NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
14464 |
1wt7   |
6389 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2}
(( segid " " and resid 40 and name HA2 ))
(( segid " " and resid 40 and name HN ))
3.100 1.200 1.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.39178E-02 ppm1 4.096 ppm2 9.417 CV 1
ASSI { 3}
(( segid " " and resid 40 and name HA1 ))
(( segid " " and resid 40 and name HN ))
2.300 0.700 0.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.88969E-02 ppm1 3.696 ppm2 9.417 CV 1
ASSI { 4}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
2.200 0.600 0.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.13270E-01 ppm1 4.165 ppm2 9.318 CV 1
ASSI { 5}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HN ))
4.500 2.600 1.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.39925E-03 ppm1 2.893 ppm2 9.318 CV 1
ASSI { 6}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HN ))
3.400 1.400 1.400 peak 6 spectrum 1 weight 0.10000E+01 volume 0.13100E-02 ppm1 2.579 ppm2 9.318 CV 1
ASSI { 7}
(( segid " " and resid 33 and name HB3 ))
(( segid " " and resid 33 and name HA ))
3.100 1.200 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.26022E-02 ppm1 2.893 ppm2 4.165 CV 1
ASSI { 9}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HB3 ))
1.700 0.300 0.500 peak 9 spectrum 1 weight 0.10000E+01 volume 0.39654E-01 ppm1 2.579 ppm2 2.893 CV 1
ASSI { 10}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
2.900 1.100 1.100 peak 10 spectrum 1 weight 0.10000E+01 volume 0.31042E-02 ppm1 4.276 ppm2 9.005 CV 1
ASSI { 11}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 11 and name HN ))
3.100 1.200 1.200 peak 11 spectrum 1 weight 0.10000E+01 volume 0.18938E-02 ppm1 4.086 ppm2 9.004 CV 1
ASSI { 12}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 11 and name HN ))
3.500 1.500 1.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.16691E-02 ppm1 1.034 ppm2 9.005 CV 1
ASSI { 16}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
2.600 0.900 0.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.55363E-02 ppm1 4.247 ppm2 8.981 CV 1
ASSI { 17}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 18 and name HN ))
2.300 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.10262E-01 ppm1 1.334 ppm2 8.981 CV 1
ASSI { 23}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HN ))
2.700 0.900 0.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.33994E-02 ppm1 1.552 ppm2 8.955 CV 1
ASSI { 25}
(( segid " " and resid 32 and name HG13))
(( segid " " and resid 37 and name HN ))
5.800 4.200 0.200 peak 25 spectrum 1 weight 0.10000E+01 volume 0.68982E-04 ppm1 0.794 ppm2 8.954 CV 1
OR { 25}
(( segid " " and resid 32 and name HG12))
(( segid " " and resid 37 and name HN ))
ASSI { 28}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 37 and name HA ))
6.000 4.500 0.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.554 ppm2 4.373 CV 1
ASSI { 30}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HB3 ))
6.000 4.500 0.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.471 ppm2 1.556 CV 1
ASSI { 32}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HN ))
2.900 1.000 1.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.36034E-02 ppm1 4.362 ppm2 8.746 CV 1
ASSI { 33}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HN ))
3.100 1.200 1.200 peak 33 spectrum 1 weight 0.10000E+01 volume 0.21008E-02 ppm1 3.047 ppm2 8.746 CV 1
ASSI { 34}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HN ))
2.500 0.800 0.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.81715E-02 ppm1 2.675 ppm2 8.746 CV 1
ASSI { 38}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HN ))
3.100 1.200 1.200 peak 38 spectrum 1 weight 0.10000E+01 volume 0.21683E-02 ppm1 3.936 ppm2 8.692 CV 1
ASSI { 39}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 3 and name HN ))
3.600 1.700 1.700 peak 39 spectrum 1 weight 0.10000E+01 volume 0.93021E-03 ppm1 3.799 ppm2 8.692 CV 1
ASSI { 40}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 36 and name HN ))
3.600 1.600 1.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 3.617 ppm2 8.697 CV 1
ASSI { 44}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
2.800 1.000 1.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.28795E-02 ppm1 4.512 ppm2 8.697 CV 1
ASSI { 46}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HN ))
3.500 1.500 1.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.14131E-02 ppm1 2.365 ppm2 8.697 CV 1
ASSI { 49}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HB3 ))
1.700 0.300 0.500 peak 49 spectrum 1 weight 0.10000E+01 volume 0.35907E-01 ppm1 2.365 ppm2 2.659 CV 1
ASSI { 53}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
3.000 1.100 1.100 peak 53 spectrum 1 weight 0.10000E+01 volume 0.20154E-02 ppm1 4.129 ppm2 8.676 CV 1
ASSI { 55}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 32 and name HN ))
3.200 1.300 1.300 peak 55 spectrum 1 weight 0.10000E+01 volume 0.16833E-02 ppm1 0.698 ppm2 8.676 CV 1
ASSI { 56}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 32 and name HA ))
3.500 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.21171E-02 ppm1 0.698 ppm2 4.129 CV 1
ASSI { 65}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
2.700 0.900 0.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.30452E-02 ppm1 3.427 ppm2 8.646 CV 1
ASSI { 67}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HN ))
4.600 2.600 1.400 peak 67 spectrum 1 weight 0.10000E+01 volume 0.71969E-03 ppm1 1.247 ppm2 8.646 CV 1
ASSI { 68}
(( segid " " and resid 32 and name HG13))
(( segid " " and resid 32 and name HN ))
3.800 1.800 1.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.53252E-03 ppm1 0.799 ppm2 8.676 CV 1
OR { 68}
(( segid " " and resid 32 and name HG12))
(( segid " " and resid 32 and name HN ))
ASSI { 70}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HN ))
2.400 0.700 0.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.62098E-02 ppm1 1.795 ppm2 8.646 CV 1
ASSI { 74}
( segid " " and resid 8 and name HD1%)
( segid " " and resid 11 and name HG2%)
2.800 1.000 1.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.93875E-02 ppm1 0.701 ppm2 1.034 CV 1
ASSI { 75}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HG3 ))
6.000 4.500 0.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.035 ppm2 1.238 CV 1
ASSI { 77}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HN ))
5.200 3.400 0.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.30800E-03 ppm1 1.034 ppm2 8.647 CV 1
ASSI { 82}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HN ))
2.700 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.58052E-02 ppm1 4.472 ppm2 8.354 CV 1
ASSI { 83}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HN ))
3.000 1.200 1.200 peak 83 spectrum 1 weight 0.10000E+01 volume 0.28411E-02 ppm1 2.714 ppm2 8.354 CV 1
ASSI { 88}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
2.100 0.500 0.500 peak 88 spectrum 1 weight 0.10000E+01 volume 0.21932E-01 ppm1 3.764 ppm2 8.356 CV 1
ASSI { 89}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HN ))
4.100 2.100 1.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.68562E-03 ppm1 2.091 ppm2 8.356 CV 1
ASSI { 90}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 34 and name HN ))
4.600 2.600 1.400 peak 90 spectrum 1 weight 0.10000E+01 volume 0.39043E-03 ppm1 1.569 ppm2 8.362 CV 1
ASSI { 91}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 34 and name HN ))
3.600 1.600 1.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.13619E-02 ppm1 1.209 ppm2 8.356 CV 1
OR { 91}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HN ))
ASSI { 94}
(( segid " " and resid 34 and name HB3 ))
( segid " " and resid 34 and name HZ% )
6.000 4.500 0.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.091 ppm2 7.379 CV 1
ASSI { 107}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 2 and name HB3 ))
1.800 0.400 0.400 peak 107 spectrum 1 weight 0.10000E+01 volume 0.27117E-01 ppm1 2.975 ppm2 3.234 CV 1
ASSI { 108}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
2.900 1.000 1.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.25367E-02 ppm1 4.917 ppm2 8.149 CV 1
ASSI { 109}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HN ))
3.200 1.300 1.300 peak 109 spectrum 1 weight 0.10000E+01 volume 0.30438E-02 ppm1 3.570 ppm2 8.149 CV 1
ASSI { 110}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HN ))
2.600 0.900 0.900 peak 110 spectrum 1 weight 0.10000E+01 volume 0.40963E-02 ppm1 1.940 ppm2 8.149 CV 1
ASSI { 113}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HB3 ))
1.800 0.400 0.400 peak 113 spectrum 1 weight 0.10000E+01 volume 0.24905E-01 ppm1 1.940 ppm2 3.570 CV 1
ASSI { 114}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HN ))
2.100 0.500 0.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.20062E-01 ppm1 4.176 ppm2 8.107 CV 1
ASSI { 120}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
2.500 0.800 0.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.71614E-02 ppm1 4.493 ppm2 8.115 CV 1
ASSI { 122}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.100 0.600 0.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.11884E-01 ppm1 2.884 ppm2 8.115 CV 1
ASSI { 125}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HB3 ))
1.700 0.300 0.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.30224E-01 ppm1 2.884 ppm2 3.338 CV 1
ASSI { 126}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HN ))
3.000 1.100 1.100 peak 126 spectrum 1 weight 0.10000E+01 volume 0.26356E-02 ppm1 4.316 ppm2 8.104 CV 1
ASSI { 127}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HN ))
3.700 1.700 1.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.28802E-02 ppm1 3.071 ppm2 8.104 CV 1
ASSI { 128}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HN ))
2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.67361E-02 ppm1 2.291 ppm2 8.104 CV 1
ASSI { 132}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.400 0.700 0.700 peak 132 spectrum 1 weight 0.10000E+01 volume 0.89108E-02 ppm1 5.232 ppm2 8.104 CV 1
ASSI { 133}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 29 and name HN ))
2.600 0.800 0.800 peak 133 spectrum 1 weight 0.10000E+01 volume 0.61657E-02 ppm1 1.311 ppm2 8.104 CV 1
ASSI { 135}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
2.600 0.800 0.800 peak 135 spectrum 1 weight 0.10000E+01 volume 0.61956E-02 ppm1 4.250 ppm2 8.041 CV 1
ASSI { 136}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HN ))
2.900 1.000 1.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.33076E-02 ppm1 1.313 ppm2 8.041 CV 1
OR { 136}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
ASSI { 137}
( segid " " and resid 8 and name HD1%)
(( segid " " and resid 9 and name HN ))
4.000 2.000 2.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.14642E-02 ppm1 0.712 ppm2 8.027 CV 1
ASSI { 141}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
3.000 1.100 1.100 peak 141 spectrum 1 weight 0.10000E+01 volume 0.23141E-02 ppm1 4.641 ppm2 8.024 CV 1
ASSI { 142}
( segid " " and resid 9 and name HB% )
(( segid " " and resid 9 and name HN ))
2.400 0.700 0.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.10624E-01 ppm1 1.250 ppm2 8.024 CV 1
ASSI { 171}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HG3 ))
2.300 0.700 0.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.11556E-01 ppm1 2.044 ppm2 2.310 CV 1
OR { 171}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HG3 ))
ASSI { 175}
(( segid " " and resid 12 and name HA1 ))
(( segid " " and resid 12 and name HN ))
2.500 0.800 0.800 peak 175 spectrum 1 weight 0.10000E+01 volume 0.55897E-02 ppm1 3.789 ppm2 7.716 CV 1
ASSI { 176}
(( segid " " and resid 12 and name HA2 ))
(( segid " " and resid 12 and name HN ))
3.500 1.600 1.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.14067E-02 ppm1 4.307 ppm2 7.716 CV 1
ASSI { 177}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
2.900 1.000 1.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.23632E-02 ppm1 4.706 ppm2 7.711 CV 1
ASSI { 178}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HN ))
3.100 1.200 1.200 peak 178 spectrum 1 weight 0.10000E+01 volume 0.50976E-02 ppm1 3.137 ppm2 7.711 CV 1
ASSI { 179}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HN ))
3.100 1.200 1.200 peak 179 spectrum 1 weight 0.10000E+01 volume 0.18604E-02 ppm1 2.826 ppm2 7.711 CV 1
ASSI { 180}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HA ))
6.000 4.500 0.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.826 ppm2 4.705 CV 1
ASSI { 181}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HA ))
6.000 4.500 0.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.137 ppm2 4.704 CV 1
ASSI { 183}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
2.700 0.900 0.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.43558E-02 ppm1 5.161 ppm2 7.667 CV 1
ASSI { 184}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HN ))
3.500 1.500 1.500 peak 184 spectrum 1 weight 0.10000E+01 volume 0.13775E-02 ppm1 3.617 ppm2 7.667 CV 1
ASSI { 185}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HN ))
2.900 1.000 1.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.37812E-02 ppm1 3.521 ppm2 7.667 CV 1
ASSI { 189}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
2.900 1.000 1.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.29200E-02 ppm1 4.393 ppm2 7.661 CV 1
ASSI { 190}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
2.300 0.700 0.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.81360E-02 ppm1 2.530 ppm2 7.661 CV 1
ASSI { 191}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HN ))
3.300 1.400 1.400 peak 191 spectrum 1 weight 0.10000E+01 volume 0.35665E-02 ppm1 2.850 ppm2 7.661 CV 1
ASSI { 198}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HN ))
2.800 1.000 1.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.31397E-02 ppm1 4.817 ppm2 6.730 CV 1
ASSI { 199}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HN ))
4.100 2.100 1.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.15866E-02 ppm1 3.067 ppm2 6.730 CV 1
ASSI { 200}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HN ))
2.400 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.51538E-02 ppm1 2.874 ppm2 6.730 CV 1
ASSI { 203}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HB3 ))
1.400 0.200 0.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.88184E-01 ppm1 2.874 ppm2 3.067 CV 1
ASSI { 204}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
2.900 1.100 1.100 peak 204 spectrum 1 weight 0.10000E+01 volume 0.29776E-02 ppm1 4.191 ppm2 7.232 CV 1
ASSI { 205}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.500 1.500 1.500 peak 205 spectrum 1 weight 0.10000E+01 volume 0.13391E-02 ppm1 2.788 ppm2 7.232 CV 1
ASSI { 206}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
2.400 0.700 0.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.66650E-02 ppm1 2.656 ppm2 7.232 CV 1
ASSI { 209}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HB3 ))
2.100 0.600 0.600 peak 209 spectrum 1 weight 0.10000E+01 volume 0.82069E-02 ppm1 2.656 ppm2 2.788 CV 1
ASSI { 210}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
3.000 1.100 1.100 peak 210 spectrum 1 weight 0.10000E+01 volume 0.29477E-02 ppm1 4.495 ppm2 7.378 CV 1
ASSI { 211}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HN ))
2.800 1.000 1.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.47683E-02 ppm1 3.056 ppm2 7.378 CV 1
OR { 211}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HN ))
ASSI { 212}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HA ))
3.600 1.600 1.600 peak 212 spectrum 1 weight 0.10000E+01 volume 0.99921E-03 ppm1 3.057 ppm2 4.488 CV 1
OR { 212}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HA ))
ASSI { 215}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 2 and name HN ))
2.900 2.900 3.100 peak 215 spectrum 1 weight 0.10000E+01 volume 0.35850E-02 ppm1 2.173 ppm2 8.230 CV 1
ASSI { 216}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 30 and name HA ))
6.000 4.500 0.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.173 ppm2 4.535 CV 1
ASSI { 217}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 30 and name HA ))
6.000 4.500 0.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.647 ppm2 4.534 CV 1
ASSI { 223}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HB3 ))
1.500 0.300 0.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.32151E-01 ppm1 1.387 ppm2 1.795 CV 1
ASSI { 226}
( segid " " and resid 9 and name HB% )
( segid " " and resid 8 and name HD2%)
6.000 4.500 0.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.248 ppm2 1.407 CV 1
ASSI { 227}
( segid " " and resid 11 and name HG2%)
( segid " " and resid 8 and name HD2%)
3.500 1.500 1.500 peak 227 spectrum 1 weight 0.10000E+01 volume 0.12801E-02 ppm1 1.043 ppm2 1.407 CV 1
ASSI { 229}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HN ))
2.400 0.700 0.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.58294E-02 ppm1 1.387 ppm2 8.646 CV 1
ASSI { 231}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HE ))
4.000 2.000 2.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.38424E-03 ppm1 1.246 ppm2 7.211 CV 1
ASSI { 232}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HE ))
4.200 2.200 1.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.35729E-03 ppm1 1.034 ppm2 7.211 CV 1
ASSI { 234}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HA ))
2.400 0.700 0.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.40686E-02 ppm1 1.387 ppm2 3.427 CV 1
ASSI { 240}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 37 and name HZ% )
6.000 4.700 0.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.13789E-03 ppm1 4.387 ppm2 7.324 CV 1
ASSI { 241}
(( segid " " and resid 37 and name HE3 ))
( segid " " and resid 37 and name HZ% )
3.900 1.900 1.900 peak 241 spectrum 1 weight 0.10000E+01 volume 0.47334E-03 ppm1 2.642 ppm2 7.323 CV 1
ASSI { 242}
(( segid " " and resid 37 and name HE3 ))
(( segid " " and resid 37 and name HN ))
6.000 5.400 0.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.35771E-04 ppm1 2.642 ppm2 8.955 CV 1
ASSI { 243}
(( segid " " and resid 37 and name HE2 ))
( segid " " and resid 37 and name HZ% )
3.500 1.500 1.500 peak 243 spectrum 1 weight 0.10000E+01 volume 0.94584E-03 ppm1 2.490 ppm2 7.323 CV 1
ASSI { 244}
(( segid " " and resid 37 and name HE2 ))
(( segid " " and resid 37 and name HN ))
6.000 4.500 0.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.490 ppm2 8.955 CV 1
ASSI { 245}
(( segid " " and resid 32 and name HG12))
( segid " " and resid 37 and name HZ% )
6.000 4.500 0.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.825 ppm2 7.324 CV 1
OR { 245}
(( segid " " and resid 32 and name HG13))
( segid " " and resid 37 and name HZ% )
ASSI { 251}
(( segid " " and resid 37 and name HE2 ))
(( segid " " and resid 37 and name HE3 ))
2.000 0.500 0.500 peak 251 spectrum 1 weight 0.10000E+01 volume 0.10745E-01 ppm1 2.490 ppm2 2.642 CV 1
ASSI { 252}
(( segid " " and resid 37 and name HE3 ))
(( segid " " and resid 37 and name HA ))
6.000 4.500 0.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.642 ppm2 4.375 CV 1
ASSI { 253}
(( segid " " and resid 37 and name HE2 ))
(( segid " " and resid 37 and name HA ))
6.000 4.500 0.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.490 ppm2 4.375 CV 1
ASSI { 254}
(( segid " " and resid 37 and name HD3 ))
(( segid " " and resid 37 and name HE2 ))
2.400 0.700 0.700 peak 254 spectrum 1 weight 0.10000E+01 volume 0.92951E-02 ppm1 1.305 ppm2 2.490 CV 1
OR { 254}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HE2 ))
ASSI { 255}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HE3 ))
2.400 0.700 0.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.78226E-02 ppm1 1.305 ppm2 2.642 CV 1
OR { 255}
(( segid " " and resid 37 and name HD3 ))
(( segid " " and resid 37 and name HE3 ))
ASSI { 256}
(( segid " " and resid 37 and name HD3 ))
( segid " " and resid 37 and name HZ% )
3.900 1.900 1.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.61451E-03 ppm1 1.305 ppm2 7.323 CV 1
OR { 256}
(( segid " " and resid 37 and name HD2 ))
( segid " " and resid 37 and name HZ% )
ASSI { 262}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
2.600 0.800 0.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.60960E-02 ppm1 4.178 ppm2 7.070 CV 1
ASSI { 263}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HN ))
3.200 1.300 1.300 peak 263 spectrum 1 weight 0.10000E+01 volume 0.44433E-02 ppm1 2.673 ppm2 7.070 CV 1
ASSI { 265}
(( segid " " and resid 34 and name HE2 ))
( segid " " and resid 34 and name HZ% )
3.100 3.100 2.900 peak 265 spectrum 1 weight 0.10000E+01 volume 0.21641E-02 ppm1 2.842 ppm2 7.379 CV 1
OR { 265}
(( segid " " and resid 34 and name HE3 ))
( segid " " and resid 34 and name HZ% )
ASSI { 266}
(( segid " " and resid 34 and name HE3 ))
(( segid " " and resid 34 and name HA ))
6.000 4.500 0.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.842 ppm2 3.764 CV 1
OR { 266}
(( segid " " and resid 34 and name HE2 ))
(( segid " " and resid 34 and name HA ))
ASSI { 268}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HE3 ))
3.800 1.800 1.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.12374E-02 ppm1 2.003 ppm2 2.842 CV 1
OR { 268}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HE2 ))
ASSI { 269}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HE3 ))
4.100 2.100 1.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.77656E-03 ppm1 2.091 ppm2 2.842 CV 1
OR { 269}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HE2 ))
ASSI { 270}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 34 and name HE3 ))
6.000 4.500 0.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.209 ppm2 2.842 CV 1
OR { 270}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HE3 ))
OR { 270}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HE2 ))
OR { 270}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 34 and name HE2 ))
ASSI { 272}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HN ))
3.100 1.200 1.200 peak 272 spectrum 1 weight 0.10000E+01 volume 0.21356E-02 ppm1 4.344 ppm2 7.454 CV 1
ASSI { 273}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HN ))
3.300 1.400 1.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.19799E-02 ppm1 0.993 ppm2 7.454 CV 1
ASSI { 275}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 39 and name HD% )
2.900 1.100 1.100 peak 275 spectrum 1 weight 0.10000E+01 volume 0.45372E-02 ppm1 4.316 ppm2 6.816 CV 1
ASSI { 276}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 39 and name HD% )
2.700 0.900 0.900 peak 276 spectrum 1 weight 0.10000E+01 volume 0.38929E-02 ppm1 3.071 ppm2 6.816 CV 1
ASSI { 277}
(( segid " " and resid 39 and name HB2 ))
( segid " " and resid 39 and name HD% )
2.800 1.000 1.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.48152E-02 ppm1 2.291 ppm2 6.816 CV 1
ASSI { 278}
(( segid " " and resid 39 and name HB2 ))
( segid " " and resid 39 and name HE% )
5.000 3.100 1.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.48337E-03 ppm1 2.289 ppm2 7.574 CV 1
ASSI { 279}
(( segid " " and resid 39 and name HB3 ))
( segid " " and resid 39 and name HE% )
5.100 3.200 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.47299E-03 ppm1 3.072 ppm2 7.574 CV 1
ASSI { 285}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HD2 ))
2.600 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.40223E-02 ppm1 1.596 ppm2 3.180 CV 1
OR { 285}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HD2 ))
ASSI { 286}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HD2 ))
3.200 1.200 1.200 peak 286 spectrum 1 weight 0.10000E+01 volume 0.61146E-02 ppm1 1.757 ppm2 3.180 CV 1
OR { 286}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HD2 ))
ASSI { 289}
(( segid " " and resid 27 and name HD2 ))
(( segid " " and resid 27 and name HA ))
6.000 4.500 0.000 peak 289 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.180 ppm2 4.382 CV 1
ASSI { 290}
(( segid " " and resid 27 and name HD3 ))
(( segid " " and resid 27 and name HA ))
6.000 6.000 0.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.11663E-04 ppm1 3.628 ppm2 4.382 CV 1
ASSI { 298}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HG2 ))
2.400 0.700 0.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.47114E-02 ppm1 1.610 ppm2 1.977 CV 1
ASSI { 301}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
3.200 1.300 1.300 peak 301 spectrum 1 weight 0.10000E+01 volume 0.17203E-02 ppm1 4.580 ppm2 8.202 CV 1
ASSI { 302}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 24 and name HN ))
3.500 1.600 1.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.12388E-02 ppm1 4.229 ppm2 8.202 CV 1
ASSI { 304}
(( segid " " and resid 25 and name HA2 ))
(( segid " " and resid 25 and name HN ))
2.900 1.000 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.47363E-02 ppm1 4.559 ppm2 8.089 CV 1
ASSI { 305}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 25 and name HN ))
2.200 0.600 0.600 peak 305 spectrum 1 weight 0.10000E+01 volume 0.10255E-01 ppm1 3.600 ppm2 8.089 CV 1
ASSI { 309}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HN ))
2.600 0.800 0.800 peak 309 spectrum 1 weight 0.10000E+01 volume 0.57575E-02 ppm1 1.583 ppm2 8.223 CV 1
ASSI { 310}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HN ))
3.900 1.900 1.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.12858E-02 ppm1 1.431 ppm2 8.224 CV 1
OR { 310}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HN ))
ASSI { 311}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 30 and name HN ))
2.600 0.800 0.800 peak 311 spectrum 1 weight 0.10000E+01 volume 0.64317E-02 ppm1 1.312 ppm2 8.223 CV 1
ASSI { 315}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HN ))
3.000 1.100 1.100 peak 315 spectrum 1 weight 0.10000E+01 volume 0.27216E-02 ppm1 1.682 ppm2 8.223 CV 1
ASSI { 319}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HB2 ))
6.000 4.500 0.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.431 ppm2 1.582 CV 1
OR { 319}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HB2 ))
ASSI { 321}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HB3 ))
6.000 4.500 0.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.606 ppm2 1.689 CV 1
ASSI { 324}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 24 and name HN ))
2.800 1.000 1.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.45763E-02 ppm1 0.988 ppm2 8.202 CV 1
ASSI { 325}
(( segid " " and resid 40 and name HA2 ))
(( segid " " and resid 41 and name HN ))
2.700 0.900 0.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.92027E-02 ppm1 4.096 ppm2 8.746 CV 1
ASSI { 326}
(( segid " " and resid 40 and name HA1 ))
(( segid " " and resid 41 and name HN ))
2.600 0.900 0.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.50379E-02 ppm1 3.696 ppm2 8.746 CV 1
ASSI { 327}
( segid " " and resid 39 and name HD% )
(( segid " " and resid 39 and name HN ))
2.900 1.000 1.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.24478E-02 ppm1 6.816 ppm2 8.104 CV 1
ASSI { 328}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 40 and name HN ))
3.500 1.600 1.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.92666E-03 ppm1 4.317 ppm2 9.413 CV 1
ASSI { 329}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 40 and name HN ))
4.100 2.100 1.900 peak 329 spectrum 1 weight 0.10000E+01 volume 0.64779E-03 ppm1 2.292 ppm2 9.413 CV 1
ASSI { 330}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 40 and name HN ))
4.500 2.600 1.500 peak 330 spectrum 1 weight 0.10000E+01 volume 0.47626E-03 ppm1 3.072 ppm2 9.413 CV 1
ASSI { 331}
( segid " " and resid 39 and name HD% )
(( segid " " and resid 40 and name HN ))
3.800 1.800 1.800 peak 331 spectrum 1 weight 0.10000E+01 volume 0.26775E-03 ppm1 6.817 ppm2 9.413 CV 1
ASSI { 332}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HN ))
2.600 0.800 0.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.52711E-02 ppm1 8.104 ppm2 9.413 CV 1
ASSI { 340}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 29 and name HN ))
4.300 2.300 1.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.10397E-02 ppm1 2.622 ppm2 8.104 CV 1
ASSI { 341}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 29 and name HN ))
4.200 2.200 1.800 peak 341 spectrum 1 weight 0.10000E+01 volume 0.90102E-03 ppm1 2.673 ppm2 8.104 CV 1
ASSI { 343}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HN ))
2.800 1.000 1.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.25694E-02 ppm1 2.622 ppm2 7.070 CV 1
ASSI { 346}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
3.200 1.300 1.300 peak 346 spectrum 1 weight 0.10000E+01 volume 0.14600E-02 ppm1 4.375 ppm2 7.071 CV 1
ASSI { 347}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 37 and name HN ))
3.900 1.900 1.900 peak 347 spectrum 1 weight 0.10000E+01 volume 0.14565E-02 ppm1 2.365 ppm2 8.956 CV 1
ASSI { 348}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 37 and name HN ))
6.000 6.000 0.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.29869E-04 ppm1 2.659 ppm2 8.956 CV 1
ASSI { 349}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HN ))
2.000 0.500 0.500 peak 349 spectrum 1 weight 0.10000E+01 volume 0.20282E-01 ppm1 4.512 ppm2 8.956 CV 1
ASSI { 350}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HN ))
2.200 0.600 0.600 peak 350 spectrum 1 weight 0.10000E+01 volume 0.12744E-01 ppm1 5.161 ppm2 8.697 CV 1
ASSI { 351}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HN ))
3.200 1.200 1.200 peak 351 spectrum 1 weight 0.10000E+01 volume 0.18284E-02 ppm1 3.614 ppm2 8.692 CV 1
ASSI { 352}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 36 and name HN ))
4.100 2.100 1.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.78511E-03 ppm1 3.521 ppm2 8.697 CV 1
ASSI { 354}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HN ))
3.900 1.900 1.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.75881E-03 ppm1 2.003 ppm2 8.356 CV 1
ASSI { 355}
(( segid " " and resid 34 and name HB2 ))
( segid " " and resid 34 and name HZ% )
6.000 4.500 0.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.003 ppm2 7.379 CV 1
ASSI { 358}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 35 and name HN ))
4.700 2.700 1.300 peak 358 spectrum 1 weight 0.10000E+01 volume 0.28212E-03 ppm1 2.003 ppm2 7.668 CV 1
ASSI { 359}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 35 and name HN ))
4.700 2.800 1.300 peak 359 spectrum 1 weight 0.10000E+01 volume 0.25090E-03 ppm1 2.091 ppm2 7.668 CV 1
ASSI { 360}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HN ))
2.900 1.100 1.100 peak 360 spectrum 1 weight 0.10000E+01 volume 0.29591E-02 ppm1 7.662 ppm2 8.356 CV 1
ASSI { 364}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 18 and name HN ))
2.400 0.700 0.700 peak 364 spectrum 1 weight 0.10000E+01 volume 0.54518E-02 ppm1 2.874 ppm2 8.980 CV 1
ASSI { 365}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 18 and name HN ))
3.600 1.600 1.600 peak 365 spectrum 1 weight 0.10000E+01 volume 0.14927E-02 ppm1 3.068 ppm2 8.979 CV 1
ASSI { 366}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
3.900 1.900 1.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.61529E-03 ppm1 4.817 ppm2 8.980 CV 1
ASSI { 367}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
2.900 1.000 1.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.29926E-02 ppm1 6.730 ppm2 8.980 CV 1
ASSI { 368}
( segid " " and resid 17 and name HD% )
(( segid " " and resid 18 and name HN ))
5.000 3.100 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.45343E-03 ppm1 7.082 ppm2 8.980 CV 1
ASSI { 369}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.300 1.400 1.400 peak 369 spectrum 1 weight 0.10000E+01 volume 0.14308E-02 ppm1 2.530 ppm2 6.731 CV 1
ASSI { 370}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 17 and name HN ))
3.200 1.300 1.300 peak 370 spectrum 1 weight 0.10000E+01 volume 0.26000E-02 ppm1 2.850 ppm2 6.731 CV 1
ASSI { 371}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HN ))
3.500 1.500 1.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.98496E-03 ppm1 4.394 ppm2 6.731 CV 1
ASSI { 372}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
2.200 0.600 0.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.10298E-01 ppm1 6.731 ppm2 7.662 CV 1
ASSI { 373}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
4.100 2.100 1.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.70938E-03 ppm1 2.659 ppm2 7.661 CV 1
ASSI { 375}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
3.600 1.600 1.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.10596E-02 ppm1 4.192 ppm2 7.662 CV 1
ASSI { 376}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
2.500 0.800 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.56779E-02 ppm1 7.233 ppm2 7.662 CV 1
ASSI { 377}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
4.100 2.100 1.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.60029E-03 ppm1 4.493 ppm2 8.646 CV 1
ASSI { 378}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 21 and name HN ))
3.400 1.500 1.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.22636E-02 ppm1 2.884 ppm2 8.646 CV 1
ASSI { 379}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 21 and name HN ))
3.700 1.700 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.40394E-03 ppm1 3.338 ppm2 8.646 CV 1
ASSI { 380}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
2.600 0.800 0.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.60882E-02 ppm1 8.115 ppm2 8.646 CV 1
ASSI { 385}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
2.600 0.900 0.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.44924E-02 ppm1 7.856 ppm2 8.645 CV 1
ASSI { 390}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
3.600 1.700 1.700 peak 390 spectrum 1 weight 0.10000E+01 volume 0.87683E-03 ppm1 4.047 ppm2 8.202 CV 1
ASSI { 391}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
2.900 1.000 1.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.39782E-02 ppm1 2.044 ppm2 8.202 CV 1
OR { 391}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 24 and name HN ))
ASSI { 394}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 25 and name HN ))
2.800 1.000 1.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.23838E-02 ppm1 3.427 ppm2 8.090 CV 1
ASSI { 395}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 26 and name HN ))
2.600 0.800 0.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.43430E-02 ppm1 3.427 ppm2 8.147 CV 1
ASSI { 396}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 24 and name HN ))
4.300 2.300 1.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.85550E-03 ppm1 3.427 ppm2 8.201 CV 1
ASSI { 397}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
2.100 2.100 3.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.19457E-01 ppm1 4.165 ppm2 8.357 CV 1
ASSI { 398}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HN ))
3.000 1.100 1.100 peak 398 spectrum 1 weight 0.10000E+01 volume 0.29385E-02 ppm1 8.356 ppm2 9.318 CV 1
ASSI { 399}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
4.900 3.000 1.100 peak 399 spectrum 1 weight 0.10000E+01 volume 0.29783E-03 ppm1 8.676 ppm2 9.318 CV 1
ASSI { 400}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 39 and name HD% )
2.700 0.900 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.36632E-02 ppm1 5.237 ppm2 6.815 CV 1
ASSI { 401}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.600 0.900 0.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.45849E-02 ppm1 2.825 ppm2 8.378 CV 1
ASSI { 403}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
3.500 1.500 1.500 peak 403 spectrum 1 weight 0.10000E+01 volume 0.38403E-02 ppm1 1.498 ppm2 8.378 CV 1
ASSI { 404}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 14 and name HN ))
2.400 0.700 0.700 peak 404 spectrum 1 weight 0.10000E+01 volume 0.54930E-02 ppm1 1.158 ppm2 8.378 CV 1
OR { 404}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 14 and name HN ))
ASSI { 405}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 14 and name HA ))
3.100 1.200 1.200 peak 405 spectrum 1 weight 0.10000E+01 volume 0.45841E-02 ppm1 1.159 ppm2 2.824 CV 1
OR { 405}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 14 and name HA ))
ASSI { 408}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HB3 ))
6.000 4.500 0.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.499 ppm2 1.578 CV 1
ASSI { 409}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 14 and name HB3 ))
6.000 4.500 0.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.158 ppm2 1.578 CV 1
OR { 409}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 14 and name HB3 ))
ASSI { 410}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 14 and name HB2 ))
6.000 4.500 0.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.158 ppm2 1.497 CV 1
OR { 410}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 14 and name HB2 ))
ASSI { 411}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 1 and name HD1 ))
3.200 1.300 1.300 peak 411 spectrum 1 weight 0.10000E+01 volume 0.21029E-02 ppm1 3.215 ppm2 7.148 CV 1
OR { 411}
(( segid " " and resid 1 and name HB3 ))
(( segid " " and resid 1 and name HD1 ))
ASSI { 412}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 1 and name HD1 ))
6.000 4.500 0.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.201 ppm2 7.148 CV 1
ASSI { 414}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
2.200 0.600 0.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.12900E-01 ppm1 5.235 ppm2 8.223 CV 1
ASSI { 418}
( segid " " and resid 9 and name HB% )
(( segid " " and resid 10 and name HN ))
3.300 1.300 1.300 peak 418 spectrum 1 weight 0.10000E+01 volume 0.55406E-02 ppm1 1.252 ppm2 7.708 CV 1
ASSI { 419}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
2.100 0.500 0.500 peak 419 spectrum 1 weight 0.10000E+01 volume 0.15994E-01 ppm1 4.638 ppm2 7.708 CV 1
ASSI { 420}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HN ))
2.100 2.100 3.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.17025E-01 ppm1 7.713 ppm2 9.002 CV 1
ASSI { 421}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 11 and name HN ))
3.100 3.100 2.900 peak 421 spectrum 1 weight 0.10000E+01 volume 0.37535E-02 ppm1 3.139 ppm2 9.002 CV 1
ASSI { 422}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 11 and name HN ))
4.400 2.500 1.600 peak 422 spectrum 1 weight 0.10000E+01 volume 0.56651E-03 ppm1 2.822 ppm2 9.002 CV 1
ASSI { 423}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
3.000 1.100 1.100 peak 423 spectrum 1 weight 0.10000E+01 volume 0.30366E-02 ppm1 4.274 ppm2 7.716 CV 1
ASSI { 424}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 12 and name HN ))
3.800 1.800 1.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.79219E-03 ppm1 4.084 ppm2 7.716 CV 1
ASSI { 425}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 12 and name HN ))
4.400 2.500 1.600 peak 425 spectrum 1 weight 0.10000E+01 volume 0.49532E-03 ppm1 1.030 ppm2 7.716 CV 1
ASSI { 426}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 11 and name HN ))
4.000 2.000 2.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.83278E-03 ppm1 2.656 ppm2 9.007 CV 1
ASSI { 427}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 11 and name HN ))
4.300 2.300 1.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.38196E-03 ppm1 2.794 ppm2 9.006 CV 1
ASSI { 428}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 12 and name HN ))
3.700 1.700 1.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.12232E-02 ppm1 2.651 ppm2 7.716 CV 1
ASSI { 429}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 12 and name HN ))
3.600 1.600 1.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.11976E-02 ppm1 2.789 ppm2 7.716 CV 1
ASSI { 433}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 32 and name HN ))
3.500 1.500 1.500 peak 433 spectrum 1 weight 0.10000E+01 volume 0.19130E-02 ppm1 1.235 ppm2 8.676 CV 1
ASSI { 434}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 32 and name HB ))
6.000 4.500 0.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.235 ppm2 1.554 CV 1
ASSI { 435}
(( segid " " and resid 32 and name HG12))
( segid " " and resid 32 and name HG2%)
2.100 0.500 0.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.23717E-01 ppm1 0.799 ppm2 1.235 CV 1
OR { 435}
(( segid " " and resid 32 and name HG13))
( segid " " and resid 32 and name HG2%)
ASSI { 436}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 38 and name HN ))
6.000 4.500 0.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.696 ppm2 8.641 CV 1
ASSI { 438}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 33 and name HN ))
4.200 2.300 1.800 peak 438 spectrum 1 weight 0.10000E+01 volume 0.29655E-03 ppm1 1.554 ppm2 9.318 CV 1
ASSI { 439}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 33 and name HN ))
5.200 3.300 0.800 peak 439 spectrum 1 weight 0.10000E+01 volume 0.19500E-03 ppm1 1.235 ppm2 9.318 CV 1
ASSI { 440}
(( segid " " and resid 32 and name HG13))
(( segid " " and resid 33 and name HN ))
6.000 4.900 0.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.95508E-04 ppm1 0.799 ppm2 9.318 CV 1
OR { 440}
(( segid " " and resid 32 and name HG12))
(( segid " " and resid 33 and name HN ))
ASSI { 441}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 33 and name HN ))
3.200 1.300 1.300 peak 441 spectrum 1 weight 0.10000E+01 volume 0.35700E-02 ppm1 0.698 ppm2 9.318 CV 1
ASSI { 442}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
2.100 0.500 0.500 peak 442 spectrum 1 weight 0.10000E+01 volume 0.20467E-01 ppm1 4.129 ppm2 9.318 CV 1
ASSI { 443}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 33 and name HN ))
4.700 2.700 1.300 peak 443 spectrum 1 weight 0.10000E+01 volume 0.28105E-03 ppm1 7.661 ppm2 9.318 CV 1
ASSI { 444}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 32 and name HN ))
2.800 1.000 1.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.30921E-02 ppm1 7.663 ppm2 8.676 CV 1
ASSI { 445}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 37 and name HN ))
2.900 1.000 1.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.28681E-02 ppm1 8.223 ppm2 8.955 CV 1
ASSI { 448}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 32 and name HN ))
3.800 1.800 1.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.13171E-02 ppm1 4.515 ppm2 8.677 CV 1
ASSI { 450}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 8 and name HN ))
5.000 3.100 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.24400E-03 ppm1 2.713 ppm2 8.041 CV 1
ASSI { 451}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 8 and name HN ))
4.800 2.900 1.200 peak 451 spectrum 1 weight 0.10000E+01 volume 0.31924E-03 ppm1 2.517 ppm2 8.041 CV 1
ASSI { 452}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
2.400 0.700 0.700 peak 452 spectrum 1 weight 0.10000E+01 volume 0.10788E-01 ppm1 4.472 ppm2 8.041 CV 1
ASSI { 454}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
2.200 0.600 0.600 peak 454 spectrum 1 weight 0.10000E+01 volume 0.12829E-01 ppm1 4.254 ppm2 8.025 CV 1
ASSI { 455}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 3 and name HN ))
2.400 0.700 0.700 peak 455 spectrum 1 weight 0.10000E+01 volume 0.89177E-02 ppm1 4.377 ppm2 8.692 CV 1
ASSI { 456}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 3 and name HN ))
5.000 3.200 1.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.29641E-03 ppm1 2.975 ppm2 8.692 CV 1
ASSI { 457}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 3 and name HN ))
4.000 2.000 2.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.13533E-02 ppm1 3.234 ppm2 8.692 CV 1
ASSI { 458}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HN ))
3.900 1.900 1.900 peak 458 spectrum 1 weight 0.10000E+01 volume 0.79150E-03 ppm1 3.938 ppm2 7.454 CV 1
ASSI { 459}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.802 ppm2 7.454 CV 1
ASSI { 460}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 4 and name HN ))
6.000 4.500 0.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.609 ppm2 7.454 CV 1
ASSI { 462}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HN ))
2.900 1.100 1.100 peak 462 spectrum 1 weight 0.10000E+01 volume 0.27742E-02 ppm1 7.455 ppm2 8.692 CV 1
ASSI { 463}
(( segid " " and resid 1 and name HD1 ))
(( segid " " and resid 1 and name HE1 ))
2.900 1.100 1.100 peak 463 spectrum 1 weight 0.10000E+01 volume 0.36938E-02 ppm1 7.149 ppm2 10.135 CV 1
ASSI { 464}
(( segid " " and resid 25 and name HA2 ))
(( segid " " and resid 26 and name HN ))
3.000 1.200 1.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.22928E-02 ppm1 4.562 ppm2 8.149 CV 1
ASSI { 465}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 26 and name HN ))
3.300 1.400 1.400 peak 465 spectrum 1 weight 0.10000E+01 volume 0.25666E-02 ppm1 3.604 ppm2 8.149 CV 1
ASSI { 468}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
3.800 1.800 1.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.70910E-03 ppm1 2.834 ppm2 7.233 CV 1
ASSI { 469}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 15 and name HN ))
4.800 2.900 1.200 peak 469 spectrum 1 weight 0.10000E+01 volume 0.38282E-03 ppm1 1.584 ppm2 7.233 CV 1
ASSI { 470}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 15 and name HN ))
4.200 2.200 1.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.65583E-03 ppm1 1.497 ppm2 7.233 CV 1
ASSI { 471}
(( segid " " and resid 14 and name HG3 ))
(( segid " " and resid 15 and name HN ))
3.100 1.200 1.200 peak 471 spectrum 1 weight 0.10000E+01 volume 0.15319E-02 ppm1 1.164 ppm2 7.230 CV 1
OR { 471}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 15 and name HN ))
ASSI { 472}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
2.800 1.000 1.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.32948E-02 ppm1 7.230 ppm2 8.379 CV 1
ASSI { 475}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HN ))
3.300 1.300 1.300 peak 475 spectrum 1 weight 0.10000E+01 volume 0.16229E-02 ppm1 4.341 ppm2 7.378 CV 1
ASSI { 483}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 20 and name HN ))
5.200 3.400 0.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.15205E-03 ppm1 1.976 ppm2 8.116 CV 1
ASSI { 484}
(( segid " " and resid 19 and name HG3 ))
(( segid " " and resid 20 and name HN ))
3.600 1.600 1.600 peak 484 spectrum 1 weight 0.10000E+01 volume 0.37251E-02 ppm1 2.100 ppm2 8.117 CV 1
ASSI { 485}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.400 0.700 0.700 peak 485 spectrum 1 weight 0.10000E+01 volume 0.49141E-02 ppm1 1.611 ppm2 8.116 CV 1
ASSI { 486}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 18 and name HN ))
4.400 2.400 1.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.92520E-03 ppm1 1.611 ppm2 8.979 CV 1
ASSI { 488}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HB3 ))
1.800 0.400 0.400 peak 488 spectrum 1 weight 0.10000E+01 volume 0.44191E-01 ppm1 1.596 ppm2 1.757 CV 1
OR { 488}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HB2 ))
OR { 488}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HB3 ))
OR { 488}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HB2 ))
ASSI { 489}
(( segid " " and resid 27 and name HD3 ))
(( segid " " and resid 28 and name HN ))
3.600 1.600 1.600 peak 489 spectrum 1 weight 0.10000E+01 volume 0.30231E-02 ppm1 3.630 ppm2 7.071 CV 1
ASSI { 490}
(( segid " " and resid 27 and name HD2 ))
(( segid " " and resid 28 and name HN ))
6.000 4.500 0.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.180 ppm2 7.071 CV 1
ASSI { 491}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 28 and name HN ))
4.000 2.000 2.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.73391E-03 ppm1 1.759 ppm2 7.073 CV 1
OR { 491}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 28 and name HN ))
ASSI { 492}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 28 and name HN ))
2.700 0.900 0.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.56722E-02 ppm1 1.598 ppm2 7.072 CV 1
OR { 492}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 28 and name HN ))
ASSI { 493}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 10 and name HB3 ))
3.400 1.500 1.500 peak 493 spectrum 1 weight 0.10000E+01 volume 0.17808E-02 ppm1 2.167 ppm2 3.140 CV 1
ASSI { 494}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 10 and name HB3 ))
2.700 2.700 3.300 peak 494 spectrum 1 weight 0.10000E+01 volume 0.84341E-02 ppm1 2.651 ppm2 3.140 CV 1
ASSI { 495}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 39 and name HE% )
4.700 2.700 1.300 peak 495 spectrum 1 weight 0.10000E+01 volume 0.30402E-03 ppm1 4.180 ppm2 7.572 CV 1
ASSI { 496}
(( segid " " and resid 28 and name HB3 ))
( segid " " and resid 39 and name HE% )
3.600 1.600 1.600 peak 496 spectrum 1 weight 0.10000E+01 volume 0.91172E-03 ppm1 2.674 ppm2 7.573 CV 1
ASSI { 497}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 39 and name HE% )
3.400 1.400 1.400 peak 497 spectrum 1 weight 0.10000E+01 volume 0.31938E-02 ppm1 2.623 ppm2 7.571 CV 1
ASSI { 498}
( segid " " and resid 39 and name HD% )
( segid " " and resid 39 and name HE% )
1.800 0.400 0.400 peak 498 spectrum 1 weight 0.10000E+01 volume 0.51737E-01 ppm1 6.809 ppm2 7.573 CV 1
ASSI { 499}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 39 and name HD% )
4.700 2.700 1.300 peak 499 spectrum 1 weight 0.10000E+01 volume 0.32472E-03 ppm1 4.181 ppm2 6.816 CV 1
ASSI { 501}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
3.700 1.700 1.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.75383E-03 ppm1 3.551 ppm2 8.379 CV 1
ASSI { 503}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HN ))
2.500 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.82354E-02 ppm1 3.761 ppm2 8.975 CV 1
OR { 503}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HN ))
ASSI { 506}
(( segid " " and resid 12 and name HA1 ))
(( segid " " and resid 13 and name HN ))
2.500 0.800 0.800 peak 506 spectrum 1 weight 0.10000E+01 volume 0.44653E-02 ppm1 3.790 ppm2 8.975 CV 1
ASSI { 507}
(( segid " " and resid 12 and name HA2 ))
(( segid " " and resid 13 and name HN ))
3.300 1.400 1.400 peak 507 spectrum 1 weight 0.10000E+01 volume 0.55648E-02 ppm1 4.308 ppm2 8.975 CV 1
ASSI { 509}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 1 and name HD1 ))
3.600 1.600 1.600 peak 509 spectrum 1 weight 0.10000E+01 volume 0.11222E-02 ppm1 2.311 ppm2 7.158 CV 1
ASSI { 510}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 1 and name HD1 ))
3.700 1.700 1.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.76378E-03 ppm1 2.205 ppm2 7.158 CV 1
ASSI { 511}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 28 and name HN ))
3.100 1.200 1.200 peak 511 spectrum 1 weight 0.10000E+01 volume 0.20709E-02 ppm1 3.571 ppm2 7.068 CV 1
ASSI { 512}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 28 and name HN ))
3.800 1.800 1.800 peak 512 spectrum 1 weight 0.10000E+01 volume 0.72254E-03 ppm1 1.943 ppm2 7.070 CV 1
ASSI { 517}
(( segid " " and resid 19 and name HD3 ))
(( segid " " and resid 18 and name HN ))
2.400 0.700 0.700 peak 517 spectrum 1 weight 0.10000E+01 volume 0.82924E-02 ppm1 3.513 ppm2 8.980 CV 1
OR { 517}
(( segid " " and resid 19 and name HD2 ))
(( segid " " and resid 18 and name HN ))
ASSI { 522}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 7 and name HN ))
3.400 1.500 1.500 peak 522 spectrum 1 weight 0.10000E+01 volume 0.22444E-02 ppm1 1.397 ppm2 8.355 CV 1
OR { 522}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 7 and name HN ))
ASSI { 524}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 30 and name HN ))
3.400 3.400 2.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.23653E-02 ppm1 3.751 ppm2 8.231 CV 1
OR { 524}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 30 and name HN ))
ASSI { 535}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HB2 ))
2.900 1.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.44149E-02 ppm1 1.022 ppm2 1.389 CV 1
ASSI { 537}
( segid " " and resid 8 and name HD2%)
(( segid " " and resid 19 and name HB2 ))
2.800 2.800 3.200 peak 537 spectrum 1 weight 0.10000E+01 volume 0.70305E-02 ppm1 1.420 ppm2 1.619 CV 1
ASSI { 541}
(( segid " " and resid 19 and name HD3 ))
(( segid " " and resid 17 and name HN ))
3.600 1.600 1.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.90248E-03 ppm1 3.503 ppm2 6.734 CV 1
OR { 541}
(( segid " " and resid 19 and name HD2 ))
(( segid " " and resid 17 and name HN ))
ASSI { 542}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 39 and name HD% )
3.200 1.300 1.300 peak 542 spectrum 1 weight 0.10000E+01 volume 0.18782E-02 ppm1 2.620 ppm2 6.819 CV 1
ASSI { 544}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 41 and name HN ))
4.200 2.200 1.800 peak 544 spectrum 1 weight 0.10000E+01 volume 0.71400E-03 ppm1 1.948 ppm2 8.752 CV 1
ASSI { 545}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 36 and name HN ))
3.200 1.300 1.300 peak 545 spectrum 1 weight 0.10000E+01 volume 0.20353E-02 ppm1 1.298 ppm2 8.701 CV 1
OR { 545}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 36 and name HN ))
ASSI { 552}
( segid " " and resid 29 and name HB% )
( segid " " and resid 39 and name HD% )
4.600 2.700 1.400 peak 552 spectrum 1 weight 0.10000E+01 volume 0.44952E-03 ppm1 1.314 ppm2 6.819 CV 1
ASSI { 560}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 19 and name HB3 ))
2.200 2.200 3.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.75881E-02 ppm1 1.758 ppm2 2.128 CV 1
ASSI { 563}
( segid " " and resid 8 and name HD2%)
(( segid " " and resid 8 and name HN ))
3.600 1.600 1.600 peak 563 spectrum 1 weight 0.10000E+01 volume 0.20062E-02 ppm1 1.410 ppm2 8.041 CV 1
ASSI { 565}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HE ))
4.100 2.100 1.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.54147E-03 ppm1 1.388 ppm2 7.211 CV 1
ASSI { 566}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HE ))
3.900 1.900 1.900 peak 566 spectrum 1 weight 0.10000E+01 volume 0.61864E-03 ppm1 1.795 ppm2 7.211 CV 1
ASSI { 567}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 38 and name HN ))
3.800 1.800 1.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.15240E-02 ppm1 1.568 ppm2 8.647 CV 1
ASSI { 568}
(( segid " " and resid 21 and name HD2 ))
(( segid " " and resid 21 and name HE ))
3.100 1.200 1.200 peak 568 spectrum 1 weight 0.10000E+01 volume 0.20630E-02 ppm1 2.990 ppm2 7.212 CV 1
OR { 568}
(( segid " " and resid 21 and name HD3 ))
(( segid " " and resid 21 and name HE ))
ASSI { 573}
(( segid " " and resid 30 and name HG3 ))
(( segid " " and resid 30 and name HN ))
6.000 4.500 0.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.255 ppm2 8.226 CV 1
OR { 573}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HN ))
ASSI { 574}
( segid " " and resid 29 and name HB% )
( segid " " and resid 17 and name HD% )
2.500 0.800 0.800 peak 574 spectrum 1 weight 0.10000E+01 volume 0.65960E-02 ppm1 1.312 ppm2 7.081 CV 1
ASSI { 576}
(( segid " " and resid 28 and name HB3 ))
( segid " " and resid 39 and name HD% )
3.300 1.400 1.400 peak 576 spectrum 1 weight 0.10000E+01 volume 0.13391E-02 ppm1 2.674 ppm2 6.819 CV 1
ASSI { 8}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HA ))
2.100 0.500 0.500 peak 8 spectrum 2 weight 0.10000E+01 volume 0.20040E-01 ppm1 2.579 ppm2 4.165 CV 1
ASSI { 13}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 11 and name HA ))
2.500 0.800 0.800 peak 13 spectrum 2 weight 0.10000E+01 volume 0.71177E-02 ppm1 1.019 ppm2 4.272 CV 1
ASSI { 14}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 11 and name HA ))
2.600 0.900 0.900 peak 14 spectrum 2 weight 0.10000E+01 volume 0.53278E-02 ppm1 4.087 ppm2 4.272 CV 1
ASSI { 15}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 11 and name HB ))
2.200 0.600 0.600 peak 15 spectrum 2 weight 0.10000E+01 volume 0.14491E-01 ppm1 1.019 ppm2 4.086 CV 1
ASSI { 18}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 18 and name HA ))
2.400 0.700 0.700 peak 18 spectrum 2 weight 0.10000E+01 volume 0.79982E-02 ppm1 1.328 ppm2 4.247 CV 1
ASSI { 21}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB2 ))
2.400 0.700 0.700 peak 21 spectrum 2 weight 0.10000E+01 volume 0.80359E-02 ppm1 3.553 ppm2 3.736 CV 1
OR { 21}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB3 ))
ASSI { 22}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HN ))
3.000 1.100 1.100 peak 22 spectrum 2 weight 0.10000E+01 volume 0.19787E-02 ppm1 4.370 ppm2 8.949 CV 1
ASSI { 24}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HN ))
3.200 1.300 1.300 peak 24 spectrum 2 weight 0.10000E+01 volume 0.21463E-02 ppm1 1.455 ppm2 8.949 CV 1
ASSI { 27}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HA ))
2.500 0.800 0.800 peak 27 spectrum 2 weight 0.10000E+01 volume 0.46799E-02 ppm1 1.473 ppm2 4.373 CV 1
ASSI { 35}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HA ))
2.900 1.000 1.000 peak 35 spectrum 2 weight 0.10000E+01 volume 0.23153E-02 ppm1 2.675 ppm2 4.358 CV 1
ASSI { 36}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HA ))
2.800 1.000 1.000 peak 36 spectrum 2 weight 0.10000E+01 volume 0.49996E-02 ppm1 3.043 ppm2 4.358 CV 1
ASSI { 37}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HB3 ))
1.600 0.300 0.600 peak 37 spectrum 2 weight 0.10000E+01 volume 0.32152E-01 ppm1 2.675 ppm2 3.043 CV 1
ASSI { 41}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HA ))
2.700 0.900 0.900 peak 41 spectrum 2 weight 0.10000E+01 volume 0.43940E-02 ppm1 3.596 ppm2 3.926 CV 1
ASSI { 42}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 3 and name HA ))
2.900 1.100 1.100 peak 42 spectrum 2 weight 0.10000E+01 volume 0.26759E-02 ppm1 3.790 ppm2 3.926 CV 1
ASSI { 43}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HB3 ))
1.800 0.400 0.400 peak 43 spectrum 2 weight 0.10000E+01 volume 0.17534E-01 ppm1 3.596 ppm2 3.790 CV 1
ASSI { 47}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HA ))
2.500 0.800 0.800 peak 47 spectrum 2 weight 0.10000E+01 volume 0.37321E-02 ppm1 2.360 ppm2 4.517 CV 1
ASSI { 48}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HN ))
3.500 1.500 1.500 peak 48 spectrum 2 weight 0.10000E+01 volume 0.67332E-03 ppm1 2.659 ppm2 8.675 CV 1
ASSI { 54}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 32 and name HN ))
2.900 1.100 1.100 peak 54 spectrum 2 weight 0.10000E+01 volume 0.31519E-02 ppm1 1.544 ppm2 8.683 CV 1
ASSI { 57}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 32 and name HA ))
2.800 1.000 1.000 peak 57 spectrum 2 weight 0.10000E+01 volume 0.28843E-02 ppm1 1.544 ppm2 4.116 CV 1
ASSI { 58}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 32 and name HB ))
2.100 0.500 0.500 peak 58 spectrum 2 weight 0.10000E+01 volume 0.19435E-01 ppm1 0.698 ppm2 1.544 CV 1
ASSI { 64}
(( segid " " and resid 40 and name HA1 ))
(( segid " " and resid 40 and name HA2 ))
1.700 0.400 0.500 peak 64 spectrum 2 weight 0.10000E+01 volume 0.24745E-01 ppm1 3.687 ppm2 4.086 CV 1
ASSI { 69}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HA ))
2.900 1.000 1.000 peak 69 spectrum 2 weight 0.10000E+01 volume 0.17675E-02 ppm1 1.230 ppm2 3.429 CV 1
ASSI { 78}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HA ))
2.800 1.000 1.000 peak 78 spectrum 2 weight 0.10000E+01 volume 0.32490E-02 ppm1 1.025 ppm2 3.429 CV 1
ASSI { 86}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HA ))
2.500 0.800 0.800 peak 86 spectrum 2 weight 0.10000E+01 volume 0.72501E-02 ppm1 2.717 ppm2 4.466 CV 1
ASSI { 87}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HB3 ))
1.800 0.400 0.400 peak 87 spectrum 2 weight 0.10000E+01 volume 0.24759E-01 ppm1 2.517 ppm2 2.717 CV 1
ASSI { 97}
(( segid " " and resid 34 and name HB3 ))
(( segid " " and resid 34 and name HA ))
2.500 0.800 0.800 peak 97 spectrum 2 weight 0.10000E+01 volume 0.65685E-02 ppm1 2.091 ppm2 3.764 CV 1
ASSI { 98}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HA ))
2.600 0.800 0.800 peak 98 spectrum 2 weight 0.10000E+01 volume 0.57488E-02 ppm1 1.209 ppm2 3.764 CV 1
OR { 98}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 34 and name HA ))
ASSI { 99}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 34 and name HB2 ))
2.800 1.000 1.000 peak 99 spectrum 2 weight 0.10000E+01 volume 0.31688E-02 ppm1 1.209 ppm2 2.003 CV 1
OR { 99}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HB2 ))
ASSI { 105}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 2 and name HA ))
2.500 0.800 0.800 peak 105 spectrum 2 weight 0.10000E+01 volume 0.60066E-02 ppm1 2.966 ppm2 4.371 CV 1
ASSI { 106}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 2 and name HA ))
2.700 0.900 0.900 peak 106 spectrum 2 weight 0.10000E+01 volume 0.46503E-02 ppm1 3.216 ppm2 4.371 CV 1
ASSI { 111}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HA ))
3.300 1.300 1.300 peak 111 spectrum 2 weight 0.10000E+01 volume 0.18266E-02 ppm1 1.940 ppm2 4.917 CV 1
ASSI { 112}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HA ))
2.500 0.800 0.800 peak 112 spectrum 2 weight 0.10000E+01 volume 0.45081E-02 ppm1 3.570 ppm2 4.917 CV 1
ASSI { 121}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
3.700 1.700 1.700 peak 121 spectrum 2 weight 0.10000E+01 volume 0.14126E-02 ppm1 3.355 ppm2 8.115 CV 1
ASSI { 123}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HA ))
2.800 1.000 1.000 peak 123 spectrum 2 weight 0.10000E+01 volume 0.31899E-02 ppm1 2.888 ppm2 4.491 CV 1
ASSI { 124}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HA ))
2.800 0.900 0.900 peak 124 spectrum 2 weight 0.10000E+01 volume 0.39941E-02 ppm1 3.355 ppm2 4.491 CV 1
ASSI { 129}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HA ))
3.300 1.400 1.400 peak 129 spectrum 2 weight 0.10000E+01 volume 0.20632E-02 ppm1 2.291 ppm2 4.316 CV 1
ASSI { 130}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HA ))
2.600 0.800 0.800 peak 130 spectrum 2 weight 0.10000E+01 volume 0.46067E-02 ppm1 3.071 ppm2 4.316 CV 1
ASSI { 131}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HB3 ))
1.700 0.300 0.500 peak 131 spectrum 2 weight 0.10000E+01 volume 0.28744E-01 ppm1 2.291 ppm2 3.071 CV 1
ASSI { 134}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 29 and name HA ))
2.300 0.700 0.700 peak 134 spectrum 2 weight 0.10000E+01 volume 0.89108E-02 ppm1 1.315 ppm2 5.242 CV 1
ASSI { 140}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HA ))
3.000 1.100 1.100 peak 140 spectrum 2 weight 0.10000E+01 volume 0.17872E-02 ppm1 1.313 ppm2 4.251 CV 1
OR { 140}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HA ))
ASSI { 143}
( segid " " and resid 9 and name HB% )
(( segid " " and resid 9 and name HA ))
2.600 0.800 0.800 peak 143 spectrum 2 weight 0.10000E+01 volume 0.49447E-02 ppm1 1.232 ppm2 4.645 CV 1
ASSI { 144}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
3.000 1.100 1.100 peak 144 spectrum 2 weight 0.10000E+01 volume 0.23096E-02 ppm1 3.841 ppm2 7.858 CV 1
ASSI { 145}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HN ))
2.700 0.900 0.900 peak 145 spectrum 2 weight 0.10000E+01 volume 0.35518E-02 ppm1 1.847 ppm2 7.858 CV 1
ASSI { 146}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.500 0.800 0.800 peak 146 spectrum 2 weight 0.10000E+01 volume 0.45968E-02 ppm1 1.742 ppm2 7.858 CV 1
ASSI { 154}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HA ))
2.900 1.100 1.100 peak 154 spectrum 2 weight 0.10000E+01 volume 0.34631E-02 ppm1 1.847 ppm2 3.841 CV 1
ASSI { 155}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HA ))
2.400 0.700 0.700 peak 155 spectrum 2 weight 0.10000E+01 volume 0.59066E-02 ppm1 1.742 ppm2 3.841 CV 1
ASSI { 160}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HB3 ))
1.700 0.400 0.500 peak 160 spectrum 2 weight 0.10000E+01 volume 0.18013E-01 ppm1 1.742 ppm2 1.847 CV 1
ASSI { 164}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
3.200 1.300 1.300 peak 164 spectrum 2 weight 0.10000E+01 volume 0.14661E-02 ppm1 4.039 ppm2 7.730 CV 1
ASSI { 165}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HN ))
4.700 2.700 1.300 peak 165 spectrum 2 weight 0.10000E+01 volume 0.41377E-03 ppm1 2.310 ppm2 7.730 CV 1
ASSI { 166}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HN ))
4.400 2.400 1.600 peak 166 spectrum 2 weight 0.10000E+01 volume 0.39898E-03 ppm1 2.192 ppm2 7.730 CV 1
ASSI { 167}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
2.500 0.800 0.800 peak 167 spectrum 2 weight 0.10000E+01 volume 0.51249E-02 ppm1 2.044 ppm2 7.730 CV 1
OR { 167}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
ASSI { 168}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HA ))
2.400 0.700 0.700 peak 168 spectrum 2 weight 0.10000E+01 volume 0.84356E-02 ppm1 2.044 ppm2 4.039 CV 1
OR { 168}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HA ))
ASSI { 169}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HA ))
3.500 1.500 1.500 peak 169 spectrum 2 weight 0.10000E+01 volume 0.12099E-02 ppm1 2.192 ppm2 4.039 CV 1
ASSI { 170}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HA ))
3.300 1.400 1.400 peak 170 spectrum 2 weight 0.10000E+01 volume 0.16126E-02 ppm1 2.310 ppm2 4.039 CV 1
ASSI { 172}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HG3 ))
1.900 0.400 0.400 peak 172 spectrum 2 weight 0.10000E+01 volume 0.14280E-01 ppm1 2.192 ppm2 2.310 CV 1
ASSI { 173}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HG2 ))
2.500 0.800 0.800 peak 173 spectrum 2 weight 0.10000E+01 volume 0.62220E-02 ppm1 2.044 ppm2 2.192 CV 1
OR { 173}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HG2 ))
ASSI { 174}
(( segid " " and resid 12 and name HA1 ))
(( segid " " and resid 12 and name HA2 ))
1.700 0.300 0.500 peak 174 spectrum 2 weight 0.10000E+01 volume 0.28237E-01 ppm1 3.779 ppm2 4.302 CV 1
ASSI { 182}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HB3 ))
1.800 0.400 0.400 peak 182 spectrum 2 weight 0.10000E+01 volume 0.23153E-01 ppm1 2.829 ppm2 3.136 CV 1
ASSI { 186}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HA ))
2.800 1.000 1.000 peak 186 spectrum 2 weight 0.10000E+01 volume 0.29448E-02 ppm1 3.507 ppm2 5.170 CV 1
ASSI { 187}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HA ))
2.800 1.000 1.000 peak 187 spectrum 2 weight 0.10000E+01 volume 0.27138E-02 ppm1 3.603 ppm2 5.170 CV 1
ASSI { 188}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HB3 ))
1.800 0.400 0.400 peak 188 spectrum 2 weight 0.10000E+01 volume 0.17125E-01 ppm1 3.507 ppm2 3.603 CV 1
ASSI { 192}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HA ))
3.200 1.300 1.300 peak 192 spectrum 2 weight 0.10000E+01 volume 0.17210E-02 ppm1 2.527 ppm2 4.395 CV 1
ASSI { 193}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HA ))
2.400 0.700 0.700 peak 193 spectrum 2 weight 0.10000E+01 volume 0.67417E-02 ppm1 2.851 ppm2 4.395 CV 1
ASSI { 194}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HB3 ))
1.700 0.300 0.500 peak 194 spectrum 2 weight 0.10000E+01 volume 0.29068E-01 ppm1 2.527 ppm2 2.851 CV 1
ASSI { 201}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HA ))
2.900 1.100 1.100 peak 201 spectrum 2 weight 0.10000E+01 volume 0.34997E-02 ppm1 2.881 ppm2 4.832 CV 1
ASSI { 202}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HA ))
2.600 0.900 0.900 peak 202 spectrum 2 weight 0.10000E+01 volume 0.35884E-02 ppm1 3.069 ppm2 4.832 CV 1
ASSI { 207}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HA ))
2.600 0.900 0.900 peak 207 spectrum 2 weight 0.10000E+01 volume 0.47264E-02 ppm1 2.656 ppm2 4.191 CV 1
ASSI { 208}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HA ))
2.600 0.900 0.900 peak 208 spectrum 2 weight 0.10000E+01 volume 0.60685E-02 ppm1 2.788 ppm2 4.191 CV 1
ASSI { 217}
(( segid " " and resid 36 and name HB3 ))
(( segid " " and resid 36 and name HA ))
3.000 1.100 1.100 peak 217 spectrum 2 weight 0.10000E+01 volume 0.25970E-02 ppm1 2.657 ppm2 4.517 CV 1
ASSI { 218}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HB3 ))
1.800 0.400 0.400 peak 218 spectrum 2 weight 0.10000E+01 volume 0.21378E-01 ppm1 2.157 ppm2 2.638 CV 1
ASSI { 219}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HD2 ))
2.800 1.000 1.000 peak 219 spectrum 2 weight 0.10000E+01 volume 0.29026E-02 ppm1 1.022 ppm2 2.968 CV 1
OR { 219}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HD3 ))
ASSI { 220}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HD3 ))
2.600 0.800 0.800 peak 220 spectrum 2 weight 0.10000E+01 volume 0.45025E-02 ppm1 1.230 ppm2 2.968 CV 1
OR { 220}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HD2 ))
ASSI { 221}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HD3 ))
2.900 1.000 1.000 peak 221 spectrum 2 weight 0.10000E+01 volume 0.25308E-02 ppm1 1.383 ppm2 2.968 CV 1
OR { 221}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HD2 ))
ASSI { 222}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HD2 ))
2.700 0.900 0.900 peak 222 spectrum 2 weight 0.10000E+01 volume 0.35786E-02 ppm1 1.799 ppm2 2.971 CV 1
OR { 222}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HD3 ))
ASSI { 257}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HN ))
4.000 2.000 2.000 peak 257 spectrum 2 weight 0.10000E+01 volume 0.62009E-03 ppm1 1.316 ppm2 8.949 CV 1
OR { 257}
(( segid " " and resid 37 and name HD3 ))
(( segid " " and resid 37 and name HN ))
ASSI { 274}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HB ))
2.200 0.600 0.600 peak 274 spectrum 2 weight 0.10000E+01 volume 0.13714E-01 ppm1 0.993 ppm2 4.344 CV 1
ASSI { 282}
(( segid " " and resid 27 and name HD2 ))
(( segid " " and resid 27 and name HD3 ))
1.600 0.300 0.600 peak 282 spectrum 2 weight 0.10000E+01 volume 0.22604E-01 ppm1 3.180 ppm2 3.628 CV 1
ASSI { 283}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HD3 ))
2.900 1.000 1.000 peak 283 spectrum 2 weight 0.10000E+01 volume 0.37363E-02 ppm1 1.757 ppm2 3.628 CV 1
OR { 283}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HD3 ))
ASSI { 284}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HD3 ))
2.500 0.800 0.800 peak 284 spectrum 2 weight 0.10000E+01 volume 0.44659E-02 ppm1 1.596 ppm2 3.628 CV 1
OR { 284}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HD3 ))
ASSI { 287}
(( segid " " and resid 27 and name HG3 ))
(( segid " " and resid 27 and name HA ))
3.200 1.300 1.300 peak 287 spectrum 2 weight 0.10000E+01 volume 0.39251E-02 ppm1 1.596 ppm2 4.379 CV 1
OR { 287}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HA ))
ASSI { 288}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HA ))
2.600 0.900 0.900 peak 288 spectrum 2 weight 0.10000E+01 volume 0.32040E-02 ppm1 1.757 ppm2 4.379 CV 1
OR { 288}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HA ))
ASSI { 291}
(( segid " " and resid 19 and name HD2 ))
(( segid " " and resid 19 and name HA ))
3.200 1.300 1.300 peak 291 spectrum 2 weight 0.10000E+01 volume 0.17829E-02 ppm1 3.503 ppm2 4.204 CV 1
OR { 291}
(( segid " " and resid 19 and name HD3 ))
(( segid " " and resid 19 and name HA ))
ASSI { 292}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HA ))
2.200 0.600 0.600 peak 292 spectrum 2 weight 0.10000E+01 volume 0.88977E-02 ppm1 2.127 ppm2 4.204 CV 1
ASSI { 293}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HD2 ))
3.500 1.500 1.500 peak 293 spectrum 2 weight 0.10000E+01 volume 0.24984E-02 ppm1 2.127 ppm2 3.503 CV 1
OR { 293}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HD3 ))
ASSI { 294}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 19 and name HD3 ))
2.400 0.700 0.700 peak 294 spectrum 2 weight 0.10000E+01 volume 0.60333E-02 ppm1 1.977 ppm2 3.503 CV 1
OR { 294}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 19 and name HD2 ))
ASSI { 295}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 19 and name HA ))
4.200 2.200 1.800 peak 295 spectrum 2 weight 0.10000E+01 volume 0.99220E-03 ppm1 1.977 ppm2 4.204 CV 1
ASSI { 296}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 19 and name HG3 ))
1.600 0.300 0.600 peak 296 spectrum 2 weight 0.10000E+01 volume 0.22224E-01 ppm1 1.977 ppm2 2.101 CV 1
ASSI { 297}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HB3 ))
1.700 0.400 0.500 peak 297 spectrum 2 weight 0.10000E+01 volume 0.18506E-01 ppm1 1.610 ppm2 2.127 CV 1
ASSI { 299}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HD3 ))
3.700 1.700 1.700 peak 299 spectrum 2 weight 0.10000E+01 volume 0.10034E-02 ppm1 1.610 ppm2 3.503 CV 1
OR { 299}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HD2 ))
ASSI { 300}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HA ))
2.800 1.000 1.000 peak 300 spectrum 2 weight 0.10000E+01 volume 0.56221E-02 ppm1 1.610 ppm2 4.204 CV 1
ASSI { 303}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 24 and name HA ))
2.500 0.800 0.800 peak 303 spectrum 2 weight 0.10000E+01 volume 0.56897E-02 ppm1 4.226 ppm2 4.574 CV 1
ASSI { 306}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 25 and name HA2 ))
1.900 0.500 0.500 peak 306 spectrum 2 weight 0.10000E+01 volume 0.13623E-01 ppm1 3.586 ppm2 4.559 CV 1
ASSI { 307}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
3.100 1.200 1.200 peak 307 spectrum 2 weight 0.10000E+01 volume 0.14253E-02 ppm1 4.526 ppm2 8.236 CV 1
ASSI { 308}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HA ))
2.900 1.100 1.100 peak 308 spectrum 2 weight 0.10000E+01 volume 0.25519E-02 ppm1 1.690 ppm2 4.526 CV 1
ASSI { 313}
(( segid " " and resid 30 and name HD3 ))
(( segid " " and resid 30 and name HA ))
3.600 1.600 1.600 peak 313 spectrum 2 weight 0.10000E+01 volume 0.12353E-02 ppm1 1.431 ppm2 4.528 CV 1
OR { 313}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HA ))
ASSI { 314}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HA ))
2.700 0.900 0.900 peak 314 spectrum 2 weight 0.10000E+01 volume 0.34997E-02 ppm1 1.583 ppm2 4.526 CV 1
ASSI { 322}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 24 and name HB ))
2.300 0.700 0.700 peak 322 spectrum 2 weight 0.10000E+01 volume 0.85103E-02 ppm1 0.979 ppm2 4.226 CV 1
ASSI { 323}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 24 and name HA ))
2.800 0.900 0.900 peak 323 spectrum 2 weight 0.10000E+01 volume 0.43194E-02 ppm1 0.979 ppm2 4.574 CV 1
ASSI { 337}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HA ))
3.200 1.200 1.200 peak 337 spectrum 2 weight 0.10000E+01 volume 0.20717E-02 ppm1 2.459 ppm2 4.845 CV 1
ASSI { 338}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HA ))
2.500 0.800 0.800 peak 338 spectrum 2 weight 0.10000E+01 volume 0.49588E-02 ppm1 3.492 ppm2 4.845 CV 1
ASSI { 339}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HB3 ))
1.700 0.400 0.500 peak 339 spectrum 2 weight 0.10000E+01 volume 0.25350E-01 ppm1 2.460 ppm2 3.499 CV 1
ASSI { 342}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HN ))
2.400 0.700 0.700 peak 342 spectrum 2 weight 0.10000E+01 volume 0.56489E-02 ppm1 4.845 ppm2 8.104 CV 1
ASSI { 353}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HA ))
2.800 1.000 1.000 peak 353 spectrum 2 weight 0.10000E+01 volume 0.34898E-02 ppm1 2.003 ppm2 3.764 CV 1
ASSI { 356}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HB3 ))
2.500 0.800 0.800 peak 356 spectrum 2 weight 0.10000E+01 volume 0.69178E-02 ppm1 1.209 ppm2 2.091 CV 1
OR { 356}
(( segid " " and resid 34 and name HG3 ))
(( segid " " and resid 34 and name HB3 ))
ASSI { 357}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
3.000 1.200 1.200 peak 357 spectrum 2 weight 0.10000E+01 volume 0.22294E-02 ppm1 3.764 ppm2 7.667 CV 1
ASSI { 361}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 17 and name HD% )
2.700 0.900 0.900 peak 361 spectrum 2 weight 0.10000E+01 volume 0.51939E-02 ppm1 2.881 ppm2 7.082 CV 1
ASSI { 362}
(( segid " " and resid 17 and name HB3 ))
( segid " " and resid 17 and name HD% )
2.700 0.900 0.900 peak 362 spectrum 2 weight 0.10000E+01 volume 0.33476E-02 ppm1 3.069 ppm2 7.082 CV 1
ASSI { 363}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 17 and name HD% )
2.300 0.700 0.700 peak 363 spectrum 2 weight 0.10000E+01 volume 0.74360E-02 ppm1 4.832 ppm2 7.082 CV 1
ASSI { 381}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HA ))
2.800 1.000 1.000 peak 381 spectrum 2 weight 0.10000E+01 volume 0.37589E-02 ppm1 1.796 ppm2 3.429 CV 1
ASSI { 382}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
4.100 2.100 1.900 peak 382 spectrum 2 weight 0.10000E+01 volume 0.30505E-03 ppm1 3.429 ppm2 7.858 CV 1
ASSI { 383}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 22 and name HN ))
4.300 2.300 1.700 peak 383 spectrum 2 weight 0.10000E+01 volume 0.75360E-03 ppm1 1.381 ppm2 7.858 CV 1
ASSI { 384}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 22 and name HN ))
2.600 0.900 0.900 peak 384 spectrum 2 weight 0.10000E+01 volume 0.25984E-02 ppm1 1.796 ppm2 7.858 CV 1
ASSI { 386}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HN ))
2.900 1.000 1.000 peak 386 spectrum 2 weight 0.10000E+01 volume 0.14112E-02 ppm1 1.847 ppm2 7.730 CV 1
ASSI { 387}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HN ))
4.600 2.600 1.400 peak 387 spectrum 2 weight 0.10000E+01 volume 0.60474E-03 ppm1 1.742 ppm2 7.730 CV 1
ASSI { 388}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
4.300 2.300 1.700 peak 388 spectrum 2 weight 0.10000E+01 volume 0.34912E-03 ppm1 3.841 ppm2 7.730 CV 1
ASSI { 389}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
3.200 1.300 1.300 peak 389 spectrum 2 weight 0.10000E+01 volume 0.12010E-02 ppm1 7.730 ppm2 8.198 CV 1
ASSI { 393}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HN ))
2.900 1.000 1.000 peak 393 spectrum 2 weight 0.10000E+01 volume 0.18506E-02 ppm1 8.083 ppm2 8.198 CV 1
ASSI { 406}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HA ))
2.300 0.700 0.700 peak 406 spectrum 2 weight 0.10000E+01 volume 0.88038E-02 ppm1 1.498 ppm2 2.824 CV 1
ASSI { 407}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HN ))
2.200 0.600 0.600 peak 407 spectrum 2 weight 0.10000E+01 volume 0.95693E-02 ppm1 1.578 ppm2 2.825 CV 1
ASSI { 413}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 29 and name HA ))
2.900 1.000 1.000 peak 413 spectrum 2 weight 0.10000E+01 volume 0.21787E-02 ppm1 4.845 ppm2 5.242 CV 1
ASSI { 415}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 30 and name HN ))
4.500 2.600 1.500 peak 415 spectrum 2 weight 0.10000E+01 volume 0.24393E-03 ppm1 4.845 ppm2 8.236 CV 1
ASSI { 416}
(( segid " " and resid 27 and name HD2 ))
(( segid " " and resid 26 and name HA ))
2.400 0.700 0.700 peak 416 spectrum 2 weight 0.10000E+01 volume 0.88330E-02 ppm1 3.180 ppm2 4.914 CV 1
ASSI { 417}
(( segid " " and resid 27 and name HD3 ))
(( segid " " and resid 26 and name HA ))
2.300 0.700 0.700 peak 417 spectrum 2 weight 0.10000E+01 volume 0.53263E-02 ppm1 3.628 ppm2 4.914 CV 1
ASSI { 430}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 22 and name HN ))
3.600 1.600 1.600 peak 430 spectrum 2 weight 0.10000E+01 volume 0.97796E-03 ppm1 4.204 ppm2 7.858 CV 1
ASSI { 431}
( segid " " and resid 32 and name HD1%)
( segid " " and resid 32 and name HG2%)
2.800 1.000 1.000 peak 431 spectrum 2 weight 0.10000E+01 volume 0.17759E-01 ppm1 0.698 ppm2 1.235 CV 1
ASSI { 432}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 32 and name HA ))
2.700 0.900 0.900 peak 432 spectrum 2 weight 0.10000E+01 volume 0.40631E-02 ppm1 1.235 ppm2 4.116 CV 1
ASSI { 437}
(( segid " " and resid 32 and name HG12))
(( segid " " and resid 32 and name HB ))
2.500 0.800 0.800 peak 437 spectrum 2 weight 0.10000E+01 volume 0.60882E-02 ppm1 0.799 ppm2 1.544 CV 1
OR { 437}
(( segid " " and resid 32 and name HG13))
(( segid " " and resid 32 and name HB ))
ASSI { 446}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 35 and name HA ))
3.000 1.100 1.100 peak 446 spectrum 2 weight 0.10000E+01 volume 0.16703E-02 ppm1 4.645 ppm2 5.170 CV 1
ASSI { 447}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HN ))
3.500 1.500 1.500 peak 447 spectrum 2 weight 0.10000E+01 volume 0.82500E-03 ppm1 7.730 ppm2 7.867 CV 1
ASSI { 476}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 23 and name HN ))
3.800 1.800 1.800 peak 476 spectrum 2 weight 0.10000E+01 volume 0.53278E-03 ppm1 4.491 ppm2 7.730 CV 1
ASSI { 478}
(( segid " " and resid 19 and name HG3 ))
(( segid " " and resid 19 and name HA ))
2.700 0.900 0.900 peak 478 spectrum 2 weight 0.10000E+01 volume 0.47855E-02 ppm1 2.101 ppm2 4.204 CV 1
ASSI { 479}
(( segid " " and resid 19 and name HG3 ))
(( segid " " and resid 19 and name HD2 ))
2.400 0.800 0.800 peak 479 spectrum 2 weight 0.10000E+01 volume 0.51208E-02 ppm1 2.101 ppm2 3.503 CV 1
OR { 479}
(( segid " " and resid 19 and name HG3 ))
(( segid " " and resid 19 and name HD3 ))
ASSI { 480}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HG3 ))
2.700 0.900 0.900 peak 480 spectrum 2 weight 0.10000E+01 volume 0.87922E-02 ppm1 1.610 ppm2 2.101 CV 1
ASSI { 481}
(( segid " " and resid 19 and name HG2 ))
(( segid " " and resid 19 and name HB3 ))
2.600 0.800 0.800 peak 481 spectrum 2 weight 0.10000E+01 volume 0.69685E-02 ppm1 1.977 ppm2 2.127 CV 1
ASSI { 482}
(( segid " " and resid 19 and name HD3 ))
(( segid " " and resid 20 and name HN ))
2.900 1.000 1.000 peak 482 spectrum 2 weight 0.10000E+01 volume 0.25350E-02 ppm1 3.503 ppm2 8.115 CV 1
OR { 482}
(( segid " " and resid 19 and name HD2 ))
(( segid " " and resid 20 and name HN ))
ASSI { 487}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 19 and name HD2 ))
2.100 0.500 0.500 peak 487 spectrum 2 weight 0.10000E+01 volume 0.13784E-01 ppm1 1.328 ppm2 3.503 CV 1
OR { 487}
( segid " " and resid 18 and name HB% )
(( segid " " and resid 19 and name HD3 ))
ASSI { 519}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 21 and name HN ))
3.100 1.200 1.200 peak 519 spectrum 2 weight 0.10000E+01 volume 0.15759E-02 ppm1 4.379 ppm2 8.652 CV 1
ASSI { 533}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 23 and name HB2 ))
2.900 1.000 1.000 peak 533 spectrum 2 weight 0.10000E+01 volume 0.31603E-02 ppm1 0.979 ppm2 2.053 CV 1
OR { 533}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 23 and name HB3 ))
ASSI { 534}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 38 and name HB2 ))
3.100 1.200 1.200 peak 534 spectrum 2 weight 0.10000E+01 volume 0.22547E-02 ppm1 0.978 ppm2 2.464 CV 1
ASSI { 538}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 40 and name HA1 ))
3.000 1.200 1.200 peak 538 spectrum 2 weight 0.10000E+01 volume 0.19182E-02 ppm1 0.980 ppm2 3.687 CV 1
ASSI { 539}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 38 and name HB3 ))
2.700 2.700 3.300 peak 539 spectrum 2 weight 0.10000E+01 volume 0.36293E-02 ppm1 0.980 ppm2 3.503 CV 1
ASSI { 542}
(( segid " " and resid 37 and name HE3 ))
( segid " " and resid 39 and name HD% )
3.500 3.500 2.500 peak 542 spectrum 2 weight 0.10000E+01 volume 0.87483E-03 ppm1 2.620 ppm2 6.819 CV 1
ASSI { 547}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 17 and name HE% )
3.700 1.700 1.700 peak 547 spectrum 2 weight 0.10000E+01 volume 0.71276E-03 ppm1 1.592 ppm2 6.683 CV 1
ASSI { 548}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 17 and name HE% )
4.000 2.000 2.000 peak 548 spectrum 2 weight 0.10000E+01 volume 0.80937E-03 ppm1 1.493 ppm2 6.683 CV 1
ASSI { 549}
( segid " " and resid 29 and name HB% )
( segid " " and resid 17 and name HE% )
3.200 1.300 1.300 peak 549 spectrum 2 weight 0.10000E+01 volume 0.19407E-02 ppm1 1.315 ppm2 6.683 CV 1
ASSI { 550}
(( segid " " and resid 14 and name HG2 ))
( segid " " and resid 17 and name HE% )
4.100 2.100 1.900 peak 550 spectrum 2 weight 0.10000E+01 volume 0.99736E-03 ppm1 1.158 ppm2 6.683 CV 1
OR { 550}
(( segid " " and resid 14 and name HG3 ))
( segid " " and resid 17 and name HE% )
ASSI { 551}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 17 and name HN ))
4.500 2.500 1.500 peak 551 spectrum 2 weight 0.10000E+01 volume 0.42236E-03 ppm1 1.315 ppm2 6.732 CV 1
ASSI { 554}
(( segid " " and resid 30 and name HD3 ))
( segid " " and resid 39 and name HE% )
3.500 1.600 1.600 peak 554 spectrum 2 weight 0.10000E+01 volume 0.12327E-02 ppm1 1.418 ppm2 6.509 CV 1
OR { 554}
(( segid " " and resid 30 and name HD2 ))
( segid " " and resid 39 and name HE% )
ASSI { 555}
(( segid " " and resid 30 and name HB3 ))
( segid " " and resid 39 and name HE% )
3.300 1.400 1.400 peak 555 spectrum 2 weight 0.10000E+01 volume 0.22646E-02 ppm1 1.696 ppm2 6.509 CV 1
ASSI { 556}
(( segid " " and resid 30 and name HB2 ))
( segid " " and resid 39 and name HE% )
3.000 1.200 1.200 peak 556 spectrum 2 weight 0.10000E+01 volume 0.17210E-02 ppm1 1.603 ppm2 6.509 CV 1
ASSI { 580}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 17 and name HE% )
5.000 3.100 1.000 peak 580 spectrum 2 weight 0.10000E+01 volume 0.48658E-03 ppm1 4.832 ppm2 6.683 CV 1
ASSI { 581}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 17 and name HE% )
2.900 1.000 1.000 peak 581 spectrum 2 weight 0.10000E+01 volume 0.31983E-02 ppm1 2.829 ppm2 6.684 CV 1
ASSI { 582}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 17 and name HE% )
2.900 1.100 1.100 peak 582 spectrum 2 weight 0.10000E+01 volume 0.24956E-02 ppm1 3.750 ppm2 6.684 CV 1
OR { 582}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 17 and name HE% )
ASSI { 583}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 17 and name HE% )
5.200 3.300 0.800 peak 583 spectrum 2 weight 0.10000E+01 volume 0.24322E-03 ppm1 4.176 ppm2 6.684 CV 1
ASSI { 584}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 17 and name HA ))
3.000 1.100 1.100 peak 584 spectrum 2 weight 0.10000E+01 volume 0.15886E-02 ppm1 4.379 ppm2 4.832 CV 1
ASSI { 585}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HN ))
2.600 0.800 0.800 peak 585 spectrum 2 weight 0.10000E+01 volume 0.69403E-02 ppm1 2.507 ppm2 4.466 CV 1
ASSI { 586}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 39 and name HE% )
3.700 1.700 1.700 peak 586 spectrum 2 weight 0.10000E+01 volume 0.59009E-03 ppm1 5.242 ppm2 6.509 CV 1
ASSI { 587}
(( segid " " and resid 37 and name HE3 ))
( segid " " and resid 39 and name HE% )
4.200 2.200 1.800 peak 587 spectrum 2 weight 0.10000E+01 volume 0.30927E-03 ppm1 2.618 ppm2 6.509 CV 1
ASSI { 589}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 17 and name HD% )
2.800 1.000 1.000 peak 589 spectrum 2 weight 0.10000E+01 volume 0.26111E-02 ppm1 2.829 ppm2 7.080 CV 1
ASSI { 590}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HN ))
3.500 1.500 1.500 peak 590 spectrum 2 weight 0.10000E+01 volume 0.77687E-03 ppm1 2.829 ppm2 6.720 CV 1
ASSI { 591}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 20 and name HN ))
4.200 2.200 1.800 peak 591 spectrum 2 weight 0.10000E+01 volume 0.40419E-03 ppm1 4.387 ppm2 8.117 CV 1
ASSI { 593}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 38 and name HA ))
2.800 1.000 1.000 peak 593 spectrum 2 weight 0.10000E+01 volume 0.43433E-02 ppm1 1.315 ppm2 4.845 CV 1
ASSI { 594}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 20 and name HA ))
2.800 0.900 0.900 peak 594 spectrum 2 weight 0.10000E+01 volume 0.39870E-02 ppm1 2.044 ppm2 4.491 CV 1
OR { 594}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 20 and name HA ))
ASSI { 595}
(( segid " " and resid 19 and name HD3 ))
(( segid " " and resid 16 and name HA ))
2.800 1.000 1.000 peak 595 spectrum 2 weight 0.10000E+01 volume 0.34124E-02 ppm1 3.503 ppm2 4.396 CV 1
OR { 595}
(( segid " " and resid 19 and name HD2 ))
(( segid " " and resid 16 and name HA ))
ASSI { 596}
(( segid " " and resid 19 and name HG3 ))
(( segid " " and resid 16 and name HA ))
3.900 1.900 1.900 peak 596 spectrum 2 weight 0.10000E+01 volume 0.31363E-02 ppm1 2.092 ppm2 4.396 CV 1
ASSI { 597}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 19 and name HA ))
2.700 0.900 0.900 peak 597 spectrum 2 weight 0.10000E+01 volume 0.27885E-02 ppm1 1.847 ppm2 4.204 CV 1
ASSI { 598}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 19 and name HA ))
3.200 1.300 1.300 peak 598 spectrum 2 weight 0.10000E+01 volume 0.24181E-02 ppm1 1.742 ppm2 4.204 CV 1
ASSI { 599}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 41 and name HA ))
3.800 1.800 1.800 peak 599 spectrum 2 weight 0.10000E+01 volume 0.15111E-02 ppm1 3.575 ppm2 4.360 CV 1
ASSI { 600}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 41 and name HA ))
3.200 1.300 1.300 peak 600 spectrum 2 weight 0.10000E+01 volume 0.24660E-02 ppm1 1.937 ppm2 4.360 CV 1
ASSI { 601}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 16 and name HB3 ))
2.400 0.700 0.700 peak 601 spectrum 2 weight 0.10000E+01 volume 0.67319E-02 ppm1 1.315 ppm2 2.864 CV 1
ASSI { 603}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 16 and name HB3 ))
2.700 2.700 3.300 peak 603 spectrum 2 weight 0.10000E+01 volume 0.35096E-02 ppm1 2.361 ppm2 2.866 CV 1
ASSI { 604}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 38 and name HB3 ))
3.100 3.100 2.900 peak 604 spectrum 2 weight 0.10000E+01 volume 0.22393E-02 ppm1 2.888 ppm2 3.501 CV 1
ASSI { 605}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 13 and name HA ))
3.100 1.200 1.200 peak 605 spectrum 2 weight 0.10000E+01 volume 0.19435E-02 ppm1 2.637 ppm2 3.553 CV 1
ASSI { 606}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 13 and name HA ))
2.600 2.600 3.400 peak 606 spectrum 2 weight 0.10000E+01 volume 0.49109E-02 ppm1 2.158 ppm2 3.553 CV 1
ASSI { 607}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 30 and name HA ))
2.600 2.600 3.400 peak 607 spectrum 2 weight 0.10000E+01 volume 0.51996E-02 ppm1 3.553 ppm2 4.531 CV 1
ASSI { 608}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 30 and name HA ))
2.800 1.000 1.000 peak 608 spectrum 2 weight 0.10000E+01 volume 0.28603E-02 ppm1 3.736 ppm2 4.531 CV 1
OR { 608}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 30 and name HA ))
ASSI { 609}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 20 and name HB3 ))
3.400 1.400 1.400 peak 609 spectrum 2 weight 0.10000E+01 volume 0.10859E-02 ppm1 1.313 ppm2 3.355 CV 1
ASSI { 610}
( segid " " and resid 29 and name HB% )
(( segid " " and resid 20 and name HB2 ))
2.900 1.000 1.000 peak 610 spectrum 2 weight 0.10000E+01 volume 0.22406E-02 ppm1 1.316 ppm2 2.887 CV 1
ASSI { 611}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 19 and name HA ))
2.900 2.900 3.100 peak 611 spectrum 2 weight 0.10000E+01 volume 0.33138E-02 ppm1 3.219 ppm2 4.203 CV 1
ASSI { 612}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 26 and name HA ))
4.300 2.300 1.700 peak 612 spectrum 2 weight 0.10000E+01 volume 0.92258E-03 ppm1 1.026 ppm2 4.914 CV 1
ASSI { 613}
(( segid " " and resid 40 and name HA1 ))
(( segid " " and resid 24 and name HB ))
2.600 2.600 3.400 peak 613 spectrum 2 weight 0.10000E+01 volume 0.53052E-02 ppm1 3.687 ppm2 4.227 CV 1
ASSI { 616}
( segid " " and resid 9 and name HB% )
(( segid " " and resid 8 and name HA ))
3.200 1.300 1.300 peak 616 spectrum 2 weight 0.10000E+01 volume 0.51982E-02 ppm1 1.251 ppm2 4.248 CV 1
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