NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
15737 |
1ywi   |
6558 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!WW domain residues 4 - 44
!Ligand residues 101-110 (APPTPPPLPP)
! Unambiguous Distance Restrints
ASSI { 1}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 39 and name HE1 ))
1.100 1.100 4.900 peak 1 spectrum 1 weight 0.10000E+01 volume 0.31333E+00 ppm1 7.360 ppm2 10.023 CV 1
ASSI { 4}
(( segid " " and resid 36 and name HG1 ))
(( segid " " and resid 36 and name HE22))
1.900 1.900 4.100 peak 4 spectrum 1 weight 0.10000E+01 volume 0.48044E-01 ppm1 2.361 ppm2 7.021 CV 1
OR { 4}
(( segid " " and resid 36 and name HG1 ))
(( segid " " and resid 36 and name HN ))
ASSI { 7}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 13 and name HN ))
4.300 2.300 1.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.15597E-03 ppm1 3.889 ppm2 8.419 CV 1
ASSI { 16}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 27 and name HN ))
2.800 2.800 3.200 peak 16 spectrum 1 weight 0.10000E+01 volume 0.39828E-02 ppm1 1.592 ppm2 8.874 CV 1
ASSI { 26}
(( segid " " and resid 107 and name HA ))
(( segid " " and resid 108 and name HN ))
2.200 0.600 0.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.30776E-02 ppm1 4.389 ppm2 8.181 CV 1
ASSI { 27}
( segid " " and resid 30 and name HE% )
( segid " " and resid 30 and name HD% )
2.200 0.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.30498E-02 ppm1 6.597 ppm2 6.994 CV 1
ASSI { 29}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
2.200 2.200 3.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.36347E-02 ppm1 4.969 ppm2 8.875 CV 1
ASSI { 30}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HN ))
2.100 0.500 0.500 peak 30 spectrum 1 weight 0.10000E+01 volume 0.29940E-02 ppm1 4.856 ppm2 8.692 CV 1
ASSI { 31}
( segid " " and resid 28 and name HE% )
( segid " " and resid 28 and name HD% )
2.000 0.500 0.500 peak 31 spectrum 1 weight 0.10000E+01 volume 0.31194E-02 ppm1 6.273 ppm2 6.824 CV 1
ASSI { 32}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 26 and name HN ))
2.700 2.700 3.300 peak 32 spectrum 1 weight 0.10000E+01 volume 0.26181E-02 ppm1 2.740 ppm2 7.830 CV 1
ASSI { 33}
(( segid " " and resid 30 and name HB1 ))
( segid " " and resid 30 and name HD% )
2.300 2.300 3.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.20471E-02 ppm1 2.699 ppm2 6.992 CV 1
ASSI { 41}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 27 and name HN ))
2.900 1.000 1.000 peak 41 spectrum 1 weight 0.10000E+01 volume 0.29802E-02 ppm1 4.531 ppm2 8.873 CV 1
ASSI { 45}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
1.800 0.400 0.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.29384E-02 ppm1 5.242 ppm2 9.637 CV 1
ASSI { 53}
(( segid " " and resid 39 and name HZ3 ))
(( segid " " and resid 39 and name HH2 ))
2.000 0.500 0.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.32308E-02 ppm1 6.922 ppm2 7.089 CV 1
ASSI { 58}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HN ))
2.800 1.000 1.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.15179E-02 ppm1 4.468 ppm2 8.412 CV 1
ASSI { 61}
(( segid " " and resid 29 and name HB1 ))
( segid " " and resid 29 and name HE% )
2.400 2.400 3.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.11391E-01 ppm1 2.895 ppm2 6.713 CV 1
ASSI { 64}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 31 and name HN ))
2.000 0.500 0.500 peak 64 spectrum 1 weight 0.10000E+01 volume 0.21585E-02 ppm1 5.728 ppm2 8.191 CV 1
ASSI { 65}
(( segid " " and resid 39 and name HZ3 ))
(( segid " " and resid 39 and name HE3 ))
2.100 0.500 0.500 peak 65 spectrum 1 weight 0.10000E+01 volume 0.27434E-02 ppm1 6.921 ppm2 8.123 CV 1
ASSI { 66}
(( segid " " and resid 20 and name HB1 ))
( segid " " and resid 28 and name HD% )
1.800 1.800 4.200 peak 66 spectrum 1 weight 0.10000E+01 volume 0.36347E-01 ppm1 2.633 ppm2 6.826 CV 1
ASSI { 67}
(( segid " " and resid 108 and name HG ))
(( segid " " and resid 108 and name HN ))
2.900 1.100 1.100 peak 67 spectrum 1 weight 0.10000E+01 volume 0.86061E-03 ppm1 1.531 ppm2 8.181 CV 1
OR { 67}
(( segid " " and resid 108 and name HB2 ))
(( segid " " and resid 108 and name HN ))
ASSI { 68}
(( segid " " and resid 30 and name HB1 ))
(( segid " " and resid 37 and name HA ))
3.600 1.600 1.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.20471E-02 ppm1 2.694 ppm2 6.106 CV 1
ASSI { 69}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 17 and name HE3 ))
3.300 1.400 1.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.19357E-02 ppm1 1.185 ppm2 7.382 CV 1
ASSI { 70}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HE1 ))
2.700 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.16711E-02 ppm1 7.347 ppm2 10.404 CV 1
ASSI { 73}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 29 and name HE% )
3.500 3.500 2.500 peak 73 spectrum 1 weight 0.10000E+01 volume 0.18243E-02 ppm1 2.698 ppm2 6.696 CV 1
ASSI { 75}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 25 and name HN ))
3.700 1.700 1.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.11809E-02 ppm1 4.447 ppm2 8.330 CV 1
ASSI { 79}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 38 and name HN ))
2.200 0.600 0.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.18521E-02 ppm1 6.124 ppm2 9.440 CV 1
ASSI { 81}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HE3 ))
2.600 0.800 0.800 peak 81 spectrum 1 weight 0.10000E+01 volume 0.14761E-02 ppm1 3.179 ppm2 7.362 CV 1
OR { 81}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 84}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 29 and name HD% )
2.700 0.900 0.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.11461E-02 ppm1 2.716 ppm2 6.848 CV 1
ASSI { 87}
( segid " " and resid 27 and name HG2%)
(( segid " " and resid 27 and name HN ))
3.500 1.500 1.500 peak 87 spectrum 1 weight 0.10000E+01 volume 0.20053E-02 ppm1 0.925 ppm2 8.875 CV 1
ASSI { 88}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
2.900 1.100 1.100 peak 88 spectrum 1 weight 0.10000E+01 volume 0.10152E-02 ppm1 4.544 ppm2 8.255 CV 1
ASSI { 91}
(( segid " " and resid 38 and name HB ))
(( segid " " and resid 39 and name HN ))
3.100 1.200 1.200 peak 91 spectrum 1 weight 0.10000E+01 volume 0.17407E-02 ppm1 4.268 ppm2 8.695 CV 1
ASSI { 94}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HN ))
3.100 1.200 1.200 peak 94 spectrum 1 weight 0.10000E+01 volume 0.66564E-03 ppm1 1.322 ppm2 8.263 CV 1
ASSI { 96}
(( segid " " and resid 20 and name HB2 ))
( segid " " and resid 28 and name HE% )
2.900 1.000 1.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 1.165 ppm2 6.273 CV 1
ASSI { 99}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 26 and name HN ))
2.900 1.100 1.100 peak 99 spectrum 1 weight 0.10000E+01 volume 0.10319E-02 ppm1 1.995 ppm2 7.823 CV 1
ASSI { 100}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 26 and name HN ))
3.800 1.800 1.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.13313E-02 ppm1 4.533 ppm2 7.827 CV 1
ASSI { 106}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HN ))
4.400 2.500 1.600 peak 106 spectrum 1 weight 0.10000E+01 volume 0.20610E-03 ppm1 3.916 ppm2 8.244 CV 1
ASSI { 118}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 17 and name HH2 ))
3.000 1.100 1.100 peak 118 spectrum 1 weight 0.10000E+01 volume 0.11447E-02 ppm1 1.185 ppm2 7.013 CV 1
ASSI { 120}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 29 and name HE% )
2.400 2.400 3.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.19775E-02 ppm1 1.838 ppm2 6.708 CV 1
ASSI { 121}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 28 and name HE% )
2.300 2.300 3.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.15875E-02 ppm1 4.966 ppm2 6.273 CV 1
ASSI { 123}
(( segid " " and resid 29 and name HB1 ))
(( segid " " and resid 17 and name HE3 ))
2.400 0.700 0.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.11851E-02 ppm1 2.900 ppm2 7.382 CV 1
ASSI { 124}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 39 and name HZ3 ))
2.400 0.700 0.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.54727E-03 ppm1 1.989 ppm2 6.921 CV 1
ASSI { 125}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 17 and name HE3 ))
3.000 1.100 1.100 peak 125 spectrum 1 weight 0.10000E+01 volume 0.12868E-02 ppm1 2.713 ppm2 7.381 CV 1
ASSI { 127}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 27 and name HN ))
2.500 0.800 0.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.11113E-02 ppm1 1.985 ppm2 8.873 CV 1
ASSI { 128}
(( segid " " and resid 40 and name HA ))
( segid " " and resid 29 and name HE% )
3.200 1.300 1.300 peak 128 spectrum 1 weight 0.10000E+01 volume 0.71718E-03 ppm1 4.464 ppm2 6.696 CV 1
ASSI { 130}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 39 and name HN ))
3.800 1.800 1.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.91492E-03 ppm1 8.209 ppm2 8.673 CV 1
ASSI { 132}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 38 and name HN ))
2.700 0.900 0.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.10458E-02 ppm1 1.185 ppm2 9.441 CV 1
ASSI { 133}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HN ))
3.700 1.700 1.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.73248E-03 ppm1 1.746 ppm2 7.023 CV 1
OR { 133}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HE22))
ASSI { 134}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
2.700 0.900 0.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.12784E-02 ppm1 4.179 ppm2 8.491 CV 1
ASSI { 136}
(( segid " " and resid 19 and name HG1 ))
( segid " " and resid 29 and name HE% )
3.000 3.000 3.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.10834E-02 ppm1 2.051 ppm2 6.713 CV 1
ASSI { 137}
(( segid " " and resid 36 and name HG1 ))
(( segid " " and resid 36 and name HE21))
2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.71020E-03 ppm1 2.319 ppm2 7.592 CV 1
ASSI { 139}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HN ))
2.400 0.700 0.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.15736E-02 ppm1 4.853 ppm2 9.437 CV 1
ASSI { 143}
( segid " " and resid 10 and name HG1%)
(( segid " " and resid 34 and name HN ))
3.400 3.400 2.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.91492E-03 ppm1 0.987 ppm2 7.765 CV 1
ASSI { 146}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
3.100 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.58213E-03 ppm1 4.472 ppm2 8.579 CV 1
ASSI { 148}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.300 0.700 0.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.11725E-02 ppm1 4.193 ppm2 9.638 CV 1
ASSI { 149}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 25 and name HN ))
3.300 1.400 1.400 peak 149 spectrum 1 weight 0.10000E+01 volume 0.56818E-03 ppm1 4.613 ppm2 8.332 CV 1
ASSI { 151}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HD% )
2.700 0.900 0.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.14761E-02 ppm1 5.397 ppm2 6.850 CV 1
ASSI { 152}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HE3 ))
3.100 1.200 1.200 peak 152 spectrum 1 weight 0.10000E+01 volume 0.96787E-03 ppm1 5.226 ppm2 7.382 CV 1
OR { 152}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 163}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HN ))
3.400 1.500 1.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.13884E-02 ppm1 3.689 ppm2 8.673 CV 1
ASSI { 164}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 6 and name HE ))
3.100 1.200 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.13578E-02 ppm1 1.994 ppm2 7.208 CV 1
ASSI { 165}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
3.000 1.100 1.100 peak 165 spectrum 1 weight 0.10000E+01 volume 0.83136E-03 ppm1 4.673 ppm2 7.913 CV 1
ASSI { 166}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
2.900 1.000 1.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.47487E-03 ppm1 4.557 ppm2 8.697 CV 1
ASSI { 170}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HN ))
3.000 1.100 1.100 peak 170 spectrum 1 weight 0.10000E+01 volume 0.49158E-03 ppm1 7.914 ppm2 8.333 CV 1
ASSI { 173}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 24 and name HN ))
3.500 1.500 1.500 peak 173 spectrum 1 weight 0.10000E+01 volume 0.81883E-03 ppm1 2.960 ppm2 7.916 CV 1
ASSI { 174}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HN ))
2.500 0.800 0.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.89820E-03 ppm1 7.764 ppm2 7.939 CV 1
ASSI { 180}
(( segid " " and resid 29 and name HB1 ))
(( segid " " and resid 30 and name HN ))
2.600 0.800 0.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.93584E-03 ppm1 2.901 ppm2 9.466 CV 1
ASSI { 181}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 28 and name HD% )
2.200 2.200 3.800 peak 181 spectrum 1 weight 0.10000E+01 volume 0.13550E-02 ppm1 4.193 ppm2 6.823 CV 1
ASSI { 182}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 39 and name HH2 ))
2.100 0.600 0.600 peak 182 spectrum 1 weight 0.10000E+01 volume 0.11781E-02 ppm1 4.193 ppm2 7.088 CV 1
ASSI { 183}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.700 0.900 0.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.89684E-03 ppm1 1.164 ppm2 8.579 CV 1
ASSI { 190}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HN ))
2.900 1.000 1.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.41639E-03 ppm1 2.715 ppm2 9.014 CV 1
ASSI { 193}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
3.500 1.500 1.500 peak 193 spectrum 1 weight 0.10000E+01 volume 0.42613E-03 ppm1 4.674 ppm2 8.333 CV 1
ASSI { 194}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 32 and name HN ))
6.000 6.000 0.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.89406E-06 ppm1 7.333 ppm2 8.342 CV 1
ASSI { 196}
(( segid " " and resid 38 and name HB ))
(( segid " " and resid 38 and name HN ))
2.900 1.100 1.100 peak 196 spectrum 1 weight 0.10000E+01 volume 0.95251E-03 ppm1 4.273 ppm2 9.436 CV 1
ASSI { 205}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 6 and name HE ))
2.600 0.800 0.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.43727E-03 ppm1 1.583 ppm2 7.208 CV 1
ASSI { 206}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 37 and name HA ))
2.800 1.000 1.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.46373E-03 ppm1 3.682 ppm2 6.123 CV 1
OR { 206}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HA ))
ASSI { 207}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 20 and name HN ))
3.700 1.700 1.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.73809E-03 ppm1 2.655 ppm2 8.579 CV 1
ASSI { 208}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 39 and name HZ3 ))
2.200 0.600 0.600 peak 208 spectrum 1 weight 0.10000E+01 volume 0.11391E-02 ppm1 4.193 ppm2 6.922 CV 1
ASSI { 212}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HN ))
2.800 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.72556E-03 ppm1 5.132 ppm2 8.672 CV 1
ASSI { 216}
(( segid " " and resid 107 and name HB1 ))
(( segid " " and resid 108 and name HN ))
4.500 2.600 1.500 peak 216 spectrum 1 weight 0.10000E+01 volume 0.30219E-03 ppm1 2.230 ppm2 8.180 CV 1
ASSI { 217}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 34 and name HN ))
3.800 1.800 1.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.62947E-03 ppm1 2.073 ppm2 7.763 CV 1
ASSI { 218}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HN ))
3.000 1.100 1.100 peak 218 spectrum 1 weight 0.10000E+01 volume 0.54868E-03 ppm1 0.053 ppm2 8.189 CV 1
ASSI { 219}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HN ))
2.900 1.000 1.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.65175E-03 ppm1 2.964 ppm2 8.242 CV 1
ASSI { 222}
( segid " " and resid 27 and name HG2%)
(( segid " " and resid 20 and name HN ))
3.200 1.300 1.300 peak 222 spectrum 1 weight 0.10000E+01 volume 0.82580E-03 ppm1 0.925 ppm2 8.579 CV 1
ASSI { 224}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 224 spectrum 1 weight 0.10000E+01 volume 0.63361E-03 ppm1 5.236 ppm2 8.323 CV 1
ASSI { 225}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 39 and name HH2 ))
3.800 1.800 1.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.41499E-03 ppm1 2.007 ppm2 7.087 CV 1
ASSI { 226}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 27 and name HN ))
3.700 1.800 1.800 peak 226 spectrum 1 weight 0.10000E+01 volume 0.76452E-03 ppm1 5.243 ppm2 8.875 CV 1
ASSI { 227}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 26 and name HN ))
4.300 2.400 1.700 peak 227 spectrum 1 weight 0.10000E+01 volume 0.36347E-03 ppm1 1.585 ppm2 7.823 CV 1
ASSI { 228}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 22 and name HN ))
2.300 2.300 3.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.77427E-03 ppm1 6.823 ppm2 9.638 CV 1
ASSI { 233}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HE% )
3.800 1.800 1.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.88011E-03 ppm1 5.395 ppm2 6.698 CV 1
ASSI { 234}
(( segid " " and resid 29 and name HB1 ))
(( segid " " and resid 29 and name HN ))
3.600 1.600 1.600 peak 234 spectrum 1 weight 0.10000E+01 volume 0.74501E-03 ppm1 2.900 ppm2 9.013 CV 1
ASSI { 235}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 30 and name HN ))
4.200 2.200 1.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.13313E-02 ppm1 3.076 ppm2 9.431 CV 1
ASSI { 240}
(( segid " " and resid 39 and name HD1 ))
(( segid " " and resid 39 and name HN ))
3.000 1.100 1.100 peak 240 spectrum 1 weight 0.10000E+01 volume 0.95671E-03 ppm1 7.399 ppm2 8.673 CV 1
ASSI { 241}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 39 and name HH2 ))
2.900 1.100 1.100 peak 241 spectrum 1 weight 0.10000E+01 volume 0.70045E-03 ppm1 4.617 ppm2 7.088 CV 1
ASSI { 244}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.900 1.100 1.100 peak 244 spectrum 1 weight 0.10000E+01 volume 0.65589E-03 ppm1 5.399 ppm2 9.015 CV 1
ASSI { 245}
(( segid " " and resid 22 and name HB1 ))
( segid " " and resid 28 and name HD% )
6.000 6.000 0.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.10040E-04 ppm1 4.616 ppm2 6.824 CV 1
ASSI { 246}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 17 and name HE3 ))
4.700 2.800 1.300 peak 246 spectrum 1 weight 0.10000E+01 volume 0.27852E-03 ppm1 2.298 ppm2 7.395 CV 1
ASSI { 247}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 20 and name HN ))
3.400 1.400 1.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.39132E-03 ppm1 5.398 ppm2 8.581 CV 1
ASSI { 248}
(( segid " " and resid 35 and name HG1 ))
( segid " " and resid 30 and name HE% )
4.100 2.100 1.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.68237E-03 ppm1 1.218 ppm2 6.597 CV 1
ASSI { 251}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 9 and name HN ))
4.000 2.000 2.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.35651E-03 ppm1 3.880 ppm2 8.332 CV 1
ASSI { 254}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
3.500 1.500 1.500 peak 254 spectrum 1 weight 0.10000E+01 volume 0.29662E-03 ppm1 4.110 ppm2 7.765 CV 1
ASSI { 255}
( segid " " and resid 10 and name HG1%)
(( segid " " and resid 35 and name HN ))
3.600 3.600 2.400 peak 255 spectrum 1 weight 0.10000E+01 volume 0.80771E-03 ppm1 0.987 ppm2 7.941 CV 1
ASSI { 257}
(( segid " " and resid 110 and name HD2 ))
(( segid " " and resid 37 and name HN ))
2.900 2.900 3.100 peak 257 spectrum 1 weight 0.10000E+01 volume 0.30219E-03 ppm1 3.612 ppm2 8.506 CV 1
ASSI { 259}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 28 and name HD% )
3.500 1.500 1.500 peak 259 spectrum 1 weight 0.10000E+01 volume 0.49716E-03 ppm1 5.242 ppm2 6.825 CV 1
ASSI { 260}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 39 and name HE1 ))
3.100 1.200 1.200 peak 260 spectrum 1 weight 0.10000E+01 volume 0.66842E-03 ppm1 1.789 ppm2 10.022 CV 1
ASSI { 261}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HN ))
2.600 0.900 0.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.65872E-03 ppm1 6.126 ppm2 8.506 CV 1
ASSI { 264}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 25 and name HN ))
5.600 3.900 0.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.46652E-04 ppm1 4.970 ppm2 8.338 CV 1
ASSI { 265}
(( segid " " and resid 19 and name HG1 ))
( segid " " and resid 29 and name HD% )
4.500 2.500 1.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.18521E-03 ppm1 2.051 ppm2 6.849 CV 1
ASSI { 267}
(( segid " " and resid 36 and name HB1 ))
(( segid " " and resid 36 and name HE21))
4.700 2.800 1.300 peak 267 spectrum 1 weight 0.10000E+01 volume 0.45120E-03 ppm1 2.042 ppm2 7.625 CV 1
ASSI { 269}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
3.800 1.800 1.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.21864E-03 ppm1 4.179 ppm2 8.201 CV 1
ASSI { 271}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 22 and name HN ))
2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.45538E-03 ppm1 4.619 ppm2 9.638 CV 1
ASSI { 278}
(( segid " " and resid 30 and name HB1 ))
( segid " " and resid 30 and name HE% )
4.000 2.000 2.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.77012E-03 ppm1 2.698 ppm2 6.592 CV 1
ASSI { 279}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
3.200 1.300 1.300 peak 279 spectrum 1 weight 0.10000E+01 volume 0.74223E-03 ppm1 4.113 ppm2 7.941 CV 1
ASSI { 280}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 29 and name HN ))
3.100 1.200 1.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.73248E-03 ppm1 1.184 ppm2 9.015 CV 1
ASSI { 281}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 22 and name HN ))
3.100 1.200 1.200 peak 281 spectrum 1 weight 0.10000E+01 volume 0.33979E-03 ppm1 7.821 ppm2 9.637 CV 1
ASSI { 284}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 22 and name HN ))
3.600 1.600 1.600 peak 284 spectrum 1 weight 0.10000E+01 volume 0.63083E-03 ppm1 1.403 ppm2 9.635 CV 1
ASSI { 287}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 41 and name HN ))
4.500 2.500 1.500 peak 287 spectrum 1 weight 0.10000E+01 volume 0.77705E-03 ppm1 5.131 ppm2 8.212 CV 1
ASSI { 289}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HN ))
2.900 1.100 1.100 peak 289 spectrum 1 weight 0.10000E+01 volume 0.43867E-03 ppm1 8.154 ppm2 8.329 CV 1
ASSI { 291}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 29 and name HN ))
3.100 1.200 1.200 peak 291 spectrum 1 weight 0.10000E+01 volume 0.71303E-03 ppm1 5.132 ppm2 9.015 CV 1
ASSI { 293}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 34 and name HN ))
3.100 1.200 1.200 peak 293 spectrum 1 weight 0.10000E+01 volume 0.45259E-03 ppm1 2.294 ppm2 7.763 CV 1
ASSI { 294}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 31 and name HN ))
3.500 1.500 1.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.38575E-03 ppm1 6.125 ppm2 8.192 CV 1
ASSI { 297}
(( segid " " and resid 23 and name HD1 ))
(( segid " " and resid 39 and name HZ2 ))
5.200 3.400 0.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.10751E-03 ppm1 3.635 ppm2 7.360 CV 1
ASSI { 301}
( segid " " and resid 28 and name HE% )
( segid " " and resid 30 and name HD% )
4.200 2.200 1.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.24092E-03 ppm1 6.271 ppm2 6.991 CV 1
ASSI { 302}
(( segid " " and resid 23 and name HD1 ))
(( segid " " and resid 26 and name HN ))
5.200 3.400 0.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.23396E-03 ppm1 3.656 ppm2 7.822 CV 1
ASSI { 303}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 17 and name HE3 ))
4.700 2.800 1.300 peak 303 spectrum 1 weight 0.10000E+01 volume 0.21446E-03 ppm1 6.102 ppm2 7.359 CV 1
ASSI { 314}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 25 and name HN ))
4.400 2.500 1.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.12352E-03 ppm1 2.950 ppm2 8.331 CV 1
ASSI { 318}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 20 and name HN ))
3.900 1.900 1.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.36207E-03 ppm1 4.967 ppm2 8.580 CV 1
ASSI { 319}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 38 and name HN ))
3.800 1.800 1.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.18243E-03 ppm1 3.683 ppm2 9.442 CV 1
OR { 319}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 38 and name HN ))
ASSI { 320}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HN ))
4.000 2.000 2.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.13452E-03 ppm1 4.369 ppm2 8.529 CV 1
ASSI { 321}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 17 and name HE3 ))
5.100 3.200 0.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.18243E-03 ppm1 5.395 ppm2 7.383 CV 1
ASSI { 322}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 39 and name HN ))
3.900 1.900 1.900 peak 322 spectrum 1 weight 0.10000E+01 volume 0.35511E-03 ppm1 1.186 ppm2 8.675 CV 1
ASSI { 325}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 35 and name HN ))
2.900 1.000 1.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.87592E-03 ppm1 2.303 ppm2 7.940 CV 1
ASSI { 328}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 32 and name HN ))
4.500 2.500 1.500 peak 328 spectrum 1 weight 0.10000E+01 volume 0.25763E-03 ppm1 2.301 ppm2 8.327 CV 1
ASSI { 332}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 25 and name HN ))
5.500 3.800 0.500 peak 332 spectrum 1 weight 0.10000E+01 volume 0.17547E-03 ppm1 1.600 ppm2 8.335 CV 1
ASSI { 333}
( segid " " and resid 10 and name HG1%)
(( segid " " and resid 36 and name HE21))
3.700 1.700 1.700 peak 333 spectrum 1 weight 0.10000E+01 volume 0.58491E-03 ppm1 0.992 ppm2 7.627 CV 1
ASSI { 338}
( segid " " and resid 108 and name HD2%)
(( segid " " and resid 39 and name HH2 ))
4.300 2.300 1.700 peak 338 spectrum 1 weight 0.11000E+01 volume 0.30637E-03 ppm1 0.851 ppm2 7.089 CV 1
ASSI { 339}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 26 and name HN ))
4.900 3.000 1.100 peak 339 spectrum 1 weight 0.10000E+01 volume 0.14761E-03 ppm1 4.342 ppm2 7.822 CV 1
ASSI { 344}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HD1 ))
4.300 2.300 1.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.35511E-03 ppm1 5.131 ppm2 7.399 CV 1
ASSI { 345}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 39 and name HE3 ))
5.200 3.300 0.800 peak 345 spectrum 1 weight 0.10000E+01 volume 0.14483E-03 ppm1 4.203 ppm2 8.128 CV 1
ASSI { 348}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 5 and name HN ))
3.200 1.300 1.300 peak 348 spectrum 1 weight 0.10000E+01 volume 0.59880E-03 ppm1 1.972 ppm2 8.686 CV 1
ASSI { 353}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HN ))
3.500 1.500 1.500 peak 353 spectrum 1 weight 0.10000E+01 volume 0.23396E-03 ppm1 3.076 ppm2 8.149 CV 1
ASSI { 356}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HA ))
3.600 1.600 1.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.19079E-03 ppm1 1.712 ppm2 5.240 CV 1
ASSI { 358}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 37 and name HA ))
4.100 2.100 1.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.18800E-03 ppm1 1.186 ppm2 6.125 CV 1
ASSI { 359}
(( segid " " and resid 36 and name HG1 ))
(( segid " " and resid 37 and name HN ))
3.600 1.600 1.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.10194E-03 ppm1 2.315 ppm2 8.505 CV 1
ASSI { 360}
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 35 and name HN ))
5.000 3.200 1.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.14901E-03 ppm1 2.146 ppm2 7.935 CV 1
ASSI { 362}
(( segid " " and resid 39 and name HH2 ))
(( segid " " and resid 39 and name HE3 ))
3.600 1.600 1.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.78680E-03 ppm1 7.086 ppm2 8.122 CV 1
ASSI { 364}
( segid " " and resid 30 and name HE% )
(( segid " " and resid 35 and name HN ))
4.900 3.000 1.100 peak 364 spectrum 1 weight 0.10000E+01 volume 0.22838E-03 ppm1 6.597 ppm2 7.940 CV 1
ASSI { 365}
(( segid " " and resid 6 and name HE ))
(( segid " " and resid 26 and name HN ))
5.800 4.200 0.200 peak 365 spectrum 1 weight 0.10000E+01 volume 0.89406E-04 ppm1 7.206 ppm2 7.821 CV 1
ASSI { 368}
(( segid " " and resid 42 and name HD1 ))
(( segid " " and resid 41 and name HN ))
5.500 3.800 0.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.93442E-04 ppm1 2.563 ppm2 8.246 CV 1
ASSI { 370}
( segid " " and resid 29 and name HE% )
(( segid " " and resid 29 and name HN ))
4.900 2.900 1.100 peak 370 spectrum 1 weight 0.10000E+01 volume 0.26181E-03 ppm1 6.716 ppm2 9.013 CV 1
ASSI { 371}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 30 and name HN ))
3.500 1.500 1.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.72415E-03 ppm1 3.180 ppm2 9.433 CV 1
ASSI { 375}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 28 and name HD% )
4.600 2.700 1.400 peak 375 spectrum 1 weight 0.10000E+01 volume 0.95251E-04 ppm1 6.125 ppm2 6.824 CV 1
ASSI { 376}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 39 and name HH2 ))
4.700 2.800 1.300 peak 376 spectrum 1 weight 0.10000E+01 volume 0.10013E-03 ppm1 4.533 ppm2 7.080 CV 1
ASSI { 378}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 24 and name HN ))
5.300 3.500 0.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.88431E-04 ppm1 4.967 ppm2 7.917 CV 1
ASSI { 384}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 39 and name HZ3 ))
2.200 0.600 0.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.27434E-02 ppm1 4.620 ppm2 6.923 CV 1
ASSI { 389}
(( segid " " and resid 38 and name HB ))
(( segid " " and resid 36 and name HE21))
4.500 2.500 1.500 peak 389 spectrum 1 weight 0.10000E+01 volume 0.71581E-04 ppm1 4.254 ppm2 7.608 CV 1
ASSI { 392}
(( segid " " and resid 27 and name HB ))
(( segid " " and resid 22 and name HN ))
6.000 6.000 0.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.47209E-05 ppm1 3.994 ppm2 9.633 CV 1
ASSI { 401}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 16 and name HN ))
3.200 1.300 1.300 peak 401 spectrum 1 weight 0.10000E+01 volume 0.49994E-03 ppm1 7.353 ppm2 8.565 CV 1
ASSI { 402}
( segid " " and resid 108 and name HD1%)
(( segid " " and resid 39 and name HH2 ))
4.100 2.100 1.900 peak 402 spectrum 1 weight 0.11000E+01 volume 0.23952E-03 ppm1 0.924 ppm2 7.090 CV 1
ASSI { 405}
( segid " " and resid 27 and name HG2%)
(( segid " " and resid 22 and name HN ))
6.000 6.000 0.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.27852E-04 ppm1 0.925 ppm2 9.637 CV 1
ASSI { 406}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HE ))
3.200 1.300 1.300 peak 406 spectrum 1 weight 0.10000E+01 volume 0.63922E-03 ppm1 4.531 ppm2 7.207 CV 1
ASSI { 408}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 17 and name HE3 ))
4.300 2.300 1.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.97762E-04 ppm1 0.055 ppm2 7.383 CV 1
ASSI { 409}
(( segid " " and resid 16 and name HG1 ))
(( segid " " and resid 16 and name HN ))
3.900 1.900 1.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.35790E-03 ppm1 2.529 ppm2 8.565 CV 1
ASSI { 410}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 27 and name HN ))
5.200 3.400 0.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.76729E-04 ppm1 1.401 ppm2 8.872 CV 1
ASSI { 411}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 39 and name HN ))
5.300 3.500 0.700 peak 411 spectrum 1 weight 0.10000E+01 volume 0.63644E-04 ppm1 8.298 ppm2 8.689 CV 1
ASSI { 412}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
4.700 2.700 1.300 peak 412 spectrum 1 weight 0.10000E+01 volume 0.19357E-03 ppm1 7.821 ppm2 8.871 CV 1
ASSI { 413}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HN ))
5.300 3.500 0.700 peak 413 spectrum 1 weight 0.10000E+01 volume 0.72693E-04 ppm1 8.497 ppm2 9.451 CV 1
ASSI { 414}
(( segid " " and resid 110 and name HB1 ))
(( segid " " and resid 39 and name HE1 ))
5.700 4.100 0.300 peak 414 spectrum 1 weight 0.10000E+01 volume 0.71859E-04 ppm1 2.286 ppm2 10.023 CV 1
ASSI { 415}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 22 and name HN ))
5.400 3.600 0.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.76037E-04 ppm1 8.331 ppm2 9.635 CV 1
ASSI { 416}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 12 and name HN ))
6.000 5.000 0.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.85227E-04 ppm1 4.208 ppm2 8.254 CV 1
ASSI { 417}
(( segid " " and resid 39 and name HZ3 ))
(( segid " " and resid 26 and name HN ))
5.200 3.400 0.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.11447E-03 ppm1 6.918 ppm2 7.826 CV 1
ASSI { 421}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 16 and name HN ))
4.700 2.800 1.300 peak 421 spectrum 1 weight 0.10000E+01 volume 0.16293E-03 ppm1 4.037 ppm2 8.566 CV 1
ASSI { 423}
(( segid " " and resid 35 and name HD1 ))
(( segid " " and resid 35 and name HN ))
5.100 3.200 0.900 peak 423 spectrum 1 weight 0.10000E+01 volume 0.12868E-03 ppm1 1.614 ppm2 7.939 CV 1
ASSI { 425}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 29 and name HE% )
6.000 6.000 0.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.39411E-04 ppm1 5.129 ppm2 6.711 CV 1
ASSI { 428}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 17 and name HE3 ))
3.200 1.200 1.200 peak 428 spectrum 1 weight 0.10000E+01 volume 0.66286E-03 ppm1 5.726 ppm2 7.388 CV 1
ASSI { 432}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 22 and name HN ))
4.000 2.000 2.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.17965E-03 ppm1 1.989 ppm2 9.644 CV 1
ASSI { 434}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 26 and name HN ))
6.000 6.000 0.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.55287E-06 ppm1 2.951 ppm2 7.824 CV 1
ASSI { 437}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 39 and name HE3 ))
5.000 3.100 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.66286E-04 ppm1 1.592 ppm2 8.127 CV 1
ASSI { 439}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HE1 ))
6.000 4.400 0.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.72273E-04 ppm1 3.176 ppm2 10.409 CV 1
ASSI { 441}
(( segid " " and resid 39 and name HZ3 ))
(( segid " " and resid 27 and name HN ))
3.300 1.300 1.300 peak 441 spectrum 1 weight 0.10000E+01 volume 0.79933E-03 ppm1 6.920 ppm2 8.875 CV 1
ASSI { 443}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 26 and name HN ))
4.800 2.900 1.200 peak 443 spectrum 1 weight 0.10000E+01 volume 0.16572E-03 ppm1 4.194 ppm2 7.824 CV 1
ASSI { 445}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
3.700 1.800 1.800 peak 445 spectrum 1 weight 0.10000E+01 volume 0.48184E-03 ppm1 8.245 ppm2 8.567 CV 1
ASSI { 446}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 32 and name HN ))
4.700 2.800 1.300 peak 446 spectrum 1 weight 0.10000E+01 volume 0.40942E-03 ppm1 3.093 ppm2 8.313 CV 1
ASSI { 447}
(( segid " " and resid 6 and name HE ))
(( segid " " and resid 39 and name HE3 ))
4.800 2.900 1.200 peak 447 spectrum 1 weight 0.10000E+01 volume 0.82161E-04 ppm1 7.207 ppm2 8.126 CV 1
ASSI { 448}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 20 and name HN ))
5.200 3.400 0.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.73390E-04 ppm1 6.271 ppm2 8.580 CV 1
ASSI { 452}
(( segid " " and resid 17 and name HE3 ))
(( segid " " and resid 32 and name HN ))
5.500 3.800 0.500 peak 452 spectrum 1 weight 0.10000E+01 volume 0.78821E-04 ppm1 7.346 ppm2 8.311 CV 1
OR { 452}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 32 and name HN ))
ASSI { 453}
(( segid " " and resid 39 and name HH2 ))
(( segid " " and resid 39 and name HE1 ))
6.000 4.700 0.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.53196E-04 ppm1 7.096 ppm2 10.022 CV 1
ASSI { 454}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 30 and name HA ))
6.000 4.700 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.80771E-04 ppm1 2.295 ppm2 5.717 CV 1
ASSI { 458}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 30 and name HE% )
4.000 2.000 2.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.98176E-04 ppm1 4.446 ppm2 6.596 CV 1
ASSI { 462}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 34 and name HN ))
5.300 3.600 0.700 peak 462 spectrum 1 weight 0.10000E+01 volume 0.93862E-04 ppm1 7.023 ppm2 7.765 CV 1
ASSI { 465}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HN ))
4.500 2.500 1.500 peak 465 spectrum 1 weight 0.10000E+01 volume 0.10138E-03 ppm1 0.818 ppm2 8.241 CV 1
ASSI { 471}
( segid " " and resid 108 and name HD1%)
( segid " " and resid 28 and name HE% )
4.800 2.900 1.200 peak 471 spectrum 1 weight 0.11000E+01 volume 0.16711E-03 ppm1 0.922 ppm2 6.274 CV 1
ASSI { 473}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 33 and name HN ))
5.900 4.300 0.100 peak 473 spectrum 1 weight 0.10000E+01 volume 0.51665E-04 ppm1 3.924 ppm2 8.150 CV 1
ASSI { 475}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 36 and name HN ))
6.000 4.800 0.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.58071E-04 ppm1 4.111 ppm2 7.024 CV 1
ASSI { 477}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 26 and name HN ))
4.800 2.900 1.200 peak 477 spectrum 1 weight 0.10000E+01 volume 0.11016E-03 ppm1 5.239 ppm2 7.821 CV 1
ASSI { 478}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HE1 ))
5.900 4.300 0.100 peak 478 spectrum 1 weight 0.10000E+01 volume 0.51246E-04 ppm1 8.145 ppm2 10.410 CV 1
ASSI { 480}
( segid " " and resid 27 and name HG2%)
(( segid " " and resid 29 and name HN ))
6.000 4.800 0.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.37461E-04 ppm1 0.925 ppm2 9.020 CV 1
ASSI { 483}
(( segid " " and resid 41 and name HD1 ))
(( segid " " and resid 41 and name HN ))
5.600 3.900 0.400 peak 483 spectrum 1 weight 0.10000E+01 volume 0.73112E-04 ppm1 1.469 ppm2 8.252 CV 1
ASSI { 485}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 17 and name HE1 ))
4.800 2.900 1.200 peak 485 spectrum 1 weight 0.10000E+01 volume 0.51943E-04 ppm1 4.342 ppm2 10.409 CV 1
ASSI { 486}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 28 and name HD% )
5.300 3.500 0.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.97065E-04 ppm1 4.849 ppm2 6.848 CV 1
ASSI { 487}
(( segid " " and resid 27 and name HB ))
( segid " " and resid 29 and name HE% )
4.900 3.000 1.100 peak 487 spectrum 1 weight 0.10000E+01 volume 0.10333E-03 ppm1 4.027 ppm2 6.713 CV 1
ASSI { 493}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 30 and name HE% )
6.000 5.600 0.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.32447E-04 ppm1 5.729 ppm2 6.593 CV 1
ASSI { 498}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 22 and name HN ))
4.700 2.800 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.10180E-03 ppm1 8.876 ppm2 9.642 CV 1
ASSI { 499}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
4.800 2.900 1.200 peak 499 spectrum 1 weight 0.10000E+01 volume 0.10027E-03 ppm1 4.290 ppm2 7.763 CV 1
ASSI { 503}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 39 and name HH2 ))
6.000 4.600 0.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.50273E-04 ppm1 4.967 ppm2 7.090 CV 1
ASSI { 507}
(( segid " " and resid 108 and name HG ))
(( segid " " and resid 39 and name HZ2 ))
2.500 5.200 0.200 peak 507 spectrum 1 weight 0.11000E+01 volume 0.34119E-04 ppm1 1.475 ppm2 7.354 CV 1
ASSI { 508}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HZ3 ))
3.400 1.400 1.400 peak 508 spectrum 1 weight 0.10000E+01 volume 0.18800E-02 ppm1 5.134 ppm2 6.922 CV 1
ASSI { 510}
(( segid " " and resid 41 and name HG1 ))
(( segid " " and resid 41 and name HN ))
4.600 2.600 1.400 peak 510 spectrum 1 weight 0.10000E+01 volume 0.16433E-03 ppm1 1.045 ppm2 8.243 CV 1
ASSI { 511}
(( segid " " and resid 109 and name HG1 ))
(( segid " " and resid 38 and name HN ))
2.500 1.200 1.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.30219E-03 ppm1 1.859 ppm2 9.442 CV 1
OR { 511}
(( segid " " and resid 109 and name HB2 ))
(( segid " " and resid 38 and name HN ))
ASSI { 512}
(( segid " " and resid 110 and name HD1 ))
(( segid " " and resid 37 and name HN ))
3.700 3.700 2.300 peak 512 spectrum 1 weight 0.10000E+01 volume 0.63502E-04 ppm1 3.801 ppm2 8.517 CV 1
ASSI { 517}
( segid " " and resid 108 and name HD2%)
( segid " " and resid 28 and name HD% )
5.000 3.100 1.000 peak 517 spectrum 1 weight 0.11000E+01 volume 0.14344E-03 ppm1 0.849 ppm2 6.827 CV 1
ASSI { 520}
( segid " " and resid 30 and name HE% )
(( segid " " and resid 37 and name HN ))
5.800 4.300 0.200 peak 520 spectrum 1 weight 0.10000E+01 volume 0.34954E-04 ppm1 6.596 ppm2 8.503 CV 1
ASSI { 525}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 24 and name HN ))
6.000 5.400 0.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.28548E-04 ppm1 4.195 ppm2 7.914 CV 1
ASSI { 531}
(( segid " " and resid 36 and name HG1 ))
(( segid " " and resid 38 and name HN ))
4.900 3.000 1.100 peak 531 spectrum 1 weight 0.10000E+01 volume 0.69767E-04 ppm1 2.377 ppm2 9.441 CV 1
ASSI { 535}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 17 and name HD1 ))
4.900 3.100 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.15597E-03 ppm1 0.782 ppm2 7.353 CV 1
OR { 535}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 17 and name HE3 ))
ASSI { 536}
(( segid " " and resid 39 and name HZ3 ))
(( segid " " and resid 22 and name HN ))
6.000 6.000 0.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.57374E-05 ppm1 6.919 ppm2 9.635 CV 1
ASSI { 542}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 39 and name HZ3 ))
4.200 2.200 1.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.12060E-03 ppm1 1.589 ppm2 6.921 CV 1
ASSI { 545}
( segid " " and resid 108 and name HD1%)
(( segid " " and resid 39 and name HZ2 ))
4.300 2.300 1.700 peak 545 spectrum 1 weight 0.11000E+01 volume 0.20610E-03 ppm1 0.922 ppm2 7.358 CV 1
ASSI { 546}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 30 and name HA ))
2.100 2.100 3.900 peak 546 spectrum 1 weight 0.10000E+01 volume 0.18800E-01 ppm1 3.682 ppm2 5.708 CV 1
OR { 546}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 30 and name HA ))
ASSI { 549}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 26 and name HN ))
5.000 3.200 1.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.61694E-04 ppm1 1.396 ppm2 7.827 CV 1
ASSI { 551}
( segid " " and resid 108 and name HD2%)
(( segid " " and resid 108 and name HN ))
4.800 2.900 1.200 peak 551 spectrum 1 weight 0.10000E+01 volume 0.49716E-04 ppm1 0.853 ppm2 8.181 CV 1
ASSI { 552}
(( segid " " and resid 41 and name HG2 ))
( segid " " and resid 29 and name HE% )
3.500 1.500 1.500 peak 552 spectrum 1 weight 0.10000E+01 volume 0.67539E-03 ppm1 0.812 ppm2 6.715 CV 1
ASSI { 554}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 17 and name HD1 ))
6.000 4.900 0.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.77846E-04 ppm1 4.036 ppm2 7.349 CV 1
ASSI { 558}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 17 and name HD1 ))
5.000 3.100 1.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.63225E-04 ppm1 0.404 ppm2 7.378 CV 1
OR { 558}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 17 and name HE3 ))
ASSI { 564}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HE1 ))
6.000 5.000 0.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.43449E-04 ppm1 3.070 ppm2 10.408 CV 1
ASSI { 566}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HD1 ))
6.000 6.000 0.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.12742E-05 ppm1 4.846 ppm2 7.397 CV 1
OR { 566}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HZ2 ))
ASSI { 567}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 44 and name HN ))
6.000 6.000 0.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.13104E-04 ppm1 3.995 ppm2 7.915 CV 1
ASSI { 571}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 35 and name HN ))
3.400 1.400 1.400 peak 571 spectrum 1 weight 0.10000E+01 volume 0.92745E-03 ppm1 4.290 ppm2 7.938 CV 1
ASSI { 575}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
3.600 1.600 1.600 peak 575 spectrum 1 weight 0.10000E+01 volume 0.17129E-03 ppm1 4.454 ppm2 7.829 CV 1
ASSI { 576}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 39 and name HZ3 ))
5.600 4.000 0.400 peak 576 spectrum 1 weight 0.10000E+01 volume 0.24370E-04 ppm1 6.808 ppm2 6.931 CV 1
ASSI { 578}
(( segid " " and resid 35 and name HG1 ))
(( segid " " and resid 34 and name HN ))
5.900 4.400 0.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.40664E-04 ppm1 1.211 ppm2 7.760 CV 1
ASSI { 588}
(( segid " " and resid 107 and name HD2 ))
( segid " " and resid 30 and name HE% )
2.200 2.500 0.100 peak 588 spectrum 1 weight 0.10000E+01 volume 0.35929E-04 ppm1 3.535 ppm2 6.597 CV 1
ASSI { 589}
(( segid " " and resid 26 and name HG2 ))
(( segid " " and resid 22 and name HN ))
6.000 6.000 0.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.20332E-04 ppm1 1.615 ppm2 9.639 CV 1
ASSI { 591}
(( segid " " and resid 107 and name HD2 ))
( segid " " and resid 30 and name HD% )
2.200 4.100 0.100 peak 591 spectrum 1 weight 0.10000E+01 volume 0.85647E-05 ppm1 3.533 ppm2 6.990 CV 1
ASSI { 592}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 17 and name HE1 ))
4.700 2.800 1.300 peak 592 spectrum 1 weight 0.11000E+01 volume 0.22560E-03 ppm1 1.213 ppm2 10.409 CV 1
ASSI { 1}
(( segid " " and resid 22 and name HB1 ))
( segid " " and resid 108 and name HD2%)
4.500 2.600 1.500 peak 1 spectrum 1 weight 0.11000E+01 volume 0.40525E-03 ppm1 4.618 ppm2 0.853 CV 1
ASSI { 2}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 108 and name HD2%)
4.200 2.200 1.800 peak 2 spectrum 1 weight 0.11000E+01 volume 0.27852E-03 ppm1 4.193 ppm2 0.850 CV 1
ASSI { 3}
(( segid " " and resid 39 and name HB1 ))
( segid " " and resid 108 and name HD2%)
4.700 4.700 1.300 peak 3 spectrum 1 weight 0.11000E+01 volume 0.33144E-03 ppm1 3.642 ppm2 0.847 CV 1
ASSI { 4}
( segid " " and resid 108 and name HD1%)
(( segid " " and resid 39 and name HE1 ))
6.000 6.000 0.000 peak 4 spectrum 1 weight 0.11000E+01 volume 0.55985E-04 ppm1 0.926 ppm2 10.010 CV 1
ASSI { 5}
( segid " " and resid 108 and name HD2%)
(( segid " " and resid 39 and name HE1 ))
6.000 6.000 0.000 peak 5 spectrum 1 weight 0.11000E+01 volume 0.18800E-04 ppm1 0.855 ppm2 10.012 CV 1
ASSI { 6}
( segid " " and resid 108 and name HD1%)
(( segid " " and resid 22 and name HN ))
3.100 3.100 2.900 peak 6 spectrum 1 weight 0.11000E+01 volume 0.20889E-03 ppm1 0.925 ppm2 9.637 CV 1
ASSI { 7}
( segid " " and resid 108 and name HD2%)
(( segid " " and resid 22 and name HN ))
4.800 4.800 1.200 peak 7 spectrum 1 weight 0.11000E+01 volume 0.14205E-04 ppm1 0.854 ppm2 9.637 CV 1
ASSI { 11}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 108 and name HD2%)
3.100 3.100 2.900 peak 11 spectrum 1 weight 0.11000E+01 volume 0.60299E-02 ppm1 4.966 ppm2 0.851 CV 1
ASSI { 12}
(( segid " " and resid 108 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.300 2.300 3.700 peak 12 spectrum 1 weight 0.11000E+01 volume 0.11795E-02 ppm1 1.537 ppm2 9.637 CV 1
ASSI { 13}
(( segid " " and resid 23 and name HD2 ))
( segid " " and resid 108 and name HD1%)
2.900 1.100 1.100 peak 13 spectrum 1 weight 0.11000E+01 volume 0.68656E-03 ppm1 3.913 ppm2 0.923 CV 1
ASSI { 2}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 26 and name HB1 ))
3.800 1.800 1.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.87551E-03 ppm1 4.180 ppm2 1.946 CV 1
ASSI { 14}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 36 and name HB1 ))
3.300 1.400 1.400 peak 14 spectrum 1 weight 0.10000E+01 volume 0.81398E-03 ppm1 0.947 ppm2 2.023 CV 1
ASSI { 17}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
2.900 1.100 1.100 peak 17 spectrum 1 weight 0.10000E+01 volume 0.31828E-02 ppm1 4.440 ppm2 1.192 CV 1
ASSI { 18}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB1 ))
2.500 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.34503E-02 ppm1 4.427 ppm2 2.472 CV 1
ASSI { 20}
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 35 and name HA ))
2.300 0.700 0.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.41635E-02 ppm1 2.124 ppm2 3.632 CV 1
ASSI { 21}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HA ))
2.900 1.000 1.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.33522E-02 ppm1 2.042 ppm2 3.631 CV 1
ASSI { 25}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 16 and name HG2 ))
5.500 3.800 0.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.12927E-03 ppm1 4.293 ppm2 2.346 CV 1
ASSI { 26}
(( segid " " and resid 26 and name HB1 ))
(( segid " " and resid 5 and name HA ))
2.300 2.300 3.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.32720E-02 ppm1 1.913 ppm2 4.453 CV 1
ASSI { 27}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HA ))
3.300 1.400 1.400 peak 27 spectrum 1 weight 0.10000E+01 volume 0.10788E-02 ppm1 2.743 ppm2 4.575 CV 1
ASSI { 32}
(( segid " " and resid 33 and name HG1 ))
(( segid " " and resid 33 and name HA ))
3.800 1.800 1.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.59289E-03 ppm1 2.290 ppm2 4.287 CV 1
ASSI { 34}
(( segid " " and resid 40 and name HG1 ))
(( segid " " and resid 40 and name HA ))
5.400 3.600 0.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.52423E-04 ppm1 2.382 ppm2 4.453 CV 1
ASSI { 37}
(( segid " " and resid 36 and name HB1 ))
(( segid " " and resid 36 and name HA ))
3.200 1.200 1.200 peak 37 spectrum 1 weight 0.10000E+01 volume 0.21040E-02 ppm1 2.025 ppm2 4.436 CV 1
ASSI { 38}
(( segid " " and resid 37 and name HA ))
( segid " " and resid 30 and name HD% )
2.800 1.000 1.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.16850E-02 ppm1 6.102 ppm2 6.993 CV 1
ASSI { 39}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HB1 ))
2.100 0.600 0.600 peak 39 spectrum 1 weight 0.10000E+01 volume 0.60890E-02 ppm1 6.103 ppm2 3.620 CV 1
ASSI { 42}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB1 ))
2.500 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.28797E-02 ppm1 5.377 ppm2 2.896 CV 1
ASSI { 45}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
2.500 0.800 0.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.72748E-02 ppm1 5.234 ppm2 3.095 CV 1
ASSI { 46}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 30 and name HD% )
2.400 0.700 0.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.61249E-02 ppm1 5.726 ppm2 6.987 CV 1
ASSI { 47}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB1 ))
2.500 0.800 0.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.56611E-02 ppm1 5.727 ppm2 2.692 CV 1
ASSI { 48}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HE3 ))
2.300 0.600 0.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.61694E-02 ppm1 5.143 ppm2 8.134 CV 1
ASSI { 51}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB2 ))
3.500 1.500 1.500 peak 51 spectrum 1 weight 0.10000E+01 volume 0.99854E-03 ppm1 5.143 ppm2 3.165 CV 1
ASSI { 53}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB1 ))
2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.43240E-02 ppm1 5.148 ppm2 1.682 CV 1
ASSI { 55}
(( segid " " and resid 37 and name HB1 ))
( segid " " and resid 30 and name HD% )
3.400 1.500 1.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.53049E-03 ppm1 3.653 ppm2 6.982 CV 1
ASSI { 58}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 109 and name HA ))
2.500 1.800 1.000 peak 58 spectrum 1 weight 0.11000E+01 volume 0.89153E-03 ppm1 3.649 ppm2 4.621 CV 1
ASSI { 59}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 109 and name HG1 ))
2.500 2.900 1.000 peak 59 spectrum 1 weight 0.11000E+01 volume 0.14443E-02 ppm1 3.649 ppm2 1.904 CV 1
ASSI { 60}
(( segid " " and resid 37 and name HB2 ))
( segid " " and resid 30 and name HD% )
3.700 1.700 1.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.73284E-03 ppm1 3.579 ppm2 6.963 CV 1
ASSI { 61}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HA ))
2.600 0.800 0.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.28529E-02 ppm1 3.579 ppm2 6.101 CV 1
ASSI { 62}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 109 and name HA ))
3.000 1.500 1.000 peak 62 spectrum 1 weight 0.11000E+01 volume 0.66418E-03 ppm1 3.575 ppm2 4.626 CV 1
ASSI { 63}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 109 and name HG1 ))
2.500 2.700 1.000 peak 63 spectrum 1 weight 0.11000E+01 volume 0.80327E-03 ppm1 3.579 ppm2 1.890 CV 1
ASSI { 64}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 30 and name HD% )
4.000 2.000 2.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.51084E-03 ppm1 3.668 ppm2 6.985 CV 1
ASSI { 65}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 30 and name HE% )
2.300 2.300 3.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.60446E-02 ppm1 3.670 ppm2 6.581 CV 1
ASSI { 66}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB ))
2.200 0.600 0.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.92720E-02 ppm1 3.670 ppm2 4.270 CV 1
ASSI { 68}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB ))
3.600 1.600 1.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.50907E-03 ppm1 4.157 ppm2 2.097 CV 1
ASSI { 69}
(( segid " " and resid 10 and name HA ))
( segid " " and resid 10 and name HG1%)
6.000 4.700 0.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.33522E-04 ppm1 4.159 ppm2 0.928 CV 1
ASSI { 70}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB1 ))
2.100 0.600 0.600 peak 70 spectrum 1 weight 0.10000E+01 volume 0.87819E-02 ppm1 3.931 ppm2 1.172 CV 1
ASSI { 71}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HG2 ))
5.100 3.300 0.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.23002E-03 ppm1 3.934 ppm2 0.399 CV 1
ASSI { 72}
(( segid " " and resid 34 and name HA ))
( segid " " and resid 34 and name HG2%)
2.700 0.900 0.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.40654E-02 ppm1 4.087 ppm2 0.959 CV 1
ASSI { 73}
(( segid " " and resid 18 and name HB ))
(( segid " " and resid 18 and name HA ))
2.600 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.40387E-02 ppm1 4.246 ppm2 4.838 CV 1
ASSI { 76}
(( segid " " and resid 34 and name HB ))
(( segid " " and resid 35 and name HG1 ))
3.600 1.700 1.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.10164E-02 ppm1 4.254 ppm2 1.193 CV 1
ASSI { 77}
(( segid " " and resid 27 and name HB ))
(( segid " " and resid 27 and name HA ))
2.800 1.000 1.000 peak 77 spectrum 1 weight 0.10000E+01 volume 0.22378E-02 ppm1 4.029 ppm2 4.939 CV 1
ASSI { 78}
(( segid " " and resid 27 and name HB ))
( segid " " and resid 27 and name HG2%)
2.100 0.600 0.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.13195E-01 ppm1 4.030 ppm2 0.918 CV 1
ASSI { 79}
(( segid " " and resid 38 and name HB ))
(( segid " " and resid 36 and name HG1 ))
2.800 1.000 1.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.14086E-02 ppm1 4.214 ppm2 2.330 CV 1
ASSI { 80}
(( segid " " and resid 38 and name HB ))
( segid " " and resid 10 and name HG1%)
2.400 0.700 0.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.54474E-02 ppm1 4.215 ppm2 0.962 CV 1
ASSI { 84}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 30 and name HE% )
2.600 0.900 0.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.39406E-02 ppm1 3.630 ppm2 6.582 CV 1
ASSI { 85}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB1 ))
2.100 0.600 0.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10074E-01 ppm1 3.631 ppm2 2.068 CV 1
OR { 85}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB2 ))
ASSI { 86}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HG1 ))
2.800 1.000 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.48678E-02 ppm1 3.629 ppm2 1.191 CV 1
ASSI { 88}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 42 and name HD1 ))
2.400 0.700 0.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.43775E-02 ppm1 2.913 ppm2 2.509 CV 1
ASSI { 90}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB2 ))
2.300 0.700 0.700 peak 90 spectrum 1 weight 0.10000E+01 volume 0.48411E-02 ppm1 2.916 ppm2 1.304 CV 1
ASSI { 93}
(( segid " " and resid 23 and name HD1 ))
(( segid " " and resid 22 and name HB1 ))
3.900 1.900 1.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.14532E-02 ppm1 4.025 ppm2 4.593 CV 1
ASSI { 95}
(( segid " " and resid 23 and name HD1 ))
(( segid " " and resid 23 and name HG1 ))
2.200 0.600 0.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.54742E-02 ppm1 4.025 ppm2 2.108 CV 1
ASSI { 97}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 22 and name HB1 ))
3.100 1.200 1.200 peak 97 spectrum 1 weight 0.10000E+01 volume 0.26835E-02 ppm1 3.929 ppm2 4.594 CV 1
ASSI { 101}
(( segid " " and resid 42 and name HD1 ))
(( segid " " and resid 42 and name HB1 ))
3.300 1.400 1.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.91831E-03 ppm1 2.512 ppm2 1.190 CV 1
ASSI { 102}
(( segid " " and resid 42 and name HD1 ))
(( segid " " and resid 42 and name HG1 ))
3.100 1.200 1.200 peak 102 spectrum 1 weight 0.10000E+01 volume 0.72036E-03 ppm1 2.512 ppm2 0.783 CV 1
ASSI { 103}
(( segid " " and resid 42 and name HD1 ))
(( segid " " and resid 42 and name HG2 ))
3.700 1.700 1.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.82913E-03 ppm1 2.512 ppm2 0.382 CV 1
ASSI { 104}
(( segid " " and resid 42 and name HD2 ))
(( segid " " and resid 42 and name HB1 ))
3.900 1.900 1.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.88350E-03 ppm1 2.325 ppm2 1.195 CV 1
ASSI { 105}
(( segid " " and resid 42 and name HD2 ))
(( segid " " and resid 42 and name HG2 ))
3.500 1.500 1.500 peak 105 spectrum 1 weight 0.10000E+01 volume 0.30312E-03 ppm1 2.323 ppm2 0.379 CV 1
ASSI { 106}
(( segid " " and resid 42 and name HD2 ))
(( segid " " and resid 41 and name HA ))
2.400 0.700 0.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.40476E-02 ppm1 2.319 ppm2 2.910 CV 1
ASSI { 112}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 17 and name HE3 ))
3.800 1.800 1.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.29153E-03 ppm1 4.435 ppm2 7.382 CV 1
ASSI { 114}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB2 ))
2.600 0.900 0.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.19168E-02 ppm1 4.436 ppm2 0.047 CV 1
ASSI { 115}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 27 and name HG2%)
2.400 0.700 0.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.52867E-02 ppm1 4.938 ppm2 0.917 CV 1
ASSI { 120}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 39 and name HE3 ))
3.300 1.300 1.300 peak 120 spectrum 1 weight 0.10000E+01 volume 0.96287E-03 ppm1 4.984 ppm2 8.131 CV 1
ASSI { 122}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB1 ))
2.300 0.700 0.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.59910E-02 ppm1 4.987 ppm2 2.701 CV 1
ASSI { 123}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
2.300 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.47252E-02 ppm1 4.987 ppm2 2.384 CV 1
ASSI { 124}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB1 ))
2.700 0.900 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.39495E-02 ppm1 4.571 ppm2 2.816 CV 1
ASSI { 128}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 28 and name HB2 ))
1.700 0.400 0.500 peak 128 spectrum 1 weight 0.10000E+01 volume 0.78366E-02 ppm1 2.700 ppm2 2.384 CV 1
ASSI { 130}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 26 and name HB1 ))
4.800 2.900 1.200 peak 130 spectrum 1 weight 0.10000E+01 volume 0.18812E-03 ppm1 2.702 ppm2 1.933 CV 1
ASSI { 132}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 28 and name HD% )
2.400 0.700 0.700 peak 132 spectrum 1 weight 0.10000E+01 volume 0.32987E-02 ppm1 2.384 ppm2 6.842 CV 1
ASSI { 141}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 17 and name HZ3 ))
4.400 2.400 1.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.65084E-03 ppm1 2.293 ppm2 7.024 CV 1
OR { 141}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 17 and name HH2 ))
ASSI { 143}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 36 and name HB2 ))
5.300 3.500 0.700 peak 143 spectrum 1 weight 0.10000E+01 volume 0.16137E-03 ppm1 2.306 ppm2 1.725 CV 1
ASSI { 144}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 31 and name HA ))
3.400 1.400 1.400 peak 144 spectrum 1 weight 0.10000E+01 volume 0.11679E-02 ppm1 2.300 ppm2 4.447 CV 1
ASSI { 145}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 31 and name HB2 ))
1.600 0.300 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.18633E-01 ppm1 2.299 ppm2 0.048 CV 1
ASSI { 148}
(( segid " " and resid 19 and name HG1 ))
( segid " " and resid 27 and name HG2%)
2.700 0.900 0.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.28440E-02 ppm1 2.109 ppm2 0.921 CV 1
ASSI { 149}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HA ))
6.000 4.800 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.18098E-04 ppm1 1.774 ppm2 4.310 CV 1
ASSI { 150}
(( segid " " and resid 41 and name HB1 ))
(( segid " " and resid 41 and name HA ))
3.100 1.200 1.200 peak 150 spectrum 1 weight 0.10000E+01 volume 0.14978E-02 ppm1 1.360 ppm2 2.905 CV 1
ASSI { 151}
(( segid " " and resid 20 and name HB1 ))
( segid " " and resid 28 and name HE% )
3.300 1.400 1.400 peak 151 spectrum 1 weight 0.10000E+01 volume 0.62052E-03 ppm1 2.658 ppm2 6.249 CV 1
ASSI { 152}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 20 and name HA ))
2.700 0.900 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.24339E-02 ppm1 2.656 ppm2 4.440 CV 1
ASSI { 153}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 20 and name HB2 ))
1.600 0.300 0.600 peak 153 spectrum 1 weight 0.10000E+01 volume 0.18009E-01 ppm1 2.657 ppm2 1.180 CV 1
ASSI { 159}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HD1 ))
2.700 0.900 0.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.32987E-02 ppm1 3.056 ppm2 7.366 CV 1
OR { 159}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HE3 ))
ASSI { 163}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HE3 ))
6.000 4.500 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.12482E-03 ppm1 3.155 ppm2 8.127 CV 1
ASSI { 164}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HB1 ))
1.600 0.300 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.19257E-01 ppm1 3.167 ppm2 3.668 CV 1
ASSI { 165}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HE3 ))
3.200 1.300 1.300 peak 165 spectrum 1 weight 0.10000E+01 volume 0.66418E-03 ppm1 3.675 ppm2 8.142 CV 1
ASSI { 166}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HD1 ))
4.400 2.400 1.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.57950E-03 ppm1 3.670 ppm2 7.372 CV 1
ASSI { 167}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HA ))
2.600 0.800 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.22467E-02 ppm1 3.670 ppm2 5.143 CV 1
ASSI { 169}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 21 and name HA ))
4.200 2.300 1.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.44042E-03 ppm1 1.608 ppm2 5.155 CV 1
ASSI { 170}
(( segid " " and resid 35 and name HD1 ))
(( segid " " and resid 35 and name HA ))
3.200 1.300 1.300 peak 170 spectrum 1 weight 0.10000E+01 volume 0.18098E-02 ppm1 1.603 ppm2 3.639 CV 1
ASSI { 171}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 33 and name HA ))
2.700 0.900 0.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.47965E-02 ppm1 2.079 ppm2 4.293 CV 1
ASSI { 173}
(( segid " " and resid 35 and name HB2 ))
( segid " " and resid 30 and name HE% )
5.100 3.200 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.26211E-03 ppm1 2.047 ppm2 6.585 CV 1
ASSI { 178}
(( segid " " and resid 26 and name HG1 ))
(( segid " " and resid 26 and name HA ))
2.600 0.800 0.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.21040E-02 ppm1 1.604 ppm2 4.506 CV 1
ASSI { 179}
(( segid " " and resid 26 and name HG1 ))
(( segid " " and resid 28 and name HB1 ))
3.400 3.400 2.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.25855E-02 ppm1 1.649 ppm2 2.691 CV 1
ASSI { 182}
(( segid " " and resid 26 and name HG1 ))
(( segid " " and resid 26 and name HD1 ))
2.300 0.700 0.700 peak 182 spectrum 1 weight 0.10000E+01 volume 0.69540E-02 ppm1 1.617 ppm2 2.528 CV 1
ASSI { 184}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 42 and name HD2 ))
3.400 1.500 1.500 peak 184 spectrum 1 weight 0.10000E+01 volume 0.92720E-03 ppm1 0.775 ppm2 2.324 CV 1
ASSI { 185}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 42 and name HB1 ))
2.600 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.19346E-02 ppm1 0.770 ppm2 1.169 CV 1
ASSI { 186}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 42 and name HG2 ))
2.000 0.500 0.500 peak 186 spectrum 1 weight 0.10000E+01 volume 0.46717E-02 ppm1 0.775 ppm2 0.380 CV 1
ASSI { 189}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 42 and name HB1 ))
3.200 1.300 1.300 peak 189 spectrum 1 weight 0.10000E+01 volume 0.20238E-02 ppm1 0.386 ppm2 1.169 CV 1
ASSI { 193}
(( segid " " and resid 35 and name HG1 ))
(( segid " " and resid 35 and name HE1 ))
3.400 1.400 1.400 peak 193 spectrum 1 weight 0.10000E+01 volume 0.63477E-03 ppm1 1.193 ppm2 2.944 CV 1
ASSI { 194}
(( segid " " and resid 35 and name HG1 ))
(( segid " " and resid 35 and name HB2 ))
2.100 0.500 0.500 peak 194 spectrum 1 weight 0.10000E+01 volume 0.12214E-01 ppm1 1.190 ppm2 2.082 CV 1
OR { 194}
(( segid " " and resid 35 and name HG1 ))
(( segid " " and resid 35 and name HB1 ))
ASSI { 195}
(( segid " " and resid 14 and name HG1 ))
(( segid " " and resid 14 and name HA ))
3.800 1.900 1.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.34414E-03 ppm1 1.447 ppm2 4.323 CV 1
ASSI { 198}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 21 and name HA ))
2.900 1.100 1.100 peak 198 spectrum 1 weight 0.10000E+01 volume 0.11233E-02 ppm1 1.379 ppm2 5.152 CV 1
ASSI { 199}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 27 and name HA ))
3.900 1.900 1.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.33879E-03 ppm1 1.381 ppm2 4.938 CV 1
ASSI { 200}
(( segid " " and resid 41 and name HG1 ))
(( segid " " and resid 42 and name HD2 ))
3.500 1.600 1.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.24072E-03 ppm1 1.031 ppm2 2.322 CV 1
ASSI { 202}
(( segid " " and resid 41 and name HG1 ))
(( segid " " and resid 41 and name HA ))
3.200 1.300 1.300 peak 202 spectrum 1 weight 0.10000E+01 volume 0.11412E-02 ppm1 1.025 ppm2 2.898 CV 1
ASSI { 205}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 42 and name HD2 ))
3.900 1.900 1.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.51534E-03 ppm1 0.799 ppm2 2.319 CV 1
ASSI { 206}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HA ))
3.400 1.400 1.400 peak 206 spectrum 1 weight 0.10000E+01 volume 0.14443E-02 ppm1 0.807 ppm2 2.894 CV 1
ASSI { 208}
( segid " " and resid 32 and name HG2%)
( segid " " and resid 30 and name HD% )
2.900 2.900 3.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.36018E-02 ppm1 1.384 ppm2 6.975 CV 1
ASSI { 210}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 17 and name HA ))
4.500 2.600 1.500 peak 210 spectrum 1 weight 0.10000E+01 volume 0.17028E-03 ppm1 1.385 ppm2 5.248 CV 1
ASSI { 212}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 32 and name HB ))
2.300 0.700 0.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.56879E-02 ppm1 1.383 ppm2 4.272 CV 1
ASSI { 213}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 32 and name HA ))
2.700 0.900 0.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.62942E-02 ppm1 1.385 ppm2 3.667 CV 1
ASSI { 217}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 17 and name HA ))
5.500 3.800 0.500 peak 217 spectrum 1 weight 0.10000E+01 volume 0.92720E-04 ppm1 1.317 ppm2 5.222 CV 1
ASSI { 218}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 18 and name HA ))
2.400 0.700 0.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.73552E-02 ppm1 1.319 ppm2 4.844 CV 1
ASSI { 220}
( segid " " and resid 18 and name HG2%)
(( segid " " and resid 18 and name HB ))
2.100 0.500 0.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.14889E-01 ppm1 1.319 ppm2 4.244 CV 1
ASSI { 222}
( segid " " and resid 10 and name HG1%)
(( segid " " and resid 109 and name HB1 ))
3.600 3.600 2.400 peak 222 spectrum 1 weight 0.10000E+01 volume 0.12482E-02 ppm1 0.936 ppm2 2.143 CV 1
ASSI { 224}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 17 and name HZ3 ))
2.400 0.700 0.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.43329E-02 ppm1 1.194 ppm2 7.034 CV 1
OR { 224}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 17 and name HH2 ))
ASSI { 232}
(( segid " " and resid 26 and name HD1 ))
(( segid " " and resid 26 and name HB1 ))
3.600 1.600 1.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.13551E-02 ppm1 2.526 ppm2 1.937 CV 1
ASSI { 237}
(( segid " " and resid 30 and name HB1 ))
(( segid " " and resid 20 and name HD2 ))
2.800 1.000 1.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.19346E-02 ppm1 2.688 ppm2 6.667 CV 1
ASSI { 240}
(( segid " " and resid 35 and name HE1 ))
(( segid " " and resid 35 and name HD1 ))
3.100 1.200 1.200 peak 240 spectrum 1 weight 0.10000E+01 volume 0.14443E-02 ppm1 2.960 ppm2 1.584 CV 1
ASSI { 243}
(( segid " " and resid 21 and name HE1 ))
(( segid " " and resid 21 and name HG1 ))
4.600 2.600 1.400 peak 243 spectrum 1 weight 0.10000E+01 volume 0.30223E-03 ppm1 2.922 ppm2 1.376 CV 1
ASSI { 245}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HA ))
3.300 1.400 1.400 peak 245 spectrum 1 weight 0.10000E+01 volume 0.11412E-02 ppm1 2.714 ppm2 5.376 CV 1
ASSI { 246}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 38 and name HG2%)
2.700 0.900 0.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.22378E-02 ppm1 2.720 ppm2 1.192 CV 1
ASSI { 249}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 15 and name HA ))
3.200 3.200 2.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.42170E-02 ppm1 1.944 ppm2 4.494 CV 1
ASSI { 250}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 15 and name HA ))
3.700 1.700 1.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.10164E-02 ppm1 1.833 ppm2 4.502 CV 1
ASSI { 251}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 29 and name HD% )
3.200 3.200 2.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.81307E-03 ppm1 4.593 ppm2 6.841 CV 1
ASSI { 252}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HG1 ))
3.400 1.400 1.400 peak 252 spectrum 1 weight 0.10000E+01 volume 0.74355E-03 ppm1 4.598 ppm2 2.092 CV 1
ASSI { 262}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HB1 ))
1.600 0.300 0.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.10074E-01 ppm1 4.181 ppm2 4.589 CV 1
ASSI { 264}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 25 and name HA2 ))
1.600 0.300 0.600 peak 264 spectrum 1 weight 0.10000E+01 volume 0.30402E-01 ppm1 4.335 ppm2 3.634 CV 1
ASSI { 266}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 21 and name HB1 ))
4.500 2.500 1.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.48767E-03 ppm1 4.345 ppm2 1.694 CV 1
ASSI { 278}
(( segid " " and resid 23 and name HG1 ))
(( segid " " and resid 23 and name HA ))
3.100 1.200 1.200 peak 278 spectrum 1 weight 0.10000E+01 volume 0.13908E-02 ppm1 2.067 ppm2 4.400 CV 1
ASSI { 280}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 5 and name HA ))
2.800 1.000 1.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.36821E-02 ppm1 1.850 ppm2 4.455 CV 1
ASSI { 286}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HG1 ))
2.000 0.500 0.500 peak 286 spectrum 1 weight 0.10000E+01 volume 0.97176E-02 ppm1 2.042 ppm2 1.191 CV 1
ASSI { 287}
(( segid " " and resid 35 and name HB1 ))
( segid " " and resid 30 and name HE% )
4.400 2.400 1.600 peak 287 spectrum 1 weight 0.10000E+01 volume 0.26390E-03 ppm1 2.113 ppm2 6.587 CV 1
ASSI { 288}
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 35 and name HG1 ))
2.300 2.300 3.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.13373E-01 ppm1 2.128 ppm2 1.194 CV 1
ASSI { 289}
(( segid " " and resid 21 and name HB1 ))
(( segid " " and resid 21 and name HG1 ))
2.500 0.800 0.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.73107E-02 ppm1 1.699 ppm2 1.414 CV 1
ASSI { 291}
(( segid " " and resid 20 and name HE1 ))
(( segid " " and resid 18 and name HB ))
5.800 4.200 0.200 peak 291 spectrum 1 weight 0.10000E+01 volume 0.11590E-03 ppm1 8.632 ppm2 4.240 CV 1
ASSI { 298}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 37 and name HB1 ))
3.000 1.100 1.100 peak 298 spectrum 1 weight 0.10000E+01 volume 0.12214E-02 ppm1 6.837 ppm2 3.640 CV 1
ASSI { 299}
( segid " " and resid 29 and name HD% )
(( segid " " and resid 29 and name HB1 ))
2.600 0.800 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.24963E-02 ppm1 6.844 ppm2 2.902 CV 1
ASSI { 310}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 14 and name HA ))
4.500 2.600 1.500 peak 310 spectrum 1 weight 0.10000E+01 volume 0.23893E-03 ppm1 7.331 ppm2 4.310 CV 1
ASSI { 317}
(( segid " " and resid 17 and name HZ3 ))
(( segid " " and resid 31 and name HB2 ))
3.800 1.800 1.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.21219E-03 ppm1 7.003 ppm2 0.050 CV 1
ASSI { 318}
(( segid " " and resid 17 and name HZ3 ))
(( segid " " and resid 30 and name HA ))
4.700 2.800 1.300 peak 318 spectrum 1 weight 0.10000E+01 volume 0.11233E-03 ppm1 7.002 ppm2 5.729 CV 1
ASSI { 320}
(( segid " " and resid 17 and name HZ3 ))
(( segid " " and resid 29 and name HB2 ))
6.000 6.000 0.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.12838E-04 ppm1 6.999 ppm2 2.717 CV 1
ASSI { 321}
(( segid " " and resid 17 and name HZ3 ))
( segid " " and resid 38 and name HG2%)
2.900 1.100 1.100 peak 321 spectrum 1 weight 0.10000E+01 volume 0.11768E-02 ppm1 7.004 ppm2 1.192 CV 1
ASSI { 323}
(( segid " " and resid 39 and name HZ3 ))
(( segid " " and resid 28 and name HB1 ))
2.900 1.000 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.72480E-03 ppm1 6.895 ppm2 2.689 CV 1
ASSI { 325}
(( segid " " and resid 39 and name HZ3 ))
(( segid " " and resid 28 and name HB2 ))
5.200 3.300 0.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.28618E-03 ppm1 6.884 ppm2 2.385 CV 1
ASSI { 327}
(( segid " " and resid 39 and name HZ3 ))
(( segid " " and resid 26 and name HG1 ))
5.500 3.800 0.500 peak 327 spectrum 1 weight 0.10000E+01 volume 0.91831E-04 ppm1 6.898 ppm2 1.657 CV 1
ASSI { 331}
(( segid " " and resid 39 and name HE3 ))
(( segid " " and resid 26 and name HB1 ))
4.600 2.600 1.400 peak 331 spectrum 1 weight 0.10000E+01 volume 0.17296E-03 ppm1 8.128 ppm2 1.925 CV 1
ASSI { 332}
(( segid " " and resid 17 and name HE3 ))
(( segid " " and resid 17 and name HZ3 ))
2.300 0.700 0.700 peak 332 spectrum 1 weight 0.10000E+01 volume 0.45558E-02 ppm1 7.388 ppm2 7.001 CV 1
ASSI { 333}
(( segid " " and resid 17 and name HE3 ))
(( segid " " and resid 17 and name HA ))
2.700 0.900 0.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.29777E-02 ppm1 7.387 ppm2 5.237 CV 1
ASSI { 334}
(( segid " " and resid 17 and name HE3 ))
(( segid " " and resid 17 and name HB2 ))
3.500 1.500 1.500 peak 334 spectrum 1 weight 0.10000E+01 volume 0.40030E-02 ppm1 7.386 ppm2 3.077 CV 1
ASSI { 339}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 29 and name HA ))
4.700 2.800 1.300 peak 339 spectrum 1 weight 0.10000E+01 volume 0.13730E-03 ppm1 6.674 ppm2 5.398 CV 1
ASSI { 342}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HB2 ))
3.100 1.200 1.200 peak 342 spectrum 1 weight 0.10000E+01 volume 0.95393E-03 ppm1 6.674 ppm2 1.176 CV 1
ASSI { 347}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 22 and name HB2 ))
4.200 2.200 1.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.34235E-03 ppm1 6.245 ppm2 4.189 CV 1
ASSI { 348}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 37 and name HB1 ))
3.600 1.600 1.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.34948E-03 ppm1 6.244 ppm2 3.659 CV 1
ASSI { 359}
( segid " " and resid 29 and name HE% )
( segid " " and resid 27 and name HG2%)
2.900 1.000 1.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.20149E-02 ppm1 6.688 ppm2 0.916 CV 1
ASSI { 362}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 39 and name HH2 ))
2.200 0.600 0.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.65705E-02 ppm1 7.350 ppm2 7.089 CV 1
ASSI { 364}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 22 and name HB2 ))
5.700 4.100 0.300 peak 364 spectrum 1 weight 0.10000E+01 volume 0.14710E-03 ppm1 7.355 ppm2 4.163 CV 1
ASSI { 365}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 109 and name HD2 ))
3.000 1.600 1.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.35662E-03 ppm1 7.346 ppm2 3.471 CV 1
ASSI { 366}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 109 and name HB2 ))
4.000 2.700 1.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.14889E-03 ppm1 7.350 ppm2 1.873 CV 1
ASSI { 369}
(( segid " " and resid 42 and name HG1 ))
(( segid " " and resid 17 and name HD1 ))
5.400 3.600 0.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.13730E-03 ppm1 0.775 ppm2 7.340 CV 1
ASSI { 370}
(( segid " " and resid 42 and name HG2 ))
(( segid " " and resid 17 and name HE3 ))
5.000 3.100 1.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.14354E-03 ppm1 0.384 ppm2 7.409 CV 1
ASSI { 371}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 18 and name HB ))
5.200 3.300 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.55722E-04 ppm1 6.673 ppm2 4.245 CV 1
ASSI { 372}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 106 and name HG1 ))
2.200 3.500 0.100 peak 372 spectrum 1 weight 0.10000E+01 volume 0.87193E-04 ppm1 6.678 ppm2 1.832 CV 1
ASSI { 378}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 17 and name HA ))
2.300 0.700 0.700 peak 378 spectrum 1 weight 0.11000E+01 volume 0.56076E-02 ppm1 4.442 ppm2 5.234 CV 1
ASSI { 380}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 17 and name HH2 ))
3.500 1.600 1.600 peak 380 spectrum 1 weight 0.11000E+01 volume 0.41724E-03 ppm1 0.045 ppm2 7.026 CV 1
ASSI { 381}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 19 and name HA ))
2.300 0.700 0.700 peak 381 spectrum 1 weight 0.11000E+01 volume 0.55813E-02 ppm1 5.376 ppm2 4.584 CV 1
ASSI { 382}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 21 and name HA ))
2.300 0.700 0.700 peak 382 spectrum 1 weight 0.11000E+01 volume 0.45736E-02 ppm1 4.939 ppm2 5.163 CV 1
ASSI { 386}
(( segid " " and resid 17 and name HB1 ))
( segid " " and resid 29 and name HD% )
5.300 3.500 0.700 peak 386 spectrum 1 weight 0.11000E+01 volume 0.39139E-04 ppm1 3.165 ppm2 6.819 CV 1
ASSI { 387}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 29 and name HD% )
5.400 5.400 0.600 peak 387 spectrum 1 weight 0.11000E+01 volume 0.12125E-03 ppm1 3.080 ppm2 6.836 CV 1
ASSI { 388}
(( segid " " and resid 42 and name HD1 ))
( segid " " and resid 29 and name HD% )
3.200 3.200 2.800 peak 388 spectrum 1 weight 0.11000E+01 volume 0.41992E-03 ppm1 2.512 ppm2 6.846 CV 1
ASSI { 389}
(( segid " " and resid 42 and name HD2 ))
( segid " " and resid 29 and name HD% )
4.600 2.700 1.400 peak 389 spectrum 1 weight 0.11000E+01 volume 0.46182E-04 ppm1 2.319 ppm2 6.843 CV 1
ASSI { 390}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 30 and name HA ))
2.000 0.500 0.500 peak 390 spectrum 1 weight 0.11000E+01 volume 0.55186E-02 ppm1 6.102 ppm2 5.718 CV 1
ASSI { 393}
(( segid " " and resid 17 and name HZ2 ))
(( segid " " and resid 31 and name HB2 ))
5.000 5.000 1.000 peak 393 spectrum 1 weight 0.11000E+01 volume 0.80241E-04 ppm1 7.506 ppm2 -0.010 CV 1
ASSI { 395}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 39 and name HE3 ))
3.100 1.200 1.200 peak 395 spectrum 1 weight 0.11000E+01 volume 0.75694E-03 ppm1 2.697 ppm2 8.130 CV 1
ASSI { 396}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 39 and name HE3 ))
4.200 2.200 1.800 peak 396 spectrum 1 weight 0.11000E+01 volume 0.35751E-03 ppm1 2.387 ppm2 8.140 CV 1
ASSI { 398}
(( segid " " and resid 20 and name HE1 ))
(( segid " " and resid 105 and name HG1 ))
6.000 4.500 0.000 peak 398 spectrum 1 weight 0.11000E+01 volume 0.55095E-04 ppm1 8.629 ppm2 1.910 CV 1
ASSI { 399}
( segid " " and resid 30 and name HD% )
(( segid " " and resid 106 and name HG1 ))
3.000 3.900 1.000 peak 399 spectrum 1 weight 0.11000E+01 volume 0.54474E-03 ppm1 6.978 ppm2 1.902 CV 1
ASSI { 400}
( segid " " and resid 28 and name HE% )
( segid " " and resid 108 and name HD2%)
3.800 1.800 1.800 peak 400 spectrum 1 weight 0.11000E+01 volume 0.60890E-03 ppm1 6.242 ppm2 0.865 CV 1
ASSI { 402}
(( segid " " and resid 39 and name HZ2 ))
( segid " " and resid 108 and name HD2%)
4.700 2.800 1.300 peak 402 spectrum 1 weight 0.11000E+01 volume 0.22734E-03 ppm1 7.352 ppm2 0.871 CV 1
ASSI { 404}
(( segid " " and resid 23 and name HD1 ))
( segid " " and resid 108 and name HD2%)
3.700 1.700 1.700 peak 404 spectrum 1 weight 0.11000E+01 volume 0.52155E-03 ppm1 4.026 ppm2 0.876 CV 1
ASSI { 405}
(( segid " " and resid 23 and name HD2 ))
( segid " " and resid 108 and name HD2%)
3.800 1.800 1.800 peak 405 spectrum 1 weight 0.11000E+01 volume 0.41635E-03 ppm1 3.931 ppm2 0.881 CV 1
ASSI { 406}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 109 and name HG1 ))
3.100 3.100 2.900 peak 406 spectrum 1 weight 0.11000E+01 volume 0.25587E-02 ppm1 6.244 ppm2 1.852 CV 1
ASSI { 1}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA2 ))
1.900 1.900 4.100 peak 1 spectrum 1 weight 0.10000E+01 volume 0.22105E-01 ppm1 8.326 ppm2 3.618 CV 1
ASSI { 3}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
2.000 0.500 0.500 peak 3 spectrum 1 weight 0.10000E+01 volume 0.20924E-01 ppm1 8.408 ppm2 4.434 CV 1
ASSI { 4}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
1.900 0.500 0.500 peak 4 spectrum 1 weight 0.10000E+01 volume 0.17380E-01 ppm1 8.184 ppm2 4.451 CV 1
ASSI { 5}
(( segid " " and resid 36 and name HE21))
(( segid " " and resid 36 and name HE22))
1.600 0.300 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.16672E-01 ppm1 7.575 ppm2 6.956 CV 1
ASSI { 6}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA ))
1.900 0.400 0.400 peak 6 spectrum 1 weight 0.10000E+01 volume 0.15828E-01 ppm1 9.454 ppm2 5.361 CV 1
ASSI { 7}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HA ))
1.900 0.400 0.400 peak 7 spectrum 1 weight 0.10000E+01 volume 0.14039E-01 ppm1 8.217 ppm2 4.429 CV 1
ASSI { 9}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HA ))
2.000 0.500 0.500 peak 9 spectrum 1 weight 0.10000E+01 volume 0.11812E-01 ppm1 7.909 ppm2 3.620 CV 1
ASSI { 10}
(( segid " " and resid 31 and name HD21))
(( segid " " and resid 12 and name HA ))
2.800 2.800 3.200 peak 10 spectrum 1 weight 0.10000E+01 volume 0.11727E-01 ppm1 6.629 ppm2 4.496 CV 1
ASSI { 14}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HA ))
2.000 0.500 0.500 peak 14 spectrum 1 weight 0.10000E+01 volume 0.11323E-01 ppm1 9.013 ppm2 4.956 CV 1
ASSI { 15}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB ))
2.200 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.10918E-01 ppm1 8.880 ppm2 4.008 CV 1
ASSI { 16}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA1 ))
2.500 0.800 0.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.10799E-01 ppm1 8.327 ppm2 4.315 CV 1
ASSI { 18}
(( segid " " and resid 39 and name HE1 ))
(( segid " " and resid 39 and name HD1 ))
2.200 0.600 0.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.10377E-01 ppm1 9.988 ppm2 7.354 CV 1
OR { 18}
(( segid " " and resid 39 and name HE1 ))
(( segid " " and resid 39 and name HZ2 ))
ASSI { 19}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
2.000 0.500 0.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.97868E-02 ppm1 8.543 ppm2 4.559 CV 1
ASSI { 20}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB1 ))
2.200 0.600 0.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.95004E-02 ppm1 8.696 ppm2 1.809 CV 1
ASSI { 21}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
2.100 0.500 0.500 peak 21 spectrum 1 weight 0.10000E+01 volume 0.91290E-02 ppm1 9.402 ppm2 5.212 CV 1
ASSI { 22}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HA ))
2.100 0.500 0.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.88759E-02 ppm1 8.489 ppm2 4.412 CV 1
ASSI { 23}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA ))
2.000 0.500 0.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.88082E-02 ppm1 8.891 ppm2 4.931 CV 1
ASSI { 24}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB1 ))
2.200 0.600 0.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.81165E-02 ppm1 8.146 ppm2 2.052 CV 1
ASSI { 25}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB1 ))
2.100 0.500 0.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.78634E-02 ppm1 9.455 ppm2 2.670 CV 1
ASSI { 26}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA ))
2.300 0.700 0.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.76270E-02 ppm1 8.880 ppm2 4.494 CV 1
ASSI { 27}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HN ))
2.200 0.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.74415E-02 ppm1 7.751 ppm2 8.123 CV 1
ASSI { 28}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA ))
2.000 0.500 0.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.74244E-02 ppm1 8.317 ppm2 4.428 CV 1
ASSI { 30}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HB2 ))
2.200 0.600 0.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.66145E-02 ppm1 8.649 ppm2 3.162 CV 1
ASSI { 34}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 18 and name HG2%)
2.700 0.900 0.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.55010E-02 ppm1 9.404 ppm2 1.321 CV 1
ASSI { 35}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB2 ))
2.300 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.54671E-02 ppm1 9.013 ppm2 2.361 CV 1
ASSI { 37}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
2.500 0.800 0.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.51635E-02 ppm1 8.487 ppm2 4.507 CV 1
ASSI { 38}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 36 and name HN ))
2.600 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.51635E-02 ppm1 7.909 ppm2 6.984 CV 1
ASSI { 40}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 10 and name HG1%)
2.600 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.45898E-02 ppm1 8.184 ppm2 0.928 CV 1
ASSI { 41}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HB1 ))
2.200 0.600 0.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.44548E-02 ppm1 7.751 ppm2 2.058 CV 1
ASSI { 42}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
2.200 0.600 0.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.39823E-02 ppm1 8.326 ppm2 7.821 CV 1
ASSI { 44}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
2.700 0.900 0.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.37798E-02 ppm1 8.215 ppm2 4.307 CV 1
ASSI { 45}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 32 and name HG2%)
2.400 0.700 0.700 peak 45 spectrum 1 weight 0.10000E+01 volume 0.35605E-02 ppm1 8.318 ppm2 1.368 CV 1
ASSI { 47}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
2.700 0.900 0.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.31555E-02 ppm1 8.115 ppm2 5.205 CV 1
ASSI { 48}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB1 ))
3.000 1.200 1.200 peak 48 spectrum 1 weight 0.10000E+01 volume 0.30373E-02 ppm1 8.408 ppm2 1.684 CV 1
ASSI { 49}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA1 ))
2.800 0.900 0.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.29024E-02 ppm1 8.465 ppm2 4.006 CV 1
ASSI { 50}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
2.800 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.28180E-02 ppm1 8.314 ppm2 4.315 CV 1
ASSI { 52}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB1 ))
3.400 1.500 1.500 peak 52 spectrum 1 weight 0.10000E+01 volume 0.26830E-02 ppm1 8.489 ppm2 2.014 CV 1
ASSI { 53}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 34 and name HG2%)
3.200 1.300 1.300 peak 53 spectrum 1 weight 0.10000E+01 volume 0.26492E-02 ppm1 7.751 ppm2 0.954 CV 1
ASSI { 56}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HG1 ))
3.400 1.400 1.400 peak 56 spectrum 1 weight 0.10000E+01 volume 0.22611E-02 ppm1 7.791 ppm2 1.601 CV 1
ASSI { 57}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HA ))
2.700 0.900 0.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.21937E-02 ppm1 6.998 ppm2 3.620 CV 1
ASSI { 58}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HG1 ))
3.300 1.400 1.400 peak 58 spectrum 1 weight 0.10000E+01 volume 0.20418E-02 ppm1 8.543 ppm2 2.080 CV 1
ASSI { 62}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HG1 ))
3.900 1.900 1.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.16284E-02 ppm1 8.210 ppm2 2.343 CV 1
ASSI { 63}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 42 and name HB1 ))
2.600 2.600 3.400 peak 63 spectrum 1 weight 0.10000E+01 volume 0.16047E-02 ppm1 7.839 ppm2 1.179 CV 1
ASSI { 64}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB2 ))
3.200 1.300 1.300 peak 64 spectrum 1 weight 0.10000E+01 volume 0.15221E-02 ppm1 8.207 ppm2 1.858 CV 1
ASSI { 65}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HD2 ))
3.100 1.200 1.200 peak 65 spectrum 1 weight 0.10000E+01 volume 0.14394E-02 ppm1 7.895 ppm2 3.921 CV 1
ASSI { 66}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HG1 ))
4.300 2.300 1.700 peak 66 spectrum 1 weight 0.10000E+01 volume 0.13364E-02 ppm1 8.696 ppm2 2.092 CV 1
ASSI { 67}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 42 and name HB1 ))
4.300 2.300 1.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.12639E-02 ppm1 10.348 ppm2 1.179 CV 1
ASSI { 69}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HB2 ))
4.400 2.500 1.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.10158E-02 ppm1 8.216 ppm2 1.878 CV 1
ASSI { 70}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB1 ))
3.700 1.700 1.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.98884E-03 ppm1 8.231 ppm2 1.789 CV 1
ASSI { 71}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 15 and name HA ))
2.800 2.800 3.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.94665E-03 ppm1 7.843 ppm2 4.516 CV 1
ASSI { 72}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB ))
3.400 1.500 1.500 peak 72 spectrum 1 weight 0.10000E+01 volume 0.94493E-03 ppm1 8.696 ppm2 4.247 CV 1
ASSI { 73}
(( segid " " and resid 31 and name HD21))
(( segid " " and resid 31 and name HB2 ))
3.000 1.200 1.200 peak 73 spectrum 1 weight 0.10000E+01 volume 0.89431E-03 ppm1 6.629 ppm2 0.031 CV 1
ASSI { 75}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB2 ))
3.200 1.300 1.300 peak 75 spectrum 1 weight 0.10000E+01 volume 0.83697E-03 ppm1 8.489 ppm2 3.602 CV 1
ASSI { 76}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HB1 ))
3.300 1.300 1.300 peak 76 spectrum 1 weight 0.10000E+01 volume 0.76947E-03 ppm1 8.166 ppm2 2.282 CV 1
ASSI { 77}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB ))
3.500 1.500 1.500 peak 77 spectrum 1 weight 0.10000E+01 volume 0.74754E-03 ppm1 8.184 ppm2 2.092 CV 1
ASSI { 82}
(( segid " " and resid 39 and name HE1 ))
(( segid " " and resid 110 and name HA ))
2.500 1.700 1.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.69353E-03 ppm1 9.985 ppm2 4.382 CV 1
ASSI { 84}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB2 ))
4.000 2.000 2.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.64968E-03 ppm1 6.998 ppm2 1.713 CV 1
ASSI { 86}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HG1 ))
3.500 1.500 1.500 peak 86 spectrum 1 weight 0.10000E+01 volume 0.63614E-03 ppm1 8.880 ppm2 1.615 CV 1
ASSI { 87}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB1 ))
3.200 1.300 1.300 peak 87 spectrum 1 weight 0.10000E+01 volume 0.62436E-03 ppm1 8.408 ppm2 2.649 CV 1
ASSI { 88}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HD1 ))
3.800 1.800 1.800 peak 88 spectrum 1 weight 0.10000E+01 volume 0.59733E-03 ppm1 8.114 ppm2 7.337 CV 1
ASSI { 93}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 27 and name HA ))
3.800 1.800 1.800 peak 93 spectrum 1 weight 0.10000E+01 volume 0.57541E-03 ppm1 9.612 ppm2 4.918 CV 1
ASSI { 94}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB1 ))
3.900 1.900 1.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.57036E-03 ppm1 9.611 ppm2 1.669 CV 1
ASSI { 96}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 28 and name HD% )
3.300 1.300 1.300 peak 96 spectrum 1 weight 0.10000E+01 volume 0.56359E-03 ppm1 8.892 ppm2 6.813 CV 1
ASSI { 97}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HA ))
3.600 1.600 1.600 peak 97 spectrum 1 weight 0.10000E+01 volume 0.54671E-03 ppm1 7.000 ppm2 4.418 CV 1
ASSI { 98}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.700 1.700 1.700 peak 98 spectrum 1 weight 0.10000E+01 volume 0.54166E-03 ppm1 8.486 ppm2 1.821 CV 1
ASSI { 99}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HA ))
4.300 2.300 1.700 peak 99 spectrum 1 weight 0.10000E+01 volume 0.52984E-03 ppm1 8.113 ppm2 4.488 CV 1
ASSI { 102}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 18 and name HG2%)
4.300 2.300 1.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.51635E-03 ppm1 8.696 ppm2 1.311 CV 1
ASSI { 105}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HG1 ))
4.200 2.200 1.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.49779E-03 ppm1 8.408 ppm2 1.377 CV 1
ASSI { 106}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HG1 ))
3.800 1.800 1.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.49273E-03 ppm1 7.909 ppm2 1.180 CV 1
ASSI { 111}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB2 ))
4.500 2.500 1.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.44379E-03 ppm1 7.840 ppm2 2.757 CV 1
ASSI { 115}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG2 ))
3.900 1.900 1.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.41173E-03 ppm1 8.486 ppm2 2.365 CV 1
ASSI { 117}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HA ))
3.800 1.800 1.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.37967E-03 ppm1 8.318 ppm2 3.660 CV 1
ASSI { 118}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HD2 ))
5.100 3.300 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.34761E-03 ppm1 8.217 ppm2 2.340 CV 1
ASSI { 119}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA ))
3.800 1.800 1.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.34423E-03 ppm1 8.167 ppm2 4.440 CV 1
ASSI { 120}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HN ))
4.800 2.900 1.200 peak 120 spectrum 1 weight 0.10000E+01 volume 0.34255E-03 ppm1 8.211 ppm2 8.644 CV 1
ASSI { 122}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 13 and name HB% )
4.200 2.200 1.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.32905E-03 ppm1 8.231 ppm2 1.416 CV 1
ASSI { 125}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB1 ))
5.300 3.600 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.31555E-03 ppm1 8.543 ppm2 1.804 CV 1
ASSI { 129}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HB1 ))
5.200 3.400 0.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.30205E-03 ppm1 8.318 ppm2 2.038 CV 1
ASSI { 131}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB2 ))
5.200 3.300 0.800 peak 131 spectrum 1 weight 0.10000E+01 volume 0.29361E-03 ppm1 9.401 ppm2 3.077 CV 1
ASSI { 134}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
3.800 1.800 1.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.27674E-03 ppm1 8.412 ppm2 5.188 CV 1
ASSI { 135}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB1 ))
4.400 2.400 1.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.26830E-03 ppm1 8.216 ppm2 1.796 CV 1
ASSI { 137}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 109 and name HG1 ))
3.500 1.500 1.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.26492E-03 ppm1 9.442 ppm2 1.819 CV 1
ASSI { 138}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HG1 ))
5.700 4.000 0.300 peak 138 spectrum 1 weight 0.10000E+01 volume 0.25480E-03 ppm1 8.325 ppm2 1.644 CV 1
ASSI { 144}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB2 ))
5.100 3.300 0.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.24130E-03 ppm1 8.489 ppm2 1.716 CV 1
ASSI { 145}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HG1 ))
4.600 2.600 1.400 peak 145 spectrum 1 weight 0.10000E+01 volume 0.22442E-03 ppm1 8.213 ppm2 1.437 CV 1
ASSI { 148}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 34 and name HG2%)
5.700 4.000 0.300 peak 148 spectrum 1 weight 0.10000E+01 volume 0.22105E-03 ppm1 8.145 ppm2 0.959 CV 1
ASSI { 151}
(( segid " " and resid 36 and name HE22))
(( segid " " and resid 36 and name HG1 ))
5.400 3.700 0.600 peak 151 spectrum 1 weight 0.10000E+01 volume 0.21262E-03 ppm1 6.964 ppm2 2.318 CV 1
ASSI { 152}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA2 ))
4.400 2.400 1.600 peak 152 spectrum 1 weight 0.10000E+01 volume 0.21093E-03 ppm1 7.791 ppm2 3.618 CV 1
ASSI { 154}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HB1 ))
5.500 3.700 0.500 peak 154 spectrum 1 weight 0.10000E+01 volume 0.20924E-03 ppm1 8.166 ppm2 2.668 CV 1
ASSI { 158}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
5.100 3.300 0.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.18055E-03 ppm1 7.895 ppm2 4.404 CV 1
ASSI { 160}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 31 and name HB2 ))
5.900 4.400 0.100 peak 160 spectrum 1 weight 0.10000E+01 volume 0.17718E-03 ppm1 6.998 ppm2 0.033 CV 1
ASSI { 161}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HB2 ))
5.700 4.000 0.300 peak 161 spectrum 1 weight 0.10000E+01 volume 0.17718E-03 ppm1 8.208 ppm2 3.168 CV 1
ASSI { 164}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 10 and name HG1%)
5.100 3.200 0.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.16840E-03 ppm1 8.461 ppm2 0.912 CV 1
ASSI { 167}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HA ))
6.000 4.900 0.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.16284E-03 ppm1 7.751 ppm2 3.622 CV 1
ASSI { 169}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 31 and name HA ))
5.300 3.600 0.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.15929E-03 ppm1 9.401 ppm2 4.451 CV 1
ASSI { 170}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 17 and name HE3 ))
4.600 2.700 1.400 peak 170 spectrum 1 weight 0.10000E+01 volume 0.15389E-03 ppm1 9.455 ppm2 7.363 CV 1
ASSI { 171}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HE3 ))
4.900 3.000 1.100 peak 171 spectrum 1 weight 0.10000E+01 volume 0.15136E-03 ppm1 9.402 ppm2 7.360 CV 1
ASSI { 173}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 15 and name HA ))
5.300 3.600 0.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.15086E-03 ppm1 10.349 ppm2 4.485 CV 1
ASSI { 174}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HN ))
5.500 3.700 0.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.14967E-03 ppm1 9.408 ppm2 8.676 CV 1
ASSI { 176}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 20 and name HD2 ))
4.700 2.800 1.300 peak 176 spectrum 1 weight 0.10000E+01 volume 0.14934E-03 ppm1 9.453 ppm2 6.662 CV 1
ASSI { 177}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 34 and name HG2%)
5.200 3.400 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.14782E-03 ppm1 7.909 ppm2 0.941 CV 1
ASSI { 179}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HB1 ))
6.000 5.300 0.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.14630E-03 ppm1 8.326 ppm2 1.947 CV 1
ASSI { 183}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 20 and name HB1 ))
5.300 3.500 0.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.13347E-03 ppm1 8.890 ppm2 2.659 CV 1
ASSI { 186}
(( segid " " and resid 31 and name HD21))
(( segid " " and resid 33 and name HB1 ))
5.900 4.400 0.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.13196E-03 ppm1 6.631 ppm2 2.042 CV 1
ASSI { 187}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB2 ))
6.000 4.900 0.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.12639E-03 ppm1 8.407 ppm2 1.146 CV 1
ASSI { 190}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 31 and name HD21))
5.100 3.200 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.12014E-03 ppm1 10.350 ppm2 6.618 CV 1
ASSI { 194}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 30 and name HB1 ))
4.900 3.000 1.100 peak 194 spectrum 1 weight 0.10000E+01 volume 0.11171E-03 ppm1 9.403 ppm2 2.668 CV 1
ASSI { 197}
(( segid " " and resid 17 and name HE1 ))
(( segid " " and resid 17 and name HH2 ))
6.000 5.000 0.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.10816E-03 ppm1 10.349 ppm2 7.020 CV 1
ASSI { 198}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB1 ))
5.500 3.800 0.500 peak 198 spectrum 1 weight 0.10000E+01 volume 0.10496E-03 ppm1 8.184 ppm2 3.838 CV 1
ASSI { 199}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HA ))
4.200 2.200 1.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.10462E-03 ppm1 8.209 ppm2 5.117 CV 1
ASSI { 204}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 31 and name HB2 ))
6.000 4.400 0.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.92301E-04 ppm1 7.750 ppm2 0.014 CV 1
ASSI { 207}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
6.000 4.900 0.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.85046E-04 ppm1 8.114 ppm2 1.821 CV 1
ASSI { 208}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
5.800 4.200 0.200 peak 208 spectrum 1 weight 0.10000E+01 volume 0.80322E-04 ppm1 9.612 ppm2 8.386 CV 1
ASSI { 214}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 32 and name HG2%)
5.700 4.100 0.300 peak 214 spectrum 1 weight 0.10000E+01 volume 0.68343E-04 ppm1 8.146 ppm2 1.368 CV 1
ASSI { 215}
(( segid " " and resid 31 and name HD21))
(( segid " " and resid 34 and name HB ))
5.900 4.300 0.100 peak 215 spectrum 1 weight 0.10000E+01 volume 0.66655E-04 ppm1 6.629 ppm2 4.213 CV 1
ASSI { 217}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 30 and name HA ))
5.600 4.000 0.400 peak 217 spectrum 1 weight 0.10000E+01 volume 0.66317E-04 ppm1 9.441 ppm2 5.735 CV 1
ASSI { 222}
(( segid " " and resid 31 and name HN ))
( segid " " and resid 38 and name HG2%)
6.000 4.700 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.56864E-04 ppm1 8.154 ppm2 1.193 CV 1
ASSI { 224}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 17 and name HE3 ))
5.500 3.800 0.500 peak 224 spectrum 1 weight 0.10000E+01 volume 0.48598E-04 ppm1 8.165 ppm2 7.394 CV 1
ASSI { 225}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HB1 ))
5.800 4.200 0.200 peak 225 spectrum 1 weight 0.10000E+01 volume 0.47754E-04 ppm1 8.210 ppm2 3.641 CV 1
ASSI { 232}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 36 and name HB2 ))
6.000 6.000 0.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.39992E-04 ppm1 8.165 ppm2 1.719 CV 1
ASSI { 233}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 37 and name HB1 ))
6.000 6.000 0.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.39654E-04 ppm1 8.165 ppm2 3.616 CV 1
OR { 233}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 37 and name HB2 ))
ASSI { 234}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB2 ))
6.000 6.000 0.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.39317E-04 ppm1 8.318 ppm2 0.024 CV 1
ASSI { 237}
(( segid " " and resid 39 and name HE1 ))
(( segid " " and resid 110 and name HD2 ))
3.500 5.500 1.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.33580E-04 ppm1 9.987 ppm2 3.628 CV 1
ASSI { 238}
(( segid " " and resid 31 and name HD21))
(( segid " " and resid 16 and name HB2 ))
6.000 5.500 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.31386E-04 ppm1 6.629 ppm2 1.811 CV 1
ASSI { 241}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 36 and name HB1 ))
6.000 5.000 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.26999E-04 ppm1 8.166 ppm2 1.997 CV 1
ASSI { 242}
(( segid " " and resid 39 and name HE1 ))
(( segid " " and resid 39 and name HB2 ))
6.000 6.000 0.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.24299E-04 ppm1 9.987 ppm2 3.183 CV 1
ASSI { 246}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB ))
6.000 6.000 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.92978E-05 ppm1 9.403 ppm2 4.276 CV 1
!!!!!!!!!
ASSI { 14}
(( segid " " and resid 26 and name HG1 ))
(( segid " " and resid 26 and name HN ))
4.700 2.800 1.300 peak 14 spectrum 1 weight 0.10000E+01 volume 0.19775E-03 ppm1 1.675 ppm2 7.823 CV 1
ASSI { 15}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HN ))
2.100 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.58768E-02 ppm1 4.440 ppm2 8.183 CV 1
ASSI { 24}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HN ))
1.900 0.500 0.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.10166E-01 ppm1 3.653 ppm2 7.017 CV 1
ASSI { 25}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.100 0.600 0.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.34397E-02 ppm1 4.459 ppm2 8.237 CV 1
ASSI { 28}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HN ))
2.300 0.700 0.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.23535E-02 ppm1 4.550 ppm2 8.573 CV 1
ASSI { 34}
(( segid " " and resid 11 and name HA1 ))
(( segid " " and resid 12 and name HN ))
3.000 1.100 1.100 peak 34 spectrum 1 weight 0.10000E+01 volume 0.19496E-02 ppm1 3.978 ppm2 8.196 CV 1
ASSI { 37}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.700 0.900 0.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.16015E-02 ppm1 4.334 ppm2 8.251 CV 1
ASSI { 38}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
2.100 0.600 0.600 peak 38 spectrum 1 weight 0.10000E+01 volume 0.33979E-02 ppm1 3.652 ppm2 7.941 CV 1
ASSI { 47}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HN ))
2.900 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.10361E-02 ppm1 2.061 ppm2 8.165 CV 1
ASSI { 48}
(( segid " " and resid 11 and name HA1 ))
(( segid " " and resid 12 and name HN ))
2.400 0.700 0.700 peak 48 spectrum 1 weight 0.10000E+01 volume 0.91492E-02 ppm1 4.006 ppm2 8.225 CV 1
ASSI { 49}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HN ))
3.000 1.100 1.100 peak 49 spectrum 1 weight 0.10000E+01 volume 0.16154E-02 ppm1 1.865 ppm2 8.245 CV 1
ASSI { 55}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
2.900 1.000 1.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.12561E-02 ppm1 4.343 ppm2 8.333 CV 1
ASSI { 56}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HE3 ))
2.300 0.700 0.700 peak 56 spectrum 1 weight 0.10000E+01 volume 0.20332E-02 ppm1 3.190 ppm2 7.396 CV 1
ASSI { 62}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HN ))
2.900 1.100 1.100 peak 62 spectrum 1 weight 0.10000E+01 volume 0.17407E-02 ppm1 1.833 ppm2 8.696 CV 1
ASSI { 72}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
2.900 1.000 1.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.11907E-02 ppm1 4.525 ppm2 8.317 CV 1
ASSI { 76}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
2.900 1.000 1.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.12074E-02 ppm1 4.322 ppm2 8.406 CV 1
ASSI { 77}
(( segid " " and resid 30 and name HB1 ))
(( segid " " and resid 30 and name HN ))
2.500 0.800 0.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 2.700 ppm2 9.468 CV 1
ASSI { 86}
(( segid " " and resid 41 and name HB1 ))
(( segid " " and resid 41 and name HN ))
3.200 1.200 1.200 peak 86 spectrum 1 weight 0.10000E+01 volume 0.60299E-03 ppm1 1.390 ppm2 8.242 CV 1
ASSI { 89}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HN ))
3.400 1.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.12589E-02 ppm1 1.842 ppm2 8.568 CV 1
ASSI { 90}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 40 and name HN ))
2.400 0.700 0.700 peak 90 spectrum 1 weight 0.10000E+01 volume 0.11893E-02 ppm1 5.133 ppm2 8.122 CV 1
ASSI { 93}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HE3 ))
2.800 1.000 1.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.10890E-02 ppm1 3.690 ppm2 8.127 CV 1
ASSI { 97}
(( segid " " and resid 36 and name HG1 ))
(( segid " " and resid 36 and name HE22))
3.100 1.200 1.200 peak 97 spectrum 1 weight 0.10000E+01 volume 0.12060E-02 ppm1 2.308 ppm2 7.019 CV 1
ASSI { 105}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
4.200 2.200 1.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.10862E-03 ppm1 4.290 ppm2 8.165 CV 1
ASSI { 111}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
3.100 1.200 1.200 peak 111 spectrum 1 weight 0.10000E+01 volume 0.80908E-03 ppm1 4.369 ppm2 8.434 CV 1
ASSI { 140}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
2.600 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 4.968 ppm2 9.638 CV 1
ASSI { 141}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 31 and name HN ))
3.000 1.100 1.100 peak 141 spectrum 1 weight 0.10000E+01 volume 0.66706E-03 ppm1 2.306 ppm2 8.199 CV 1
ASSI { 150}
(( segid " " and resid 17 and name HH2 ))
(( segid " " and resid 17 and name HE3 ))
4.000 2.000 2.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.59602E-03 ppm1 7.013 ppm2 7.385 CV 1
ASSI { 153}
(( segid " " and resid 35 and name HG1 ))
(( segid " " and resid 35 and name HN ))
2.800 1.000 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.14344E-02 ppm1 1.216 ppm2 7.941 CV 1
ASSI { 154}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HN ))
4.000 2.000 2.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.65033E-03 ppm1 3.184 ppm2 8.144 CV 1
ASSI { 157}
(( segid " " and resid 36 and name HB1 ))
(( segid " " and resid 36 and name HN ))
3.800 1.800 1.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.30219E-03 ppm1 2.062 ppm2 7.022 CV 1
ASSI { 158}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
3.600 1.600 1.600 peak 158 spectrum 1 weight 0.10000E+01 volume 0.34258E-03 ppm1 1.796 ppm2 8.253 CV 1
ASSI { 175}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HN ))
3.700 1.700 1.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.53059E-03 ppm1 2.051 ppm2 8.575 CV 1
ASSI { 176}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
3.000 1.200 1.200 peak 176 spectrum 1 weight 0.10000E+01 volume 0.45399E-03 ppm1 4.509 ppm2 8.689 CV 1
ASSI { 189}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
2.900 1.100 1.100 peak 189 spectrum 1 weight 0.10000E+01 volume 0.10416E-02 ppm1 8.148 ppm2 8.564 CV 1
ASSI { 192}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
3.400 1.500 1.500 peak 192 spectrum 1 weight 0.10000E+01 volume 0.43309E-03 ppm1 4.450 ppm2 7.023 CV 1
ASSI { 195}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HD1 ))
3.900 1.900 1.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.85925E-03 ppm1 3.688 ppm2 7.400 CV 1
ASSI { 210}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
2.600 0.800 0.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.14901E-02 ppm1 5.727 ppm2 9.460 CV 1
ASSI { 211}
(( segid " " and resid 30 and name HD% ))
(( segid " " and resid 30 and name HN ))
3.600 1.600 1.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.13244E-02 ppm1 7.004 ppm2 9.449 CV 1
ASSI { 215}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HN ))
4.400 2.400 1.600 peak 215 spectrum 1 weight 0.10000E+01 volume 0.29662E-03 ppm1 8.213 ppm2 8.492 CV 1
ASSI { 221}
(( segid " " and resid 32 and name HG2%))
(( segid " " and resid 32 and name HN ))
3.500 1.600 1.600 peak 221 spectrum 1 weight 0.10000E+01 volume 0.19496E-03 ppm1 1.403 ppm2 8.328 CV 1
ASSI { 250}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 39 and name HE3 ))
4.000 2.000 2.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.29105E-03 ppm1 7.353 ppm2 8.149 CV 1
ASSI { 263}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HN ))
3.400 1.400 1.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.46652E-03 ppm1 7.942 ppm2 8.166 CV 1
ASSI { 282}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HN ))
4.700 2.700 1.300 peak 282 spectrum 1 weight 0.10000E+01 volume 0.15597E-03 ppm1 2.062 ppm2 7.938 CV 1
ASSI { 290}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HN ))
5.800 4.200 0.200 peak 290 spectrum 1 weight 0.10000E+01 volume 0.38853E-04 ppm1 2.607 ppm2 8.196 CV 1
ASSI { 295}
(( segid " " and resid 10 and name HG1%))
(( segid " " and resid 10 and name HN ))
3.900 1.900 1.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.24788E-03 ppm1 0.956 ppm2 8.202 CV 1
ASSI { 312}
(( segid " " and resid 17 and name HZ3 ))
(( segid " " and resid 17 and name HE3 ))
2.900 1.100 1.100 peak 312 spectrum 1 weight 0.10000E+01 volume 0.47209E-03 ppm1 6.922 ppm2 7.362 CV 1
ASSI { 336}
(( segid " " and resid 7 and name HG1 ))
(( segid " " and resid 7 and name HE ))
4.100 2.100 1.900 peak 336 spectrum 1 weight 0.10000E+01 volume 0.14065E-03 ppm1 1.675 ppm2 7.210 CV 1
ASSI { 342}
(( segid " " and resid 26 and name HG1 ))
(( segid " " and resid 25 and name HN ))
5.200 3.400 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.13745E-03 ppm1 1.705 ppm2 8.331 CV 1
ASSI { 357}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HN ))
4.900 3.000 1.100 peak 357 spectrum 1 weight 0.10000E+01 volume 0.10653E-03 ppm1 8.691 ppm2 9.433 CV 1
ASSI { 379}
(( segid " " and resid 21 and name HG1 ))
(( segid " " and resid 21 and name HA ))
3.900 1.900 1.900 peak 379 spectrum 1 weight 0.10000E+01 volume 0.10375E-03 ppm1 1.404 ppm2 5.244 CV 1
ASSI { 390}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HN ))
3.800 1.800 1.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.14901E-03 ppm1 3.681 ppm2 8.506 CV 1
ASSI { 395}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HA ))
5.000 3.100 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.10640E-03 ppm1 4.516 ppm2 5.245 CV 1
ASSI { 396}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 17 and name HE1 ))
4.400 2.400 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.29802E-03 ppm1 4.536 ppm2 10.408 CV 1
ASSI { 397}
(( segid " " and resid 8 and name HB% ))
(( segid " " and resid 6 and name HN ))
4.800 2.900 1.200 peak 397 spectrum 1 weight 0.10000E+01 volume 0.52781E-04 ppm1 1.404 ppm2 8.563 CV 1
ASSI { 403}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 9 and name HN ))
5.200 3.400 0.800 peak 403 spectrum 1 weight 0.10000E+01 volume 0.94973E-04 ppm1 1.849 ppm2 8.332 CV 1
ASSI { 431}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HE1 ))
5.100 3.200 0.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.13160E-03 ppm1 3.187 ppm2 10.017 CV 1
ASSI { 482}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HN ))
6.000 5.100 0.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.29244E-04 ppm1 8.120 ppm2 8.671 CV 1
ASSI { 484}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 14 and name HN ))
5.500 3.800 0.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.54449E-04 ppm1 1.701 ppm2 8.249 CV 1
ASSI { 496}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
6.000 4.800 0.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.37879E-04 ppm1 8.197 ppm2 9.447 CV 1
ASSI { 529}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HN ))
6.000 4.500 0.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.23396E-04 ppm1 8.232 ppm2 8.421 CV 1
ASSI { 540}
(( segid " " and resid 6 and name HD1 ))
(( segid " " and resid 6 and name HE ))
5.200 3.400 0.800 peak 540 spectrum 1 weight 0.10000E+01 volume 0.22003E-04 ppm1 3.206 ppm2 7.232 CV 1
ASSI { 547}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HE1 ))
6.000 6.000 0.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.47766E-04 ppm1 3.672 ppm2 10.024 CV 1
ASSI { 555}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 9 and name HN ))
5.500 3.800 0.500 peak 555 spectrum 1 weight 0.10000E+01 volume 0.10862E-03 ppm1 4.194 ppm2 8.334 CV 1
ASSI { 557}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 20 and name HN ))
5.200 3.400 0.800 peak 557 spectrum 1 weight 0.10000E+01 volume 0.67403E-04 ppm1 5.249 ppm2 8.578 CV 1
ASSI { 568}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 7 and name HN ))
3.300 3.300 2.700 peak 568 spectrum 1 weight 0.10000E+01 volume 0.34119E-03 ppm1 1.852 ppm2 8.423 CV 1
ASSI { 584}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 39 and name HE3 ))
6.000 6.000 0.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.48741E-05 ppm1 7.392 ppm2 8.133 CV 1
ASSI { 586}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HN ))
5.200 3.400 0.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.74365E-04 ppm1 0.793 ppm2 8.198 CV 1
ASSI { 31}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 21 and name HE1 ))
2.600 0.900 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.35573E-02 ppm1 1.598 ppm2 2.954 CV 1
ASSI { 43}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB2 ))
3.400 1.500 1.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.11501E-02 ppm1 5.377 ppm2 2.713 CV 1
ASSI { 49}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HZ3 ))
4.300 2.300 1.700 peak 49 spectrum 1 weight 0.10000E+01 volume 0.55010E-03 ppm1 5.142 ppm2 6.867 CV 1
ASSI { 92}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HG2 ))
3.800 1.800 1.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.10164E-02 ppm1 2.914 ppm2 0.807 CV 1
ASSI { 107}
(( segid " " and resid 42 and name HD2 ))
(( segid " " and resid 42 and name HG1 ))
2.800 1.000 1.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.34592E-02 ppm1 2.321 ppm2 0.790 CV 1
ASSI { 111}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB% ))
2.500 0.800 0.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.50907E-02 ppm1 4.312 ppm2 1.401 CV 1
ASSI { 161}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HE3 ))
2.400 0.700 0.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.42081E-02 ppm1 3.173 ppm2 7.361 CV 1
ASSI { 295}
(( segid " " and resid 28 and name HD% ))
(( segid " " and resid 28 and name HA ))
3.200 1.300 1.300 peak 295 spectrum 1 weight 0.10000E+01 volume 0.18633E-02 ppm1 6.841 ppm2 4.972 CV 1
ASSI { 300}
(( segid " " and resid 28 and name HD% ))
(( segid " " and resid 28 and name HB1 ))
2.300 0.700 0.700 peak 300 spectrum 1 weight 0.10000E+01 volume 0.56257E-02 ppm1 6.841 ppm2 2.708 CV 1
ASSI { 312}
(( segid " " and resid 39 and name HD1 ))
(( segid " " and resid 39 and name HB2 ))
2.800 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.21130E-02 ppm1 7.363 ppm2 3.163 CV 1
ASSI { 341}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HB1 ))
2.900 1.000 1.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.28797E-02 ppm1 6.676 ppm2 2.680 CV 1
ASSI { 17}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HD% ))
2.200 0.600 0.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.10479E-01 ppm1 9.013 ppm2 6.813 CV 1
ASSI { 31}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HG1 ))
2.300 0.700 0.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.65301E-02 ppm1 6.998 ppm2 2.298 CV 1
ASSI { 36}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HB2 ))
2.400 0.700 0.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.52140E-02 ppm1 9.013 ppm2 2.683 CV 1
ASSI { 39}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB% ))
2.800 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.48766E-02 ppm1 8.397 ppm2 1.387 CV 1
ASSI { 54}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA ))
3.000 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.24467E-02 ppm1 8.150 ppm2 4.270 CV 1
ASSI { 59}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HN ))
3.700 1.700 1.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.19405E-02 ppm1 8.649 ppm2 8.181 CV 1
ASSI { 68}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
3.400 1.400 1.400 peak 68 spectrum 1 weight 0.10000E+01 volume 0.10395E-02 ppm1 8.232 ppm2 4.292 CV 1
ASSI { 74}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HG2%))
4.000 2.000 2.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.89264E-03 ppm1 8.890 ppm2 0.904 CV 1
ASSI { 89}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA ))
3.500 1.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.59567E-03 ppm1 7.794 ppm2 4.484 CV 1
ASSI { 90}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB1 ))
3.600 1.600 1.600 peak 90 spectrum 1 weight 0.10000E+01 volume 0.59395E-03 ppm1 6.998 ppm2 2.027 CV 1
ASSI { 91}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
3.700 1.700 1.700 peak 91 spectrum 1 weight 0.10000E+01 volume 0.58218E-03 ppm1 8.414 ppm2 4.316 CV 1
ASSI { 95}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB2 ))
4.200 2.200 1.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.57036E-03 ppm1 7.910 ppm2 2.058 CV 1
ASSI { 156}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HD2 ))
4.800 2.900 1.200 peak 156 spectrum 1 weight 0.10000E+01 volume 0.19405E-03 ppm1 8.541 ppm2 6.705 CV 1
ASSI { 165}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 7 and name HA ))
5.100 3.300 0.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.16604E-03 ppm1 8.528 ppm2 4.349 CV 1
ASSI { 180}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HN ))
5.500 3.800 0.500 peak 180 spectrum 1 weight 0.10000E+01 volume 0.14140E-03 ppm1 8.882 ppm2 7.756 CV 1
ASSI { 227}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HD21))
6.000 5.500 0.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.46404E-04 ppm1 8.165 ppm2 6.606 CV 1
ASSI { 243}
(( segid " " and resid 31 and name HD21))
(( segid " " and resid 31 and name HB1 ))
6.000 5.500 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.21599E-04 ppm1 6.631 ppm2 2.305 CV 1
! Ambiguous Distance Restraints
ASSI { 13}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 10 and name HA ))
2.400 2.400 3.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.69363E-02 ppm1 0.962 ppm2 4.193 CV 1
OR { 13}
( segid " " and resid 34 and name HG2%)
(( segid " " and resid 38 and name HB ))
ASSI { 110}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 107 and name HG1 ))
3.000 3.000 3.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.30847E-02 ppm1 4.457 ppm2 1.886 CV 1
OR { 110}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 106 and name HB2 ))
ASSI { 118}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 39 and name HZ3 ))
5.000 3.100 1.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.82555E-04 ppm1 4.592 ppm2 6.875 CV 1
OR { 118}
(( segid " " and resid 22 and name HB1 ))
( segid " " and resid 28 and name HD% )
ASSI { 121}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 29 and name HD% )
3.000 1.100 1.100 peak 121 spectrum 1 weight 0.10000E+01 volume 0.23002E-02 ppm1 4.987 ppm2 6.851 CV 1
OR { 121}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 28 and name HD% )
ASSI { 127}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 39 and name HB1 ))
5.000 3.100 1.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.28351E-03 ppm1 2.703 ppm2 3.649 CV 1
OR { 127}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 37 and name HB1 ))
ASSI { 134}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 109 and name HD1 ))
4.300 2.300 1.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.24517E-03 ppm1 2.391 ppm2 3.706 CV 1
OR { 134}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 39 and name HB1 ))
ASSI { 136}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 109 and name HB2 ))
4.500 2.500 1.500 peak 136 spectrum 1 weight 0.10000E+01 volume 0.56167E-03 ppm1 2.393 ppm2 1.907 CV 1
OR { 136}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 26 and name HB1 ))
ASSI { 142}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 33 and name HB1 ))
3.900 1.900 1.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.66064E-03 ppm1 2.304 ppm2 2.070 CV 1
OR { 142}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 35 and name HB2 ))
OR { 142}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 35 and name HB1 ))
ASSI { 211}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 15 and name HA ))
3.700 3.700 2.300 peak 211 spectrum 1 weight 0.10000E+01 volume 0.31917E-03 ppm1 1.384 ppm2 4.494 CV 1
OR { 211}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 12 and name HA ))
ASSI { 230}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 36 and name HG1 ))
3.800 1.800 1.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.29153E-03 ppm1 1.197 ppm2 2.274 CV 1
OR { 230}
( segid " " and resid 38 and name HG2%)
(( segid " " and resid 31 and name HB1 ))
ASSI { 267}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 26 and name HG1 ))
4.400 2.400 1.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.38336E-03 ppm1 4.315 ppm2 1.622 CV 1
OR { 267}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 21 and name HD1 ))
ASSI { 269}
(( segid " " and resid 25 and name HA2 ))
(( segid " " and resid 21 and name HB1 ))
3.400 1.400 1.400 peak 269 spectrum 1 weight 0.10000E+01 volume 0.79614E-03 ppm1 3.656 ppm2 1.658 CV 1
OR { 269}
(( segid " " and resid 25 and name HA2 ))
(( segid " " and resid 26 and name HG1 ))
ASSI { 296}
( segid " " and resid 29 and name HD% )
(( segid " " and resid 19 and name HA ))
3.400 1.500 1.500 peak 296 spectrum 1 weight 0.10000E+01 volume 0.92720E-03 ppm1 6.842 ppm2 4.593 CV 1
OR { 296}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 22 and name HB1 ))
ASSI { 301}
( segid " " and resid 29 and name HD% )
(( segid " " and resid 19 and name HG1 ))
5.700 4.000 0.300 peak 301 spectrum 1 weight 0.10000E+01 volume 0.84252E-04 ppm1 6.845 ppm2 2.105 CV 1
OR { 301}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 109 and name HB1 ))
OR { 301}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 106 and name HB1 ))
ASSI { 302}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 109 and name HG1 ))
3.300 1.300 1.300 peak 302 spectrum 1 weight 0.10000E+01 volume 0.84429E-03 ppm1 6.842 ppm2 1.855 CV 1
OR { 302}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 106 and name HB2 ))
OR { 302}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 26 and name HB2 ))
OR { 302}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 109 and name HB2 ))
ASSI { 303}
( segid " " and resid 28 and name HD% )
(( segid " " and resid 20 and name HB2 ))
3.400 1.400 1.400 peak 303 spectrum 1 weight 0.10000E+01 volume 0.10877E-02 ppm1 6.844 ppm2 1.187 CV 1
OR { 303}
( segid " " and resid 29 and name HD% )
( segid " " and resid 38 and name HG2%)
OR { 303}
( segid " " and resid 28 and name HD% )
( segid " " and resid 38 and name HG2%)
ASSI { 304}
( segid " " and resid 29 and name HD% )
( segid " " and resid 27 and name HG2%)
5.100 3.200 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.13195E-03 ppm1 6.843 ppm2 0.884 CV 1
OR { 304}
( segid " " and resid 28 and name HD% )
( segid " " and resid 27 and name HG2%)
OR { 304}
( segid " " and resid 28 and name HD% )
( segid " " and resid 108 and name HD1%)
ASSI { 313}
(( segid " " and resid 39 and name HD1 ))
(( segid " " and resid 6 and name HB1 ))
4.900 3.000 1.100 peak 313 spectrum 1 weight 0.10000E+01 volume 0.14354E-03 ppm1 7.374 ppm2 1.836 CV 1
OR { 313}
(( segid " " and resid 39 and name HD1 ))
(( segid " " and resid 109 and name HG1 ))
ASSI { 340}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 19 and name HA ))
4.600 2.600 1.400 peak 340 spectrum 1 weight 0.10000E+01 volume 0.18098E-03 ppm1 6.675 ppm2 4.609 CV 1
OR { 340}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 105 and name HA ))
ASSI { 349}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 20 and name HB1 ))
2.700 0.900 0.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.30580E-02 ppm1 6.244 ppm2 2.680 CV 1
OR { 349}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 28 and name HB1 ))
OR { 349}
( segid " " and resid 28 and name HE% )
(( segid " " and resid 30 and name HB1 ))
ASSI { 352}
( segid " " and resid 30 and name HE% )
(( segid " " and resid 32 and name HA ))
2.300 2.300 3.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.76851E-02 ppm1 6.581 ppm2 3.650 CV 1
OR { 352}
( segid " " and resid 30 and name HE% )
(( segid " " and resid 35 and name HA ))
ASSI { 353}
( segid " " and resid 30 and name HE% )
(( segid " " and resid 35 and name HB2 ))
3.700 1.700 1.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.18366E-02 ppm1 6.581 ppm2 2.027 CV 1
OR { 353}
( segid " " and resid 30 and name HE% )
(( segid " " and resid 36 and name HB1 ))
ASSI { 363}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 109 and name HA ))
5.300 3.500 0.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.24696E-03 ppm1 7.349 ppm2 4.621 CV 1
OR { 363}
(( segid " " and resid 39 and name HZ2 ))
(( segid " " and resid 22 and name HB1 ))
ASSI { 85}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 17 and name HZ3 ))
3.600 1.600 1.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.64629E-03 ppm1 8.166 ppm2 6.978 CV 1
OR { 85}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 36 and name HN ))
OR { 85}
(( segid " " and resid 31 and name HN ))
( segid " " and resid 30 and name HD% )
ASSI { 116}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 109 and name HG1 ))
4.700 2.800 1.300 peak 116 spectrum 1 weight 0.10000E+01 volume 0.39317E-03 ppm1 8.649 ppm2 1.822 CV 1
OR { 116}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HB2 ))
ASSI { 157}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA ))
4.500 2.500 1.500 peak 157 spectrum 1 weight 0.10000E+01 volume 0.19068E-03 ppm1 8.146 ppm2 3.640 CV 1
OR { 157}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 35 and name HA ))
ASSI { 178}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 30 and name HD% )
4.800 2.900 1.200 peak 178 spectrum 1 weight 0.10000E+01 volume 0.14647E-03 ppm1 8.314 ppm2 6.963 CV 1
OR { 178}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 36 and name HN ))
ASSI { 188}
(( segid " " and resid 31 and name HD21))
( segid " " and resid 34 and name HG2%)
5.500 3.800 0.500 peak 188 spectrum 1 weight 0.10000E+01 volume 0.12420E-03 ppm1 6.631 ppm2 0.954 CV 1
OR { 188}
(( segid " " and resid 31 and name HD21))
( segid " " and resid 10 and name HG1%)
ASSI { 200}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB1 ))
6.000 4.800 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.10192E-03 ppm1 8.313 ppm2 2.297 CV 1
OR { 200}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 16 and name HG2 ))
ASSI { 203}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 29 and name HB2 ))
5.700 4.000 0.300 peak 203 spectrum 1 weight 0.10000E+01 volume 0.94160E-04 ppm1 9.441 ppm2 2.688 CV 1
OR { 203}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 28 and name HB1 ))
ASSI { 205}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 109 and name HG1 ))
6.000 4.700 0.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.91457E-04 ppm1 9.013 ppm2 1.820 CV 1
OR { 205}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 40 and name HB2 ))
OR { 205}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 19 and name HB1 ))
ASSI { 209}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HG1 ))
5.300 3.500 0.700 peak 209 spectrum 1 weight 0.10000E+01 volume 0.76947E-04 ppm1 6.999 ppm2 1.180 CV 1
OR { 209}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 38 and name HG2%)
ASSI { 221}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 34 and name HG2%)
6.000 4.600 0.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.58385E-04 ppm1 6.994 ppm2 0.951 CV 1
OR { 221}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 10 and name HG1%)
ASSI { 236}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 17 and name HZ3 ))
6.000 5.200 0.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.34930E-04 ppm1 9.441 ppm2 6.964 CV 1
OR { 236}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 36 and name HE22))
ASSI { 239}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 31 and name HB1 ))
6.000 4.900 0.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.30205E-04 ppm1 7.751 ppm2 2.296 CV 1
OR { 239}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HG1 ))
Contact the webmaster for help, if required. Friday, May 10, 2024 10:57:51 AM GMT (wattos1)