resid 12 and name HA ))
6.000 4.500 0.000 peak 376 spectrum 1 weight 0.11000E+01 volume 0.31027E-03 ppm1 1.363 ppm2 4.402 CV 1
ASSI { 379}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 14 and name HA ))
3.900 1.900 1.900 peak 379 spectrum 1 weight 0.11000E+01 volume 0.30575E-03 ppm1 1.315 ppm2 3.995 CV 1
OR { 379}
(( segid " " and resid 14 and name HG1 ))
(( segid " " and resid 14 and name HA ))
ASSI { 380}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HA ))
2.900 1.000 1.000 peak 380 spectrum 1 weight 0.11000E+01 volume 0.46220E-02 ppm1 1.831 ppm2 4.282 CV 1
ASSI { 382}
(( segid " " and resid 18 and name HA2 ))
(( segid " " and resid 17 and name HA ))
3.900 1.900 1.900 peak 382 spectrum 1 weight 0.11000E+01 volume 0.63907E-03 ppm1 3.978 ppm2 4.244 CV 1
ASSI { 383}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HA ))
4.500 2.600 1.500 peak 383 spectrum 1 weight 0.11000E+01 volume 0.79800E-03 ppm1 1.413 ppm2 4.359 CV 1
ASSI { 384}
( segid " " and resid 15 and name HD1%)
(( segid " " and resid 15 and name HB2 ))
2.800 1.000 1.000 peak 384 spectrum 1 weight 0.11000E+01 volume 0.18791E-02 ppm1 0.810 ppm2 1.674 CV 1
ASSI { 385}
( segid " " and resid 21 and name HD1%)
(( segid " " and resid 21 and name HB1 ))
3.100 1.200 1.200 peak 385 spectrum 1 weight 0.11000E+01 volume 0.62964E-02 ppm1 0.875 ppm2 1.528 CV 1
ASSI { 386}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HA ))
5.200 3.400 0.800 peak 386 spectrum 1 weight 0.11000E+01 volume 0.34586E-03 ppm1 3.932 ppm2 4.704 CV 1
ASSI { 387}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 22 and name HA ))
4.600 2.600 1.400 peak 387 spectrum 1 weight 0.11000E+01 volume 0.43339E-03 ppm1 2.498 ppm2 4.874 CV 1
ASSI { 388}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB1 ))
3.400 1.400 1.400 peak 388 spectrum 1 weight 0.11000E+01 volume 0.48347E-02 ppm1 7.333 ppm2 2.499 CV 1
ASSI { 389}
(( segid " " and resid 17 and name HE ))
(( segid " " and resid 17 and name HB2 ))
3.700 1.700 1.700 peak 389 spectrum 1 weight 0.11000E+01 volume 0.36460E-03 ppm1 7.218 ppm2 1.831 CV 1
ASSI { 390}
(( segid " " and resid 31 and name HE1 ))
(( segid " " and resid 31 and name HG2 ))
5.300 3.500 0.700 peak 390 spectrum 1 weight 0.11000E+01 volume 0.61392E-04 ppm1 2.940 ppm2 1.384 CV 1
OR { 390}
(( segid " " and resid 31 and name HE1 ))
(( segid " " and resid 31 and name HG1 ))
OR { 390}
(( segid " " and resid 31 and name HE2 ))
(( segid " " and resid 31 and name HG2 ))
OR { 390}
(( segid " " and resid 31 and name HE2 ))
(( segid " " and resid 31 and name HG1 ))
ASSI { 391}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HG ))
5.900 4.300 0.100 peak 391 spectrum 1 weight 0.11000E+01 volume 0.55776E-04 ppm1 8.020 ppm2 1.538 CV 1
ASSI { 392}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB1 ))
6.000 6.000 0.000 peak 392 spectrum 1 weight 0.11000E+01 volume 0.56930E-04 ppm1 8.020 ppm2 1.628 CV 1
ASSI { 393}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HD1 ))
6.000 6.000 0.000 peak 393 spectrum 1 weight 0.11000E+01 volume 0.32143E-04 ppm1 8.397 ppm2 3.167 CV 1
OR { 393}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HD2 ))
ASSI { 394}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG1 ))
6.000 6.000 0.000 peak 394 spectrum 1 weight 0.11000E+01 volume 0.35477E-04 ppm1 8.661 ppm2 1.574 CV 1
ASSI { 395}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 16 and name HA ))
6.000 5.500 0.000 peak 395 spectrum 1 weight 0.11000E+01 volume 0.45029E-04 ppm1 8.046 ppm2 4.483 CV 1
ASSI { 396}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 21 and name HD2%)
6.000 6.000 0.000 peak 396 spectrum 1 weight 0.11000E+01 volume 0.34658E-04 ppm1 7.991 ppm2 0.924 CV 1
ASSI { 397}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HB1 ))
6.000 5.400 0.000 peak 397 spectrum 1 weight 0.11000E+01 volume 0.31582E-04 ppm1 9.580 ppm2 2.730 CV 1
ASSI { 398}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB ))
6.000 5.200 0.000 peak 398 spectrum 1 weight 0.11000E+01 volume 0.31373E-04 ppm1 9.584 ppm2 3.438 CV 1
ASSI { 399}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 22 and name HB ))
6.000 6.000 0.000 peak 399 spectrum 1 weight 0.11000E+01 volume 0.33978E-04 ppm1 8.735 ppm2 3.438 CV 1
ASSI { 400}
(( segid " " and resid 13 and name HG1 ))
(( segid " " and resid 13 and name HA ))
5.800 4.200 0.200 peak 400 spectrum 1 weight 0.11000E+01 volume 0.10813E-03 ppm1 1.241 ppm2 4.104 CV 1
ASSI { 402}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HN ))
6.000 6.000 0.000 peak 402 spectrum 1 weight 0.11000E+01 volume 0.30217E-04 ppm1 9.893 ppm2 8.333 CV 1
ASSI { 403}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HA ))
5.000 3.100 1.000 peak 403 spectrum 1 weight 0.11000E+01 volume 0.68343E-04 ppm1 8.210 ppm2 4.279 CV 1
ASSI { 404}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 23 and name HN ))
6.000 5.800 0.000 peak 404 spectrum 1 weight 0.11000E+01 volume 0.32164E-04 ppm1 7.992 ppm2 7.690 CV 1
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