NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
520174 |
2lde   |
17661 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HA ))
2.800 1.000 1.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.25256E-02 ppm1 8.944 ppm2 4.729 CV 1
ASSI { 1}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HA ))
2.100 0.600 0.600 peak 1 spectrum 1 weight 0.10000E+01 volume 0.11079E-01 ppm1 8.945 ppm2 4.183 CV 1
ASSI { 2}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB1 ))
2.500 0.800 0.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.58308E-02 ppm1 8.945 ppm2 3.821 CV 1
OR { 2}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB2 ))
ASSI { 3}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HB2 ))
3.400 1.400 1.400 peak 3 spectrum 1 weight 0.10000E+01 volume 0.20485E-02 ppm1 8.945 ppm2 3.322 CV 1
ASSI { 4}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HB1 ))
3.200 1.300 1.300 peak 4 spectrum 1 weight 0.10000E+01 volume 0.15226E-02 ppm1 8.945 ppm2 3.073 CV 1
ASSI { 12}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HA ))
2.800 1.000 1.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.21877E-02 ppm1 8.728 ppm2 4.895 CV 1
ASSI { 15}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB2 ))
3.000 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.16026E-02 ppm1 8.730 ppm2 3.370 CV 1
ASSI { 21}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
2.800 1.000 1.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.22227E-02 ppm1 8.415 ppm2 4.629 CV 1
ASSI { 22}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
3.200 1.300 1.300 peak 22 spectrum 1 weight 0.10000E+01 volume 0.13123E-02 ppm1 8.420 ppm2 4.375 CV 1
ASSI { 25}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HB2 ))
4.400 2.400 1.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.55095E-03 ppm1 8.417 ppm2 3.306 CV 1
OR { 25}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HB1 ))
ASSI { 29}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB1 ))
2.600 0.800 0.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.41357E-02 ppm1 8.414 ppm2 2.750 CV 1
OR { 29}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 35}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB1 ))
2.800 1.000 1.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.45121E-02 ppm1 8.355 ppm2 2.742 CV 1
ASSI { 36}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
2.400 0.700 0.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.56625E-02 ppm1 8.354 ppm2 4.651 CV 1
ASSI { 37}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB1 ))
3.300 1.300 1.300 peak 37 spectrum 1 weight 0.10000E+01 volume 0.17872E-02 ppm1 8.355 ppm2 1.727 CV 1
ASSI { 38}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB2 ))
3.100 1.200 1.200 peak 38 spectrum 1 weight 0.10000E+01 volume 0.20750E-02 ppm1 8.355 ppm2 1.789 CV 1
ASSI { 39}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
2.300 0.700 0.700 peak 39 spectrum 1 weight 0.10000E+01 volume 0.84600E-02 ppm1 8.354 ppm2 4.271 CV 1
ASSI { 40}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 19 and name HG2%)
4.000 2.000 2.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.56768E-03 ppm1 8.356 ppm2 0.807 CV 1
ASSI { 41}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG2 ))
3.700 1.700 1.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.70074E-03 ppm1 8.355 ppm2 1.342 CV 1
OR { 41}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 42}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 9 and name HD1%)
4.400 2.400 1.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.49937E-03 ppm1 8.332 ppm2 0.852 CV 1
ASSI { 43}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 9 and name HD2%)
4.200 2.200 1.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.71163E-03 ppm1 8.333 ppm2 0.905 CV 1
ASSI { 44}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HG ))
3.500 1.600 1.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.15713E-02 ppm1 8.333 ppm2 1.539 CV 1
ASSI { 47}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HB2 ))
4.500 2.500 1.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.40906E-03 ppm1 8.336 ppm2 2.144 CV 1
ASSI { 49}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB2 ))
2.800 1.000 1.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.22708E-02 ppm1 8.333 ppm2 2.887 CV 1
ASSI { 50}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB1 ))
2.900 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.26001E-02 ppm1 8.333 ppm2 2.831 CV 1
ASSI { 53}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB1 ))
2.900 1.100 1.100 peak 53 spectrum 1 weight 0.10000E+01 volume 0.26170E-02 ppm1 8.306 ppm2 2.616 CV 1
ASSI { 54}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB2 ))
2.800 1.000 1.000 peak 54 spectrum 1 weight 0.10000E+01 volume 0.26399E-02 ppm1 8.308 ppm2 2.767 CV 1
ASSI { 55}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
2.600 0.900 0.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.38442E-02 ppm1 8.308 ppm2 4.510 CV 1
ASSI { 57}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB ))
3.400 1.500 1.500 peak 57 spectrum 1 weight 0.10000E+01 volume 0.18230E-02 ppm1 8.309 ppm2 1.885 CV 1
ASSI { 58}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 22 and name HG1%)
2.700 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.14967E-02 ppm1 8.309 ppm2 0.800 CV 1
ASSI { 59}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA ))
2.600 0.800 0.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.46275E-02 ppm1 8.280 ppm2 4.284 CV 1
ASSI { 60}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB2 ))
3.900 1.900 1.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.38706E-03 ppm1 8.275 ppm2 1.813 CV 1
ASSI { 61}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
3.100 1.200 1.200 peak 61 spectrum 1 weight 0.10000E+01 volume 0.13837E-02 ppm1 8.233 ppm2 4.653 CV 1
ASSI { 62}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
2.600 0.900 0.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.39132E-02 ppm1 8.232 ppm2 4.109 CV 1
ASSI { 63}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB1 ))
2.600 0.900 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.33967E-02 ppm1 8.231 ppm2 3.138 CV 1
ASSI { 64}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB2 ))
2.700 0.900 0.900 peak 64 spectrum 1 weight 0.10000E+01 volume 0.43081E-02 ppm1 8.232 ppm2 3.211 CV 1
ASSI { 65}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB ))
3.500 1.500 1.500 peak 65 spectrum 1 weight 0.10000E+01 volume 0.16525E-02 ppm1 8.231 ppm2 1.754 CV 1
ASSI { 66}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 19 and name HG2%)
3.900 1.900 1.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.35275E-03 ppm1 8.232 ppm2 0.805 CV 1
ASSI { 69}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HG11))
4.100 2.100 1.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.36215E-03 ppm1 8.233 ppm2 1.091 CV 1
ASSI { 71}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
2.600 0.800 0.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.43811E-02 ppm1 8.216 ppm2 4.510 CV 1
ASSI { 72}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA ))
2.800 1.000 1.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.27200E-02 ppm1 8.216 ppm2 4.284 CV 1
ASSI { 73}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB1 ))
3.000 1.100 1.100 peak 73 spectrum 1 weight 0.10000E+01 volume 0.23259E-02 ppm1 8.218 ppm2 1.667 CV 1
ASSI { 74}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HG1 ))
3.800 1.800 1.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.39791E-03 ppm1 8.215 ppm2 1.536 CV 1
OR { 74}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HG2 ))
ASSI { 75}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB2 ))
3.200 1.200 1.200 peak 75 spectrum 1 weight 0.10000E+01 volume 0.14477E-02 ppm1 8.219 ppm2 1.815 CV 1
ASSI { 76}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
2.500 0.800 0.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.40466E-02 ppm1 8.203 ppm2 4.094 CV 1
ASSI { 78}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG2 ))
3.000 1.100 1.100 peak 78 spectrum 1 weight 0.10000E+01 volume 0.30706E-02 ppm1 8.206 ppm2 2.613 CV 1
ASSI { 79}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG1 ))
2.400 0.700 0.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.36735E-02 ppm1 8.205 ppm2 2.536 CV 1
ASSI { 80}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB2 ))
2.300 0.700 0.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.60238E-02 ppm1 8.204 ppm2 2.149 CV 1
ASSI { 81}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB1 ))
3.000 1.100 1.100 peak 81 spectrum 1 weight 0.10000E+01 volume 0.38134E-02 ppm1 8.204 ppm2 2.080 CV 1
ASSI { 83}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 8 and name HA ))
3.500 1.500 1.500 peak 83 spectrum 1 weight 0.10000E+01 volume 0.86227E-03 ppm1 8.206 ppm2 4.382 CV 1
ASSI { 84}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB1 ))
2.400 0.700 0.700 peak 84 spectrum 1 weight 0.10000E+01 volume 0.55721E-02 ppm1 8.207 ppm2 3.103 CV 1
OR { 84}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 87}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
2.500 0.800 0.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.50388E-02 ppm1 8.180 ppm2 4.472 CV 1
ASSI { 88}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB2 ))
2.800 1.000 1.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.26526E-02 ppm1 8.180 ppm2 4.234 CV 1
ASSI { 89}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
2.300 0.700 0.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.74775E-02 ppm1 8.181 ppm2 4.635 CV 1
ASSI { 90}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HG1 ))
3.400 1.400 1.400 peak 90 spectrum 1 weight 0.10000E+01 volume 0.71681E-03 ppm1 8.180 ppm2 2.318 CV 1
ASSI { 91}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HG2 ))
3.700 1.700 1.700 peak 91 spectrum 1 weight 0.10000E+01 volume 0.48671E-03 ppm1 8.182 ppm2 2.439 CV 1
ASSI { 93}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 10 and name HB1 ))
2.400 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.35075E-02 ppm1 8.180 ppm2 2.068 CV 1
ASSI { 95}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB ))
2.700 0.900 0.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.34144E-02 ppm1 8.061 ppm2 3.958 CV 1
ASSI { 96}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
2.500 0.800 0.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.51261E-02 ppm1 8.059 ppm2 4.103 CV 1
ASSI { 97}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
2.200 0.600 0.600 peak 97 spectrum 1 weight 0.10000E+01 volume 0.81737E-02 ppm1 8.060 ppm2 4.898 CV 1
ASSI { 98}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HG2%)
2.900 1.000 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.18357E-02 ppm1 8.061 ppm2 1.134 CV 1
ASSI { 101}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 2 and name HB2 ))
3.600 1.600 1.600 peak 101 spectrum 1 weight 0.10000E+01 volume 0.29050E-03 ppm1 8.061 ppm2 3.822 CV 1
OR { 101}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 2 and name HB1 ))
ASSI { 102}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
2.600 0.800 0.800 peak 102 spectrum 1 weight 0.10000E+01 volume 0.36866E-02 ppm1 8.033 ppm2 4.105 CV 1
ASSI { 103}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
2.000 0.500 0.500 peak 103 spectrum 1 weight 0.10000E+01 volume 0.12604E-01 ppm1 8.033 ppm2 4.025 CV 1
ASSI { 105}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB ))
2.200 0.600 0.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.88122E-02 ppm1 8.036 ppm2 1.753 CV 1
ASSI { 106}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG12))
3.400 1.500 1.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.22853E-02 ppm1 8.035 ppm2 1.359 CV 1
ASSI { 107}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 20 and name HG2%)
2.900 1.100 1.100 peak 107 spectrum 1 weight 0.10000E+01 volume 0.16922E-02 ppm1 8.035 ppm2 0.772 CV 1
ASSI { 108}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 19 and name HG2%)
3.700 1.700 1.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.78105E-03 ppm1 8.035 ppm2 0.807 CV 1
ASSI { 109}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 19 and name HG1%)
3.100 1.200 1.200 peak 109 spectrum 1 weight 0.10000E+01 volume 0.21972E-02 ppm1 8.034 ppm2 0.709 CV 1
ASSI { 110}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG11))
3.200 3.200 2.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.23854E-02 ppm1 8.032 ppm2 1.088 CV 1
ASSI { 111}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
2.500 0.800 0.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.49441E-02 ppm1 7.968 ppm2 4.269 CV 1
ASSI { 112}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
3.000 1.100 1.100 peak 112 spectrum 1 weight 0.10000E+01 volume 0.20419E-02 ppm1 7.972 ppm2 4.630 CV 1
ASSI { 113}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 12 and name HA ))
3.100 3.100 2.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.29984E-02 ppm1 7.975 ppm2 4.096 CV 1
ASSI { 114}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
2.800 1.000 1.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.28994E-02 ppm1 7.971 ppm2 3.308 CV 1
OR { 114}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB1 ))
ASSI { 115}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG2 ))
2.700 0.900 0.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.31087E-02 ppm1 7.969 ppm2 1.339 CV 1
OR { 115}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 116}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB2 ))
3.100 1.200 1.200 peak 116 spectrum 1 weight 0.10000E+01 volume 0.16580E-02 ppm1 7.972 ppm2 1.787 CV 1
ASSI { 117}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB1 ))
2.700 2.700 3.300 peak 117 spectrum 1 weight 0.10000E+01 volume 0.42872E-02 ppm1 7.971 ppm2 1.723 CV 1
ASSI { 119}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HD2 ))
4.600 2.600 1.400 peak 119 spectrum 1 weight 0.10000E+01 volume 0.22935E-03 ppm1 7.969 ppm2 1.617 CV 1
OR { 119}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 120}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HB2 ))
3.800 1.800 1.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.21147E-03 ppm1 7.972 ppm2 3.132 CV 1
ASSI { 121}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HB1 ))
4.200 2.200 1.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.45288E-03 ppm1 7.968 ppm2 2.796 CV 1
ASSI { 123}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 14 and name HA ))
3.600 1.600 1.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.60562E-03 ppm1 7.975 ppm2 4.382 CV 1
ASSI { 124}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.600 0.800 0.800 peak 124 spectrum 1 weight 0.10000E+01 volume 0.36212E-02 ppm1 7.904 ppm2 4.032 CV 1
ASSI { 125}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
2.400 0.700 0.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.69254E-02 ppm1 7.902 ppm2 4.649 CV 1
ASSI { 127}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 4 and name HA ))
4.300 2.300 1.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.34578E-03 ppm1 7.902 ppm2 4.101 CV 1
ASSI { 128}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 17 and name HA ))
5.200 3.300 0.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.10116E-03 ppm1 7.900 ppm2 4.270 CV 1
ASSI { 132}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB ))
2.700 0.900 0.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.43245E-02 ppm1 7.901 ppm2 1.920 CV 1
ASSI { 134}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HG1%)
3.000 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.15973E-02 ppm1 7.904 ppm2 0.709 CV 1
ASSI { 136}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.200 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.15276E-02 ppm1 7.901 ppm2 2.873 CV 1
ASSI { 139}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
2.400 0.700 0.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.49912E-02 ppm1 7.848 ppm2 3.308 CV 1
OR { 139}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB1 ))
ASSI { 140}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB2 ))
3.700 1.700 1.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.17289E-02 ppm1 7.848 ppm2 3.127 CV 1
ASSI { 143}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HA ))
6.000 4.600 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.68005E-04 ppm1 7.847 ppm2 4.266 CV 1
ASSI { 144}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
2.600 0.900 0.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.37122E-02 ppm1 7.821 ppm2 4.469 CV 1
ASSI { 145}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
2.900 1.000 1.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.20617E-02 ppm1 7.818 ppm2 4.096 CV 1
ASSI { 146}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 10 and name HA ))
3.200 1.300 1.300 peak 146 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 7.819 ppm2 4.062 CV 1
ASSI { 147}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB1 ))
2.100 0.600 0.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.11057E-01 ppm1 7.820 ppm2 2.754 CV 1
OR { 147}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 148}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB2 ))
2.800 1.000 1.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.21742E-02 ppm1 7.820 ppm2 2.148 CV 1
ASSI { 149}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB1 ))
3.300 1.400 1.400 peak 149 spectrum 1 weight 0.10000E+01 volume 0.16618E-02 ppm1 7.820 ppm2 2.082 CV 1
ASSI { 150}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG1 ))
4.900 3.000 1.100 peak 150 spectrum 1 weight 0.10000E+01 volume 0.17165E-03 ppm1 7.819 ppm2 2.526 CV 1
ASSI { 151}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG2 ))
5.600 3.900 0.400 peak 151 spectrum 1 weight 0.10000E+01 volume 0.11219E-03 ppm1 7.821 ppm2 2.618 CV 1
ASSI { 152}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 9 and name HD2%)
5.100 3.300 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.11443E-03 ppm1 7.822 ppm2 0.900 CV 1
ASSI { 153}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 9 and name HB1 ))
5.100 3.300 0.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.76978E-04 ppm1 7.820 ppm2 1.628 CV 1
ASSI { 154}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA ))
2.800 1.000 1.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.28263E-02 ppm1 7.799 ppm2 3.963 CV 1
ASSI { 155}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
2.200 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.96532E-02 ppm1 7.798 ppm2 4.658 CV 1
ASSI { 156}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 22 and name HG2%)
2.500 0.800 0.800 peak 156 spectrum 1 weight 0.10000E+01 volume 0.38592E-02 ppm1 7.797 ppm2 0.801 CV 1
OR { 156}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 22 and name HG1%)
ASSI { 157}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB ))
2.800 1.000 1.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.31263E-02 ppm1 7.799 ppm2 1.884 CV 1
ASSI { 158}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB2 ))
3.500 1.500 1.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.12099E-02 ppm1 7.796 ppm2 3.213 CV 1
ASSI { 160}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 19 and name HG1%)
4.400 2.400 1.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.90005E-04 ppm1 7.801 ppm2 0.705 CV 1
ASSI { 161}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HG12))
5.200 3.300 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.33579E-04 ppm1 7.802 ppm2 1.366 CV 1
ASSI { 164}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 8 and name HA ))
5.100 3.200 0.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.10946E-03 ppm1 7.757 ppm2 4.381 CV 1
ASSI { 166}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB2 ))
2.400 0.700 0.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.42648E-02 ppm1 7.759 ppm2 2.147 CV 1
ASSI { 169}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HG ))
3.100 1.200 1.200 peak 169 spectrum 1 weight 0.10000E+01 volume 0.17194E-02 ppm1 7.760 ppm2 1.536 CV 1
ASSI { 170}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 7 and name HA ))
4.600 2.700 1.400 peak 170 spectrum 1 weight 0.10000E+01 volume 0.63823E-04 ppm1 7.755 ppm2 4.467 CV 1
ASSI { 171}
(( segid " " and resid 21 and name HE1 ))
( segid " " and resid 19 and name HG1%)
4.500 2.500 1.500 peak 171 spectrum 1 weight 0.10000E+01 volume 0.14971E-03 ppm1 10.034 ppm2 0.711 CV 1
ASSI { 172}
(( segid " " and resid 21 and name HE1 ))
( segid " " and resid 20 and name HG2%)
4.900 3.000 1.100 peak 172 spectrum 1 weight 0.10000E+01 volume 0.47761E-04 ppm1 10.032 ppm2 0.773 CV 1
ASSI { 173}
(( segid " " and resid 21 and name HE1 ))
( segid " " and resid 19 and name HG2%)
4.300 2.300 1.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.22650E-03 ppm1 10.033 ppm2 0.803 CV 1
ASSI { 174}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HB2 ))
2.700 0.900 0.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.32847E-02 ppm1 7.198 ppm2 3.307 CV 1
OR { 174}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HB1 ))
ASSI { 175}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HA ))
3.400 1.500 1.500 peak 175 spectrum 1 weight 0.10000E+01 volume 0.85176E-03 ppm1 7.198 ppm2 4.630 CV 1
ASSI { 176}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 12 and name HA ))
3.200 1.300 1.300 peak 176 spectrum 1 weight 0.10000E+01 volume 0.11149E-02 ppm1 7.198 ppm2 4.096 CV 1
ASSI { 177}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 15 and name HB2 ))
4.500 2.500 1.500 peak 177 spectrum 1 weight 0.10000E+01 volume 0.77510E-03 ppm1 7.194 ppm2 3.128 CV 1
ASSI { 178}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 15 and name HB1 ))
3.300 1.400 1.400 peak 178 spectrum 1 weight 0.10000E+01 volume 0.64130E-03 ppm1 7.196 ppm2 2.811 CV 1
ASSI { 180}
(( segid " " and resid 16 and name HE1 ))
(( segid " " and resid 16 and name HB1 ))
4.300 2.400 1.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.47082E-03 ppm1 8.538 ppm2 3.308 CV 1
OR { 180}
(( segid " " and resid 16 and name HE1 ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 181}
(( segid " " and resid 13 and name HD22))
(( segid " " and resid 13 and name HA ))
4.600 2.700 1.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.21450E-03 ppm1 7.430 ppm2 4.468 CV 1
ASSI { 182}
(( segid " " and resid 13 and name HD21))
(( segid " " and resid 13 and name HA ))
4.700 2.800 1.300 peak 182 spectrum 1 weight 0.10000E+01 volume 0.19535E-03 ppm1 6.858 ppm2 4.468 CV 1
ASSI { 183}
(( segid " " and resid 13 and name HD21))
(( segid " " and resid 13 and name HB1 ))
2.900 1.100 1.100 peak 183 spectrum 1 weight 0.10000E+01 volume 0.13689E-02 ppm1 6.860 ppm2 2.751 CV 1
OR { 183}
(( segid " " and resid 13 and name HD21))
(( segid " " and resid 13 and name HB2 ))
ASSI { 184}
(( segid " " and resid 13 and name HD22))
(( segid " " and resid 13 and name HB1 ))
3.400 1.400 1.400 peak 184 spectrum 1 weight 0.10000E+01 volume 0.23315E-02 ppm1 7.430 ppm2 2.750 CV 1
OR { 184}
(( segid " " and resid 13 and name HD22))
(( segid " " and resid 13 and name HB2 ))
ASSI { 185}
(( segid " " and resid 13 and name HD22))
(( segid " " and resid 10 and name HA ))
3.900 1.900 1.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.10603E-02 ppm1 7.430 ppm2 4.068 CV 1
ASSI { 186}
(( segid " " and resid 13 and name HD21))
(( segid " " and resid 10 and name HA ))
3.300 1.400 1.400 peak 186 spectrum 1 weight 0.10000E+01 volume 0.74429E-03 ppm1 6.860 ppm2 4.067 CV 1
ASSI { 187}
(( segid " " and resid 13 and name HD21))
( segid " " and resid 9 and name HD2%)
3.800 1.800 1.800 peak 187 spectrum 1 weight 0.10000E+01 volume 0.64354E-03 ppm1 6.860 ppm2 0.904 CV 1
ASSI { 189}
(( segid " " and resid 13 and name HD22))
( segid " " and resid 9 and name HD2%)
3.600 1.600 1.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.46137E-03 ppm1 7.431 ppm2 0.902 CV 1
ASSI { 190}
(( segid " " and resid 13 and name HD22))
( segid " " and resid 9 and name HD1%)
4.800 2.900 1.200 peak 190 spectrum 1 weight 0.10000E+01 volume 0.11098E-03 ppm1 7.430 ppm2 0.850 CV 1
ASSI { 193}
(( segid " " and resid 13 and name HD21))
(( segid " " and resid 9 and name HG ))
5.600 3.900 0.400 peak 193 spectrum 1 weight 0.10000E+01 volume 0.53398E-04 ppm1 6.862 ppm2 1.532 CV 1
ASSI { 194}
(( segid " " and resid 13 and name HD21))
(( segid " " and resid 9 and name HB1 ))
3.700 1.700 1.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.53459E-03 ppm1 6.859 ppm2 1.616 CV 1
ASSI { 195}
(( segid " " and resid 21 and name HZ2 ))
( segid " " and resid 19 and name HG1%)
3.800 1.800 1.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.38009E-03 ppm1 7.427 ppm2 0.707 CV 1
ASSI { 196}
(( segid " " and resid 21 and name HZ2 ))
( segid " " and resid 19 and name HG2%)
3.700 1.800 1.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.41300E-03 ppm1 7.425 ppm2 0.802 CV 1
ASSI { 197}
(( segid " " and resid 13 and name HD22))
(( segid " " and resid 10 and name HG1 ))
4.200 2.200 1.800 peak 197 spectrum 1 weight 0.10000E+01 volume 0.12432E-03 ppm1 7.429 ppm2 2.530 CV 1
OR { 197}
(( segid " " and resid 13 and name HD22))
(( segid " " and resid 10 and name HG2 ))
ASSI { 199}
(( segid " " and resid 23 and name HD22))
(( segid " " and resid 23 and name HB1 ))
4.400 2.400 1.600 peak 199 spectrum 1 weight 0.10000E+01 volume 0.45210E-03 ppm1 7.551 ppm2 2.621 CV 1
ASSI { 200}
(( segid " " and resid 23 and name HD21))
(( segid " " and resid 23 and name HB1 ))
4.200 2.200 1.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.36427E-03 ppm1 6.895 ppm2 2.632 CV 1
ASSI { 201}
(( segid " " and resid 23 and name HD21))
(( segid " " and resid 23 and name HB2 ))
4.400 2.400 1.600 peak 201 spectrum 1 weight 0.10000E+01 volume 0.11213E-03 ppm1 6.890 ppm2 2.773 CV 1
ASSI { 202}
(( segid " " and resid 23 and name HD21))
( segid " " and resid 22 and name HG1%)
3.800 1.800 1.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.22753E-03 ppm1 6.890 ppm2 0.801 CV 1
OR { 202}
(( segid " " and resid 23 and name HD21))
( segid " " and resid 22 and name HG2%)
ASSI { 203}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 14 and name HA ))
2.700 2.700 3.300 peak 203 spectrum 1 weight 0.10000E+01 volume 0.44381E-02 ppm1 7.309 ppm2 4.374 CV 1
ASSI { 204}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 15 and name HA ))
3.400 1.500 1.500 peak 204 spectrum 1 weight 0.10000E+01 volume 0.82749E-03 ppm1 7.309 ppm2 4.632 CV 1
ASSI { 205}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 3 and name HA ))
3.000 1.200 1.200 peak 205 spectrum 1 weight 0.10000E+01 volume 0.80770E-03 ppm1 7.310 ppm2 4.897 CV 1
ASSI { 206}
(( segid " " and resid 14 and name HZ ))
(( segid " " and resid 3 and name HA ))
3.800 1.800 1.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.36687E-03 ppm1 7.382 ppm2 4.896 CV 1
ASSI { 207}
(( segid " " and resid 14 and name HZ ))
(( segid " " and resid 15 and name HA ))
5.100 3.300 0.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.10868E-03 ppm1 7.378 ppm2 4.630 CV 1
ASSI { 209}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 11 and name HA ))
2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.13470E-02 ppm1 7.308 ppm2 4.586 CV 1
ASSI { 210}
(( segid " " and resid 14 and name HZ ))
(( segid " " and resid 14 and name HB1 ))
3.400 3.400 2.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.12852E-02 ppm1 7.381 ppm2 3.159 CV 1
ASSI { 211}
(( segid " " and resid 14 and name HZ ))
(( segid " " and resid 14 and name HB2 ))
3.400 3.400 2.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.12066E-02 ppm1 7.381 ppm2 3.210 CV 1
ASSI { 212}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 14 and name HB2 ))
2.800 2.800 3.200 peak 212 spectrum 1 weight 0.10000E+01 volume 0.30327E-02 ppm1 7.311 ppm2 3.210 CV 1
ASSI { 213}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 14 and name HB1 ))
2.500 2.500 3.500 peak 213 spectrum 1 weight 0.10000E+01 volume 0.65667E-02 ppm1 7.311 ppm2 3.159 CV 1
ASSI { 214}
(( segid " " and resid 14 and name HZ ))
(( segid " " and resid 3 and name HB1 ))
4.500 2.500 1.500 peak 214 spectrum 1 weight 0.10000E+01 volume 0.18159E-03 ppm1 7.383 ppm2 2.927 CV 1
ASSI { 215}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 3 and name HB1 ))
3.200 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.45113E-03 ppm1 7.306 ppm2 2.933 CV 1
ASSI { 216}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 3 and name HB2 ))
3.900 1.900 1.900 peak 216 spectrum 1 weight 0.10000E+01 volume 0.53586E-03 ppm1 7.305 ppm2 3.373 CV 1
ASSI { 225}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 14 and name HB2 ))
2.800 0.900 0.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.10189E-02 ppm1 7.274 ppm2 3.203 CV 1
ASSI { 229}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 21 and name HB1 ))
2.400 0.700 0.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.43621E-02 ppm1 7.163 ppm2 3.137 CV 1
ASSI { 230}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 21 and name HB2 ))
3.600 1.600 1.600 peak 230 spectrum 1 weight 0.10000E+01 volume 0.16624E-02 ppm1 7.164 ppm2 3.219 CV 1
ASSI { 231}
(( segid " " and resid 21 and name HE3 ))
(( segid " " and resid 21 and name HA ))
3.400 1.500 1.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.18645E-02 ppm1 7.567 ppm2 4.657 CV 1
ASSI { 233}
(( segid " " and resid 21 and name HE3 ))
(( segid " " and resid 22 and name HA ))
4.300 2.300 1.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.20862E-03 ppm1 7.566 ppm2 3.962 CV 1
ASSI { 235}
(( segid " " and resid 21 and name HE3 ))
( segid " " and resid 19 and name HG2%)
3.400 1.500 1.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.73129E-03 ppm1 7.566 ppm2 0.804 CV 1
ASSI { 236}
(( segid " " and resid 21 and name HE3 ))
( segid " " and resid 19 and name HG1%)
4.100 2.100 1.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.26699E-03 ppm1 7.567 ppm2 0.708 CV 1
ASSI { 237}
(( segid " " and resid 21 and name HD1 ))
( segid " " and resid 19 and name HG1%)
3.700 1.700 1.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.61659E-03 ppm1 7.163 ppm2 0.707 CV 1
ASSI { 238}
(( segid " " and resid 21 and name HD1 ))
( segid " " and resid 19 and name HG2%)
3.600 1.600 1.600 peak 238 spectrum 1 weight 0.10000E+01 volume 0.78900E-03 ppm1 7.164 ppm2 0.798 CV 1
ASSI { 239}
(( segid " " and resid 21 and name HE1 ))
(( segid " " and resid 21 and name HD1 ))
2.700 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.33965E-02 ppm1 10.037 ppm2 7.163 CV 1
ASSI { 241}
(( segid " " and resid 21 and name HZ2 ))
(( segid " " and resid 21 and name HE1 ))
2.900 1.000 1.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.23650E-02 ppm1 7.433 ppm2 10.036 CV 1
ASSI { 243}
(( segid " " and resid 14 and name HZ ))
(( segid " " and resid 2 and name HN ))
3.700 1.700 1.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.45755E-03 ppm1 7.381 ppm2 8.944 CV 1
ASSI { 244}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 2 and name HN ))
3.500 1.500 1.500 peak 244 spectrum 1 weight 0.10000E+01 volume 0.43010E-03 ppm1 7.307 ppm2 8.944 CV 1
ASSI { 250}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HN ))
2.800 1.000 1.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.22138E-02 ppm1 8.332 ppm2 8.807 CV 1
ASSI { 253}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HN ))
3.300 1.400 1.400 peak 253 spectrum 1 weight 0.10000E+01 volume 0.18239E-02 ppm1 8.060 ppm2 8.727 CV 1
ASSI { 254}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HN ))
2.400 0.700 0.700 peak 254 spectrum 1 weight 0.10000E+01 volume 0.48375E-02 ppm1 8.204 ppm2 8.508 CV 1
ASSI { 255}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HN ))
2.600 0.800 0.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.31104E-02 ppm1 7.759 ppm2 8.507 CV 1
ASSI { 259}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HN ))
2.400 0.700 0.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.47483E-02 ppm1 7.818 ppm2 8.409 CV 1
ASSI { 268}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HN ))
2.600 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.30732E-02 ppm1 7.758 ppm2 8.332 CV 1
ASSI { 270}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
3.100 1.200 1.200 peak 270 spectrum 1 weight 0.10000E+01 volume 0.18297E-02 ppm1 7.799 ppm2 8.309 CV 1
ASSI { 273}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
2.800 1.000 1.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.19894E-02 ppm1 8.034 ppm2 8.231 CV 1
ASSI { 276}
(( segid " " and resid 21 and name HE3 ))
(( segid " " and resid 21 and name HN ))
3.200 1.300 1.300 peak 276 spectrum 1 weight 0.10000E+01 volume 0.12362E-02 ppm1 7.562 ppm2 8.222 CV 1
ASSI { 277}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 21 and name HN ))
2.900 1.100 1.100 peak 277 spectrum 1 weight 0.10000E+01 volume 0.19205E-02 ppm1 7.163 ppm2 8.230 CV 1
ASSI { 280}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HN ))
2.600 0.800 0.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.30313E-02 ppm1 8.205 ppm2 7.818 CV 1
ASSI { 281}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HN ))
4.200 2.200 1.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.37912E-03 ppm1 8.179 ppm2 7.904 CV 1
ASSI { 283}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HN ))
3.700 1.700 1.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.10558E-02 ppm1 8.025 ppm2 7.901 CV 1
ASSI { 284}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HN ))
2.500 0.800 0.800 peak 284 spectrum 1 weight 0.10000E+01 volume 0.39505E-02 ppm1 7.848 ppm2 7.969 CV 1
ASSI { 286}
(( segid " " and resid 13 and name HD22))
(( segid " " and resid 13 and name HN ))
4.000 2.000 2.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.57786E-03 ppm1 7.427 ppm2 7.822 CV 1
ASSI { 287}
(( segid " " and resid 13 and name HD21))
(( segid " " and resid 13 and name HN ))
4.800 2.900 1.200 peak 287 spectrum 1 weight 0.10000E+01 volume 0.14880E-03 ppm1 6.855 ppm2 7.819 CV 1
ASSI { 294}
(( segid " " and resid 21 and name HZ3 ))
(( segid " " and resid 21 and name HE3 ))
2.200 0.600 0.600 peak 294 spectrum 1 weight 0.10000E+01 volume 0.10404E-01 ppm1 7.085 ppm2 7.562 CV 1
ASSI { 295}
(( segid " " and resid 21 and name HZ3 ))
(( segid " " and resid 21 and name HH2 ))
2.300 0.600 0.600 peak 295 spectrum 1 weight 0.10000E+01 volume 0.92964E-02 ppm1 7.100 ppm2 7.174 CV 1
ASSI { 299}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 22 and name HN ))
2.900 2.900 3.100 peak 299 spectrum 1 weight 0.10000E+01 volume 0.10883E-02 ppm1 7.160 ppm2 7.795 CV 1
ASSI { 302}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HA ))
2.300 0.600 0.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.81756E-02 ppm1 4.238 ppm2 4.471 CV 1
ASSI { 305}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB1 ))
2.600 0.900 0.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.45136E-02 ppm1 4.471 ppm2 3.975 CV 1
ASSI { 312}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 3 and name HA ))
3.900 1.900 1.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.83959E-03 ppm1 4.102 ppm2 4.898 CV 1
ASSI { 313}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HA ))
2.700 0.900 0.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.42805E-02 ppm1 3.376 ppm2 4.898 CV 1
ASSI { 315}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 3 and name HA ))
3.700 1.700 1.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.96980E-03 ppm1 3.116 ppm2 4.898 CV 1
OR { 315}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 3 and name HA ))
ASSI { 316}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HA ))
2.200 0.600 0.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.96935E-02 ppm1 3.312 ppm2 4.630 CV 1
OR { 316}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HA ))
ASSI { 318}
(( segid " " and resid 10 and name HG1 ))
(( segid " " and resid 10 and name HA ))
2.300 0.600 0.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.88814E-02 ppm1 2.537 ppm2 4.071 CV 1
OR { 318}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HA ))
ASSI { 320}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HA ))
2.600 0.800 0.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.39898E-02 ppm1 2.321 ppm2 4.637 CV 1
ASSI { 321}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HA ))
3.000 1.100 1.100 peak 321 spectrum 1 weight 0.10000E+01 volume 0.27023E-02 ppm1 2.441 ppm2 4.638 CV 1
ASSI { 322}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 12 and name HA ))
2.800 1.000 1.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.24013E-02 ppm1 3.309 ppm2 4.096 CV 1
OR { 322}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 12 and name HA ))
ASSI { 323}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HA ))
2.200 0.600 0.600 peak 323 spectrum 1 weight 0.10000E+01 volume 0.99151E-02 ppm1 2.749 ppm2 4.468 CV 1
OR { 323}
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 13 and name HA ))
ASSI { 325}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 8 and name HA ))
2.300 0.700 0.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.74301E-02 ppm1 3.117 ppm2 4.384 CV 1
OR { 325}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 8 and name HA ))
ASSI { 328}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 13 and name HA ))
3.000 1.200 1.200 peak 328 spectrum 1 weight 0.10000E+01 volume 0.16789E-02 ppm1 3.311 ppm2 4.469 CV 1
OR { 328}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 13 and name HA ))
ASSI { 329}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 1 and name HA ))
2.200 0.600 0.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.88161E-02 ppm1 3.329 ppm2 4.183 CV 1
ASSI { 330}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HA ))
2.800 0.900 0.900 peak 330 spectrum 1 weight 0.10000E+01 volume 0.32902E-02 ppm1 2.880 ppm2 4.384 CV 1
ASSI { 331}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HA ))
2.700 0.900 0.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.27955E-02 ppm1 2.835 ppm2 4.379 CV 1
ASSI { 332}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HA ))
2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.49230E-02 ppm1 3.157 ppm2 4.372 CV 1
ASSI { 334}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 23 and name HA ))
2.800 1.000 1.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.26692E-02 ppm1 2.626 ppm2 4.511 CV 1
ASSI { 337}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HA ))
2.600 0.800 0.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.39247E-02 ppm1 1.774 ppm2 4.637 CV 1
ASSI { 338}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HA ))
2.300 0.700 0.700 peak 338 spectrum 1 weight 0.10000E+01 volume 0.73206E-02 ppm1 2.068 ppm2 4.636 CV 1
ASSI { 339}
(( segid " " and resid 10 and name HB1 ))
(( segid " " and resid 10 and name HA ))
2.300 0.700 0.700 peak 339 spectrum 1 weight 0.10000E+01 volume 0.95705E-02 ppm1 2.083 ppm2 4.071 CV 1
ASSI { 340}
(( segid " " and resid 9 and name HG ))
(( segid " " and resid 9 and name HA ))
2.400 0.700 0.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.53188E-02 ppm1 1.544 ppm2 4.048 CV 1
ASSI { 342}
(( segid " " and resid 20 and name HB ))
(( segid " " and resid 20 and name HA ))
2.400 0.700 0.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.52442E-02 ppm1 1.765 ppm2 4.112 CV 1
ASSI { 343}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HA ))
2.800 0.900 0.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.22251E-02 ppm1 1.731 ppm2 4.267 CV 1
ASSI { 346}
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 19 and name HA ))
2.500 0.800 0.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.43828E-02 ppm1 1.933 ppm2 4.027 CV 1
ASSI { 349}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HA ))
2.400 0.700 0.700 peak 349 spectrum 1 weight 0.10000E+01 volume 0.73430E-02 ppm1 1.137 ppm2 4.103 CV 1
ASSI { 352}
( segid " " and resid 9 and name HD2%)
(( segid " " and resid 9 and name HA ))
3.000 1.100 1.100 peak 352 spectrum 1 weight 0.10000E+01 volume 0.48157E-02 ppm1 0.905 ppm2 4.048 CV 1
ASSI { 353}
( segid " " and resid 9 and name HD1%)
(( segid " " and resid 9 and name HA ))
2.400 0.700 0.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.44493E-02 ppm1 0.851 ppm2 4.047 CV 1
ASSI { 354}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 22 and name HA ))
2.600 0.800 0.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.41018E-02 ppm1 0.806 ppm2 3.960 CV 1
OR { 354}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 22 and name HA ))
ASSI { 355}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 19 and name HA ))
2.600 0.900 0.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.37797E-02 ppm1 0.807 ppm2 4.028 CV 1
ASSI { 356}
( segid " " and resid 19 and name HG1%)
(( segid " " and resid 19 and name HA ))
2.300 0.700 0.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.64143E-02 ppm1 0.711 ppm2 4.028 CV 1
ASSI { 360}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HA ))
2.800 1.000 1.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.33597E-02 ppm1 1.336 ppm2 4.269 CV 1
OR { 360}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HA ))
ASSI { 364}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 11 and name HB1 ))
3.000 1.100 1.100 peak 364 spectrum 1 weight 0.10000E+01 volume 0.22286E-02 ppm1 4.100 ppm2 3.114 CV 1
OR { 364}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 367}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 1 and name HB1 ))
2.500 0.800 0.800 peak 367 spectrum 1 weight 0.10000E+01 volume 0.50490E-02 ppm1 4.185 ppm2 3.071 CV 1
ASSI { 368}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB2 ))
2.300 0.600 0.600 peak 368 spectrum 1 weight 0.10000E+01 volume 0.66180E-02 ppm1 4.383 ppm2 3.216 CV 1
ASSI { 370}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HB2 ))
3.000 3.000 3.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.34988E-02 ppm1 4.383 ppm2 3.115 CV 1
ASSI { 371}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
2.400 0.700 0.700 peak 371 spectrum 1 weight 0.10000E+01 volume 0.69920E-02 ppm1 4.502 ppm2 2.770 CV 1
ASSI { 373}
(( segid " " and resid 3 and name HB1 ))
(( segid " " and resid 3 and name HB2 ))
1.900 0.400 0.400 peak 373 spectrum 1 weight 0.10000E+01 volume 0.12938E-01 ppm1 2.942 ppm2 3.372 CV 1
ASSI { 375}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 1 and name HB1 ))
2.000 0.500 0.500 peak 375 spectrum 1 weight 0.10000E+01 volume 0.95763E-02 ppm1 3.324 ppm2 3.074 CV 1
ASSI { 379}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HB1 ))
1.900 0.500 0.500 peak 379 spectrum 1 weight 0.10000E+01 volume 0.14059E-01 ppm1 2.870 ppm2 2.744 CV 1
ASSI { 380}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HB1 ))
1.800 0.400 0.400 peak 380 spectrum 1 weight 0.10000E+01 volume 0.18075E-01 ppm1 2.767 ppm2 2.619 CV 1
ASSI { 385}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 20 and name HG2%)
2.400 0.700 0.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.83204E-02 ppm1 4.111 ppm2 0.773 CV 1
ASSI { 392}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG12))
3.300 1.400 1.400 peak 392 spectrum 1 weight 0.10000E+01 volume 0.24432E-02 ppm1 4.110 ppm2 1.359 CV 1
ASSI { 400}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB2 ))
2.400 0.700 0.700 peak 400 spectrum 1 weight 0.10000E+01 volume 0.78022E-02 ppm1 4.280 ppm2 1.810 CV 1
ASSI { 401}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
2.300 0.700 0.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.90332E-02 ppm1 4.262 ppm2 1.781 CV 1
ASSI { 408}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 3 and name HB1 ))
3.600 3.600 2.400 peak 408 spectrum 1 weight 0.10000E+01 volume 0.47210E-03 ppm1 1.774 ppm2 2.941 CV 1
ASSI { 418}
(( segid " " and resid 14 and name HB1 ))
( segid " " and resid 6 and name HE% )
3.200 1.300 1.300 peak 418 spectrum 1 weight 0.10000E+01 volume 0.79463E-03 ppm1 3.164 ppm2 1.689 CV 1
ASSI { 419}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HB1 ))
1.800 0.400 0.400 peak 419 spectrum 1 weight 0.10000E+01 volume 0.13903E-01 ppm1 2.067 ppm2 1.766 CV 1
ASSI { 428}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HB1 ))
2.200 0.600 0.600 peak 428 spectrum 1 weight 0.10000E+01 volume 0.66372E-02 ppm1 2.622 ppm2 2.075 CV 1
ASSI { 429}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HG1 ))
2.000 0.500 0.500 peak 429 spectrum 1 weight 0.10000E+01 volume 0.78957E-02 ppm1 2.432 ppm2 2.319 CV 1
ASSI { 433}
(( segid " " and resid 16 and name HB1 ))
( segid " " and resid 19 and name HG2%)
3.000 1.100 1.100 peak 433 spectrum 1 weight 0.10000E+01 volume 0.14863E-02 ppm1 3.309 ppm2 0.803 CV 1
OR { 433}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 19 and name HG2%)
ASSI { 439}
(( segid " " and resid 18 and name HB1 ))
( segid " " and resid 19 and name HG1%)
4.400 2.400 1.600 peak 439 spectrum 1 weight 0.10000E+01 volume 0.20965E-03 ppm1 2.750 ppm2 0.705 CV 1
ASSI { 441}
(( segid " " and resid 21 and name HB1 ))
( segid " " and resid 19 and name HG1%)
3.800 1.800 1.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.53204E-03 ppm1 3.130 ppm2 0.710 CV 1
ASSI { 443}
(( segid " " and resid 16 and name HB1 ))
( segid " " and resid 19 and name HG1%)
3.800 1.800 1.800 peak 443 spectrum 1 weight 0.10000E+01 volume 0.33021E-03 ppm1 3.302 ppm2 0.702 CV 1
OR { 443}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 19 and name HG1%)
ASSI { 446}
(( segid " " and resid 5 and name HB2 ))
( segid " " and resid 4 and name HG2%)
3.100 1.200 1.200 peak 446 spectrum 1 weight 0.10000E+01 volume 0.10333E-02 ppm1 3.078 ppm2 1.135 CV 1
ASSI { 454}
(( segid " " and resid 19 and name HB ))
( segid " " and resid 19 and name HG1%)
2.400 0.700 0.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.49570E-02 ppm1 1.918 ppm2 0.710 CV 1
ASSI { 456}
(( segid " " and resid 20 and name HB ))
( segid " " and resid 20 and name HG2%)
2.100 0.600 0.600 peak 456 spectrum 1 weight 0.10000E+01 volume 0.10534E-01 ppm1 1.746 ppm2 0.771 CV 1
OR { 456}
(( segid " " and resid 20 and name HB ))
( segid " " and resid 20 and name HD1%)
ASSI { 459}
(( segid " " and resid 20 and name HG12))
(( segid " " and resid 20 and name HG11))
1.900 0.400 0.400 peak 459 spectrum 1 weight 0.10000E+01 volume 0.11176E-01 ppm1 1.350 ppm2 1.089 CV 1
ASSI { 460}
( segid " " and resid 20 and name HD1%)
(( segid " " and resid 20 and name HG12))
2.300 0.600 0.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.62154E-02 ppm1 0.777 ppm2 1.359 CV 1
OR { 460}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 20 and name HG12))
ASSI { 467}
( segid " " and resid 22 and name HG2%)
(( segid " " and resid 21 and name HA ))
3.200 1.200 1.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.23617E-02 ppm1 0.806 ppm2 4.647 CV 1
OR { 467}
( segid " " and resid 22 and name HG1%)
(( segid " " and resid 21 and name HA ))
ASSI { 468}
( segid " " and resid 19 and name HG1%)
(( segid " " and resid 18 and name HA ))
3.700 1.800 1.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.67781E-03 ppm1 0.712 ppm2 4.653 CV 1
ASSI { 471}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 3 and name HB2 ))
3.800 1.800 1.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.45579E-03 ppm1 2.067 ppm2 3.371 CV 1
ASSI { 474}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB1 ))
2.500 0.800 0.800 peak 474 spectrum 1 weight 0.10000E+01 volume 0.47085E-02 ppm1 4.279 ppm2 1.668 CV 1
ASSI { 475}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HG1 ))
4.100 2.100 1.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.32784E-03 ppm1 4.286 ppm2 1.545 CV 1
OR { 475}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HG2 ))
ASSI { 477}
(( segid " " and resid 2 and name HB1 ))
(( segid " " and resid 1 and name HA ))
3.800 1.800 1.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.49798E-03 ppm1 3.823 ppm2 4.177 CV 1
ASSI { 478}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 18 and name HA ))
3.700 1.700 1.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.89967E-03 ppm1 4.027 ppm2 4.650 CV 1
ASSI { 479}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 21 and name HA ))
4.100 2.100 1.900 peak 479 spectrum 1 weight 0.10000E+01 volume 0.44198E-03 ppm1 3.959 ppm2 4.652 CV 1
ASSI { 488}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 3 and name HA ))
4.600 2.600 1.400 peak 488 spectrum 1 weight 0.10000E+01 volume 0.37785E-03 ppm1 1.139 ppm2 4.897 CV 1
ASSI { 490}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 13 and name HA ))
3.400 1.400 1.400 peak 490 spectrum 1 weight 0.10000E+01 volume 0.94585E-03 ppm1 7.849 ppm2 4.469 CV 1
ASSI { 492}
(( segid " " and resid 21 and name HE1 ))
(( segid " " and resid 19 and name HB ))
5.500 3.800 0.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.56550E-04 ppm1 10.039 ppm2 1.921 CV 1
ASSI { 493}
(( segid " " and resid 21 and name HE1 ))
(( segid " " and resid 21 and name HB2 ))
6.000 4.600 0.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.52792E-04 ppm1 10.036 ppm2 3.211 CV 1
ASSI { 500}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
2.900 1.100 1.100 peak 500 spectrum 1 weight 0.10000E+01 volume 0.18730E-02 ppm1 8.204 ppm2 4.584 CV 1
ASSI { 501}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB2 ))
2.400 0.700 0.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.50385E-02 ppm1 8.511 ppm2 3.113 CV 1
OR { 501}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB1 ))
ASSI { 504}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HB2 ))
4.800 2.900 1.200 peak 504 spectrum 1 weight 0.10000E+01 volume 0.24717E-03 ppm1 7.761 ppm2 3.110 CV 1
OR { 504}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HB1 ))
ASSI { 506}
(( segid " " and resid 16 and name HD2 ))
( segid " " and resid 19 and name HG2%)
4.000 2.000 2.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.34742E-03 ppm1 7.200 ppm2 0.803 CV 1
ASSI { 508}
(( segid " " and resid 13 and name HD22))
(( segid " " and resid 10 and name HB2 ))
4.200 2.200 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.12080E-03 ppm1 7.428 ppm2 2.136 CV 1
ASSI { 513}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HA ))
2.800 1.000 1.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.28602E-02 ppm1 3.211 ppm2 4.661 CV 1
ASSI { 515}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 11 and name HB1 ))
3.700 1.700 1.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.68261E-03 ppm1 2.611 ppm2 3.115 CV 1
OR { 515}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 518}
(( segid " " and resid 23 and name HB1 ))
( segid " " and resid 22 and name HG2%)
4.100 2.100 1.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.32227E-03 ppm1 2.628 ppm2 0.798 CV 1
ASSI { 519}
(( segid " " and resid 13 and name HB1 ))
( segid " " and resid 9 and name HD2%)
4.300 2.300 1.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.35736E-03 ppm1 2.751 ppm2 0.903 CV 1
OR { 519}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 9 and name HD2%)
ASSI { 521}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 6 and name HB1 ))
5.600 3.900 0.400 peak 521 spectrum 1 weight 0.10000E+01 volume 0.49640E-04 ppm1 8.507 ppm2 1.765 CV 1
ASSI { 522}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 20 and name HG2%)
2.700 0.900 0.900 peak 522 spectrum 1 weight 0.10000E+01 volume 0.26993E-02 ppm1 8.232 ppm2 0.773 CV 1
ASSI { 527}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 5 and name HB1 ))
3.200 1.300 1.300 peak 527 spectrum 1 weight 0.10000E+01 volume 0.11769E-02 ppm1 1.137 ppm2 2.812 CV 1
ASSI { 529}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 11 and name HA ))
4.400 2.400 1.600 peak 529 spectrum 1 weight 0.10000E+01 volume 0.18522E-03 ppm1 7.822 ppm2 4.588 CV 1
ASSI { 530}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 15 and name HB1 ))
4.000 2.000 2.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.38870E-03 ppm1 7.306 ppm2 2.796 CV 1
ASSI { 534}
( segid " " and resid 6 and name HE% )
(( segid " " and resid 3 and name HA ))
2.900 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.17804E-02 ppm1 1.690 ppm2 4.897 CV 1
ASSI { 535}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 3 and name HA ))
4.400 2.400 1.600 peak 535 spectrum 1 weight 0.10000E+01 volume 0.25547E-03 ppm1 1.775 ppm2 4.902 CV 1
ASSI { 536}
( segid " " and resid 6 and name HE% )
(( segid " " and resid 3 and name HB2 ))
3.700 1.700 1.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.75633E-03 ppm1 1.691 ppm2 3.376 CV 1
ASSI { 537}
( segid " " and resid 6 and name HE% )
(( segid " " and resid 14 and name HB2 ))
3.100 1.200 1.200 peak 537 spectrum 1 weight 0.10000E+01 volume 0.13721E-02 ppm1 1.691 ppm2 3.215 CV 1
ASSI { 542}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 20 and name HG2%)
4.300 2.300 1.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.53107E-03 ppm1 3.208 ppm2 0.771 CV 1
ASSI { 543}
(( segid " " and resid 21 and name HB1 ))
( segid " " and resid 20 and name HG2%)
3.300 1.400 1.400 peak 543 spectrum 1 weight 0.10000E+01 volume 0.77350E-03 ppm1 3.133 ppm2 0.771 CV 1
ASSI { 545}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 20 and name HD1%)
3.600 3.600 2.400 peak 545 spectrum 1 weight 0.10000E+01 volume 0.51889E-03 ppm1 2.863 ppm2 0.773 CV 1
OR { 545}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 20 and name HG2%)
ASSI { 546}
(( segid " " and resid 18 and name HB1 ))
( segid " " and resid 20 and name HD1%)
4.200 2.200 1.800 peak 546 spectrum 1 weight 0.10000E+01 volume 0.23777E-03 ppm1 2.755 ppm2 0.773 CV 1
OR { 546}
(( segid " " and resid 18 and name HB1 ))
( segid " " and resid 20 and name HG2%)
ASSI { 6}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 4 and name HG2%)
3.100 1.200 1.200 peak 6 spectrum 1 weight 0.10000E+01 volume 0.11571E-02 ppm1 8.754 ppm2 1.133 CV 1
ASSI { 7}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB1 ))
3.100 1.200 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.15994E-02 ppm1 8.752 ppm2 2.813 CV 1
ASSI { 8}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB2 ))
3.500 1.500 1.500 peak 8 spectrum 1 weight 0.10000E+01 volume 0.61764E-03 ppm1 8.756 ppm2 3.054 CV 1
ASSI { 9}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
2.500 0.800 0.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.49761E-02 ppm1 8.755 ppm2 4.506 CV 1
ASSI { 10}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
2.400 0.700 0.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.55953E-02 ppm1 8.755 ppm2 4.111 CV 1
ASSI { 11}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB ))
3.800 1.800 1.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.66609E-03 ppm1 8.754 ppm2 3.979 CV 1
ASSI { 12}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
2.600 0.800 0.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.40681E-02 ppm1 8.713 ppm2 4.465 CV 1
ASSI { 13}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA ))
3.000 1.100 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.15879E-02 ppm1 8.714 ppm2 4.400 CV 1
ASSI { 14}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB2 ))
3.000 1.100 1.100 peak 14 spectrum 1 weight 0.10000E+01 volume 0.17958E-02 ppm1 8.713 ppm2 4.214 CV 1
ASSI { 15}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB2 ))
3.200 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.20460E-02 ppm1 8.639 ppm2 3.816 CV 1
OR { 15}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB1 ))
ASSI { 16}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HA ))
2.200 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.82704E-02 ppm1 8.638 ppm2 4.722 CV 1
ASSI { 18}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB1 ))
3.300 1.400 1.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.66583E-03 ppm1 8.715 ppm2 3.972 CV 1
ASSI { 19}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB1 ))
2.900 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.20193E-02 ppm1 8.712 ppm2 2.844 CV 1
ASSI { 20}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB2 ))
3.200 1.300 1.300 peak 20 spectrum 1 weight 0.10000E+01 volume 0.10698E-02 ppm1 8.712 ppm2 2.892 CV 1
ASSI { 21}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB1 ))
2.700 0.900 0.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.38662E-02 ppm1 8.638 ppm2 2.933 CV 1
ASSI { 23}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 11 and name HB2 ))
3.700 1.700 1.700 peak 23 spectrum 1 weight 0.10000E+01 volume 0.54176E-03 ppm1 8.637 ppm2 3.109 CV 1
OR { 23}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 11 and name HB1 ))
ASSI { 24}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
2.800 1.000 1.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.20125E-02 ppm1 8.428 ppm2 4.557 CV 1
ASSI { 25}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
3.100 1.200 1.200 peak 25 spectrum 1 weight 0.10000E+01 volume 0.12856E-02 ppm1 8.425 ppm2 4.071 CV 1
ASSI { 26}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 8 and name HA ))
3.300 1.400 1.400 peak 26 spectrum 1 weight 0.10000E+01 volume 0.86489E-03 ppm1 8.428 ppm2 4.397 CV 1
ASSI { 29}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 11 and name HA ))
3.000 1.100 1.100 peak 29 spectrum 1 weight 0.10000E+01 volume 0.20557E-02 ppm1 8.368 ppm2 4.557 CV 1
ASSI { 30}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 13 and name HA ))
3.800 1.800 1.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.60963E-03 ppm1 8.369 ppm2 4.469 CV 1
ASSI { 31}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 12 and name HA ))
3.100 1.200 1.200 peak 31 spectrum 1 weight 0.10000E+01 volume 0.12716E-02 ppm1 8.372 ppm2 4.090 CV 1
ASSI { 32}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
2.500 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.39057E-02 ppm1 8.348 ppm2 4.380 CV 1
ASSI { 33}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
2.900 1.000 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.19660E-02 ppm1 8.347 ppm2 4.466 CV 1
ASSI { 34}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 11 and name HA ))
3.500 1.500 1.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.62099E-03 ppm1 8.344 ppm2 4.554 CV 1
ASSI { 38}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
2.700 0.900 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.36624E-02 ppm1 8.261 ppm2 4.400 CV 1
ASSI { 39}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA ))
2.700 0.900 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.27343E-02 ppm1 8.262 ppm2 4.043 CV 1
ASSI { 40}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 7 and name HA ))
3.700 1.800 1.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.22178E-03 ppm1 8.260 ppm2 4.466 CV 1
ASSI { 41}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 7 and name HB2 ))
3.500 1.500 1.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.11422E-02 ppm1 8.260 ppm2 4.215 CV 1
ASSI { 44}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA ))
2.300 0.600 0.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.79431E-02 ppm1 8.245 ppm2 3.974 CV 1
ASSI { 49}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 9 and name HA ))
2.900 1.000 1.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.17754E-02 ppm1 8.155 ppm2 4.040 CV 1
ASSI { 55}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB1 ))
2.400 0.700 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.44952E-02 ppm1 8.131 ppm2 3.968 CV 1
ASSI { 62}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 2 and name HA ))
3.800 1.800 1.800 peak 62 spectrum 1 weight 0.10000E+01 volume 0.21775E-03 ppm1 8.034 ppm2 4.723 CV 1
ASSI { 66}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 13 and name HA ))
3.800 1.800 1.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.41488E-03 ppm1 7.926 ppm2 4.469 CV 1
ASSI { 69}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA ))
2.700 0.900 0.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.29480E-02 ppm1 7.871 ppm2 4.612 CV 1
ASSI { 70}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA ))
2.600 0.800 0.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.47778E-02 ppm1 7.874 ppm2 4.505 CV 1
ASSI { 72}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 14 and name HA ))
4.200 2.200 1.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.31031E-03 ppm1 7.844 ppm2 4.378 CV 1
ASSI { 74}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 12 and name HA ))
2.900 1.000 1.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.15740E-02 ppm1 7.844 ppm2 4.092 CV 1
ASSI { 82}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
2.500 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.37763E-02 ppm1 7.728 ppm2 4.067 CV 1
ASSI { 85}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 7 and name HB2 ))
4.000 2.000 2.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.43736E-03 ppm1 7.730 ppm2 4.211 CV 1
ASSI { 86}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB1 ))
2.700 0.900 0.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.16680E-02 ppm1 8.428 ppm2 2.071 CV 1
ASSI { 87}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB2 ))
3.500 1.500 1.500 peak 87 spectrum 1 weight 0.10000E+01 volume 0.15412E-02 ppm1 8.428 ppm2 2.131 CV 1
ASSI { 90}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB1 ))
2.200 0.600 0.600 peak 90 spectrum 1 weight 0.10000E+01 volume 0.71771E-02 ppm1 8.370 ppm2 2.826 CV 1
ASSI { 92}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB1 ))
2.400 0.700 0.700 peak 92 spectrum 1 weight 0.10000E+01 volume 0.44216E-02 ppm1 8.346 ppm2 3.187 CV 1
OR { 92}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB2 ))
ASSI { 96}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.900 1.000 1.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.18691E-02 ppm1 8.292 ppm2 2.858 CV 1
ASSI { 102}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HB2 ))
3.300 1.400 1.400 peak 102 spectrum 1 weight 0.10000E+01 volume 0.73071E-03 ppm1 8.243 ppm2 3.221 CV 1
ASSI { 113}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 10 and name HB2 ))
2.700 0.900 0.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.56493E-02 ppm1 8.131 ppm2 2.130 CV 1
ASSI { 117}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB2 ))
3.300 1.400 1.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.16218E-02 ppm1 8.034 ppm2 3.352 CV 1
ASSI { 118}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB1 ))
3.900 1.900 1.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.82377E-03 ppm1 8.036 ppm2 2.931 CV 1
ASSI { 119}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 6 and name HG2 ))
3.900 1.900 1.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.35120E-03 ppm1 8.034 ppm2 2.444 CV 1
ASSI { 120}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 6 and name HG1 ))
4.300 2.400 1.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.23894E-03 ppm1 8.032 ppm2 2.324 CV 1
ASSI { 124}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HG2 ))
3.200 1.200 1.200 peak 124 spectrum 1 weight 0.10000E+01 volume 0.11119E-02 ppm1 7.872 ppm2 2.440 CV 1
ASSI { 125}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HG1 ))
3.500 1.500 1.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.80751E-03 ppm1 7.874 ppm2 2.328 CV 1
ASSI { 126}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB2 ))
3.100 1.200 1.200 peak 126 spectrum 1 weight 0.10000E+01 volume 0.10003E-02 ppm1 7.875 ppm2 2.061 CV 1
ASSI { 128}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB1 ))
2.900 1.000 1.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.12212E-02 ppm1 7.844 ppm2 2.834 CV 1
ASSI { 131}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB1 ))
3.200 1.300 1.300 peak 131 spectrum 1 weight 0.10000E+01 volume 0.14988E-02 ppm1 7.828 ppm2 2.738 CV 1
ASSI { 137}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 11 and name HB1 ))
4.500 2.500 1.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.29915E-03 ppm1 7.793 ppm2 3.113 CV 1
OR { 137}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 140}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB1 ))
3.700 1.700 1.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.10434E-02 ppm1 7.738 ppm2 3.120 CV 1
ASSI { 141}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB1 ))
2.400 0.700 0.700 peak 141 spectrum 1 weight 0.10000E+01 volume 0.45601E-02 ppm1 7.730 ppm2 2.076 CV 1
ASSI { 143}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG1 ))
3.500 1.500 1.500 peak 143 spectrum 1 weight 0.10000E+01 volume 0.17131E-02 ppm1 7.731 ppm2 2.523 CV 1
OR { 143}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG2 ))
ASSI { 150}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 19 and name HG1%)
6.000 6.000 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.90966E-05 ppm1 8.290 ppm2 0.701 CV 1
ASSI { 153}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB1 ))
2.300 0.700 0.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.53914E-02 ppm1 8.261 ppm2 1.627 CV 1
OR { 153}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 155}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HB1 ))
4.100 2.100 1.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.50274E-03 ppm1 8.259 ppm2 2.074 CV 1
ASSI { 158}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 22 and name HG2%)
3.200 1.300 1.300 peak 158 spectrum 1 weight 0.10000E+01 volume 0.88411E-03 ppm1 8.246 ppm2 0.800 CV 1
ASSI { 159}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB1 ))
2.900 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.16071E-02 ppm1 8.129 ppm2 1.769 CV 1
ASSI { 160}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 22 and name HG2%)
3.900 1.900 1.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.36469E-03 ppm1 8.127 ppm2 0.800 CV 1
OR { 160}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 22 and name HG1%)
ASSI { 162}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 19 and name HG1%)
3.800 1.800 1.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.34081E-03 ppm1 8.128 ppm2 0.704 CV 1
ASSI { 164}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HG12))
3.400 1.500 1.500 peak 164 spectrum 1 weight 0.10000E+01 volume 0.37895E-03 ppm1 8.122 ppm2 1.334 CV 1
ASSI { 165}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 19 and name HB ))
4.100 2.100 1.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.23393E-03 ppm1 8.130 ppm2 1.910 CV 1
ASSI { 167}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB ))
3.100 1.200 1.200 peak 167 spectrum 1 weight 0.10000E+01 volume 0.15903E-02 ppm1 7.943 ppm2 1.914 CV 1
ASSI { 179}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB1 ))
2.600 0.800 0.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.38117E-02 ppm1 7.873 ppm2 1.769 CV 1
ASSI { 181}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HG2%)
2.500 0.800 0.800 peak 181 spectrum 1 weight 0.10000E+01 volume 0.31903E-02 ppm1 7.835 ppm2 0.792 CV 1
ASSI { 183}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 17 and name HG2 ))
4.300 2.300 1.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.10415E-03 ppm1 7.834 ppm2 1.338 CV 1
ASSI { 184}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 17 and name HB1 ))
3.700 3.700 2.300 peak 184 spectrum 1 weight 0.10000E+01 volume 0.25987E-03 ppm1 7.833 ppm2 1.722 CV 1
ASSI { 185}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 9 and name HD1%)
5.800 4.200 0.200 peak 185 spectrum 1 weight 0.10000E+01 volume 0.31425E-04 ppm1 7.794 ppm2 0.851 CV 1
ASSI { 187}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 9 and name HG ))
5.600 4.000 0.400 peak 187 spectrum 1 weight 0.10000E+01 volume 0.33492E-04 ppm1 7.789 ppm2 1.531 CV 1
ASSI { 188}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 9 and name HB1 ))
5.400 3.700 0.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.38557E-04 ppm1 7.793 ppm2 1.616 CV 1
OR { 188}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 191}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 20 and name HG2%)
3.400 1.400 1.400 peak 191 spectrum 1 weight 0.10000E+01 volume 0.41793E-03 ppm1 7.740 ppm2 0.760 CV 1
ASSI { 193}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB1 ))
3.000 1.100 1.100 peak 193 spectrum 1 weight 0.10000E+01 volume 0.11786E-02 ppm1 7.730 ppm2 1.627 CV 1
OR { 193}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 194}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 9 and name HD2%)
6.000 4.800 0.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.33130E-04 ppm1 7.730 ppm2 0.905 CV 1
ASSI { 195}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 9 and name HD1%)
6.000 5.000 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.39022E-04 ppm1 7.728 ppm2 0.851 CV 1
ASSI { 205}
(( segid " " and resid 13 and name HD22))
(( segid " " and resid 9 and name HB1 ))
4.400 2.400 1.600 peak 205 spectrum 1 weight 0.10000E+01 volume 0.21372E-03 ppm1 7.358 ppm2 1.623 CV 1
ASSI { 206}
(( segid " " and resid 13 and name HD21))
( segid " " and resid 9 and name HD1%)
4.900 3.000 1.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.18555E-03 ppm1 6.806 ppm2 0.845 CV 1
ASSI { 219}
(( segid " " and resid 14 and name HZ ))
(( segid " " and resid 14 and name HB2 ))
3.000 3.000 3.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.19512E-02 ppm1 7.371 ppm2 3.190 CV 1
OR { 219}
(( segid " " and resid 14 and name HZ ))
(( segid " " and resid 14 and name HB1 ))
ASSI { 224}
( segid " " and resid 14 and name HD% )
( segid " " and resid 6 and name HE% )
2.500 0.800 0.800 peak 224 spectrum 1 weight 0.10000E+01 volume 0.15457E-02 ppm1 7.298 ppm2 1.713 CV 1
OR { 224}
( segid " " and resid 14 and name HE% )
( segid " " and resid 6 and name HE% )
ASSI { 225}
(( segid " " and resid 14 and name HZ ))
( segid " " and resid 6 and name HE% )
3.300 1.300 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.79847E-03 ppm1 7.372 ppm2 1.712 CV 1
ASSI { 227}
(( segid " " and resid 21 and name HE3 ))
(( segid " " and resid 21 and name HB2 ))
2.700 0.900 0.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.23377E-02 ppm1 7.570 ppm2 3.214 CV 1
ASSI { 228}
(( segid " " and resid 21 and name HE3 ))
(( segid " " and resid 21 and name HB1 ))
3.900 1.900 1.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.13623E-02 ppm1 7.564 ppm2 3.135 CV 1
ASSI { 230}
(( segid " " and resid 21 and name HE3 ))
( segid " " and resid 20 and name HG2%)
4.000 2.000 2.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.14203E-03 ppm1 7.563 ppm2 0.757 CV 1
ASSI { 234}
(( segid " " and resid 21 and name HD1 ))
( segid " " and resid 20 and name HG2%)
3.900 1.900 1.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.24390E-03 ppm1 7.163 ppm2 0.759 CV 1
ASSI { 236}
(( segid " " and resid 21 and name HZ3 ))
( segid " " and resid 19 and name HG2%)
4.000 2.000 2.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.26447E-03 ppm1 7.094 ppm2 0.797 CV 1
ASSI { 245}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HN ))
3.000 1.200 1.200 peak 245 spectrum 1 weight 0.10000E+01 volume 0.14416E-02 ppm1 8.037 ppm2 8.753 CV 1
ASSI { 246}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HN ))
2.900 1.100 1.100 peak 246 spectrum 1 weight 0.10000E+01 volume 0.15819E-02 ppm1 7.872 ppm2 8.752 CV 1
ASSI { 252}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HN ))
3.300 1.400 1.400 peak 252 spectrum 1 weight 0.10000E+01 volume 0.12148E-02 ppm1 8.638 ppm2 8.864 CV 1
ASSI { 253}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 8 and name HN ))
2.900 1.100 1.100 peak 253 spectrum 1 weight 0.10000E+01 volume 0.17779E-02 ppm1 8.135 ppm2 8.715 CV 1
ASSI { 259}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HN ))
2.200 0.600 0.600 peak 259 spectrum 1 weight 0.10000E+01 volume 0.58705E-02 ppm1 7.845 ppm2 8.369 CV 1
ASSI { 265}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
2.600 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.36304E-02 ppm1 7.927 ppm2 8.290 CV 1
ASSI { 266}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
2.600 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.29293E-02 ppm1 7.836 ppm2 8.290 CV 1
ASSI { 271}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HN ))
3.000 1.200 1.200 peak 271 spectrum 1 weight 0.10000E+01 volume 0.14546E-02 ppm1 7.927 ppm2 8.365 CV 1
ASSI { 274}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
2.600 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.32000E-02 ppm1 7.735 ppm2 8.125 CV 1
ASSI { 281}
(( segid " " and resid 23 and name HD21))
(( segid " " and resid 23 and name HD22))
1.900 0.400 0.400 peak 281 spectrum 1 weight 0.10000E+01 volume 0.13582E-01 ppm1 6.836 ppm2 7.482 CV 1
ASSI { 282}
(( segid " " and resid 13 and name HD21))
(( segid " " and resid 13 and name HD22))
1.900 0.400 0.400 peak 282 spectrum 1 weight 0.10000E+01 volume 0.12776E-01 ppm1 6.806 ppm2 7.356 CV 1
ASSI { 284}
(( segid " " and resid 25 and name HD22))
(( segid " " and resid 25 and name HD21))
1.900 0.400 0.400 peak 284 spectrum 1 weight 0.10000E+01 volume 0.14119E-01 ppm1 7.478 ppm2 6.798 CV 1
ASSI { 296}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 2 and name HA ))
2.500 0.800 0.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.44536E-02 ppm1 3.824 ppm2 4.722 CV 1
OR { 296}
(( segid " " and resid 2 and name HB1 ))
(( segid " " and resid 2 and name HA ))
ASSI { 299}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HB1 ))
1.800 0.400 0.400 peak 299 spectrum 1 weight 0.10000E+01 volume 0.14943E-01 ppm1 4.207 ppm2 3.967 CV 1
ASSI { 301}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB ))
2.200 0.600 0.600 peak 301 spectrum 1 weight 0.10000E+01 volume 0.97345E-02 ppm1 4.110 ppm2 3.978 CV 1
ASSI { 302}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 12 and name HA ))
2.900 1.000 1.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.13075E-02 ppm1 3.310 ppm2 4.093 CV 1
ASSI { 305}
(( segid " " and resid 3 and name HB1 ))
(( segid " " and resid 3 and name HA ))
2.500 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.36668E-02 ppm1 2.921 ppm2 4.882 CV 1
ASSI { 316}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HA ))
2.700 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.29804E-02 ppm1 3.046 ppm2 4.502 CV 1
ASSI { 320}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HA ))
2.600 0.800 0.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.36388E-02 ppm1 3.196 ppm2 4.379 CV 1
OR { 320}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HA ))
ASSI { 325}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HA ))
2.100 0.600 0.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.10677E-01 ppm1 3.116 ppm2 4.560 CV 1
OR { 325}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 11 and name HA ))
ASSI { 327}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 17 and name HA ))
4.500 2.500 1.500 peak 327 spectrum 1 weight 0.10000E+01 volume 0.26628E-03 ppm1 2.751 ppm2 4.265 CV 1
ASSI { 328}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 17 and name HA ))
4.300 2.300 1.700 peak 328 spectrum 1 weight 0.10000E+01 volume 0.18612E-03 ppm1 2.858 ppm2 4.262 CV 1
ASSI { 339}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HB ))
2.200 0.600 0.600 peak 339 spectrum 1 weight 0.10000E+01 volume 0.71361E-02 ppm1 1.131 ppm2 3.972 CV 1
ASSI { 351}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 13 and name HA ))
3.600 1.600 1.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.64732E-03 ppm1 2.076 ppm2 4.464 CV 1
ASSI { 357}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 13 and name HB1 ))
2.200 0.600 0.600 peak 357 spectrum 1 weight 0.10000E+01 volume 0.70810E-02 ppm1 4.074 ppm2 2.744 CV 1
OR { 357}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 358}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 15 and name HB1 ))
2.900 1.000 1.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.17279E-02 ppm1 4.097 ppm2 2.822 CV 1
ASSI { 359}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG2 ))
2.800 1.000 1.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.17379E-02 ppm1 4.095 ppm2 2.610 CV 1
ASSI { 364}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 12 and name HG2 ))
3.600 1.600 1.600 peak 364 spectrum 1 weight 0.10000E+01 volume 0.11716E-02 ppm1 4.046 ppm2 2.621 CV 1
ASSI { 369}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 15 and name HB2 ))
1.900 0.500 0.500 peak 369 spectrum 1 weight 0.10000E+01 volume 0.10750E-01 ppm1 2.836 ppm2 3.135 CV 1
ASSI { 371}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HB1 ))
2.100 0.500 0.500 peak 371 spectrum 1 weight 0.10000E+01 volume 0.83882E-02 ppm1 3.048 ppm2 2.802 CV 1
ASSI { 379}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 10 and name HG2 ))
2.600 0.900 0.900 peak 379 spectrum 1 weight 0.10000E+01 volume 0.29746E-02 ppm1 2.333 ppm2 2.525 CV 1
OR { 379}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 10 and name HG1 ))
ASSI { 380}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 11 and name HB1 ))
2.700 0.900 0.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.29670E-02 ppm1 2.536 ppm2 3.110 CV 1
OR { 380}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 381}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 11 and name HB1 ))
3.100 1.200 1.200 peak 381 spectrum 1 weight 0.10000E+01 volume 0.14299E-02 ppm1 2.619 ppm2 3.107 CV 1
ASSI { 384}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HG1 ))
2.400 0.700 0.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.64354E-02 ppm1 1.758 ppm2 2.325 CV 1
ASSI { 385}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HG2 ))
2.500 0.800 0.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.32764E-02 ppm1 1.771 ppm2 2.442 CV 1
ASSI { 386}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HG1 ))
2.200 0.600 0.600 peak 386 spectrum 1 weight 0.10000E+01 volume 0.10599E-01 ppm1 2.125 ppm2 2.521 CV 1
OR { 386}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HG2 ))
ASSI { 387}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HG2 ))
2.600 0.800 0.800 peak 387 spectrum 1 weight 0.10000E+01 volume 0.63758E-02 ppm1 2.132 ppm2 2.615 CV 1
ASSI { 390}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 11 and name HB2 ))
3.000 1.100 1.100 peak 390 spectrum 1 weight 0.10000E+01 volume 0.17166E-02 ppm1 1.778 ppm2 3.111 CV 1
OR { 390}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 11 and name HB1 ))
ASSI { 400}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG11))
2.700 0.900 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.22789E-02 ppm1 4.106 ppm2 1.076 CV 1
ASSI { 403}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 19 and name HG1%)
4.100 2.100 1.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.23548E-03 ppm1 4.102 ppm2 0.702 CV 1
ASSI { 408}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
2.200 0.600 0.600 peak 408 spectrum 1 weight 0.10000E+01 volume 0.71047E-02 ppm1 4.042 ppm2 1.634 CV 1
OR { 408}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB1 ))
ASSI { 410}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HB ))
3.800 1.800 1.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.94437E-03 ppm1 4.021 ppm2 1.728 CV 1
ASSI { 411}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB1 ))
2.300 0.700 0.700 peak 411 spectrum 1 weight 0.10000E+01 volume 0.48051E-02 ppm1 4.091 ppm2 2.065 CV 1
ASSI { 416}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 6 and name HB1 ))
3.000 1.200 1.200 peak 416 spectrum 1 weight 0.10000E+01 volume 0.17089E-02 ppm1 3.352 ppm2 1.767 CV 1
ASSI { 417}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 10 and name HB1 ))
3.300 1.300 1.300 peak 417 spectrum 1 weight 0.10000E+01 volume 0.14685E-02 ppm1 3.114 ppm2 2.064 CV 1
OR { 417}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 10 and name HB1 ))
ASSI { 418}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 12 and name HB2 ))
4.400 2.400 1.600 peak 418 spectrum 1 weight 0.10000E+01 volume 0.32831E-03 ppm1 3.110 ppm2 2.141 CV 1
OR { 418}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 424}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 12 and name HB1 ))
2.400 0.700 0.700 peak 424 spectrum 1 weight 0.10000E+01 volume 0.85054E-02 ppm1 2.541 ppm2 2.070 CV 1
ASSI { 425}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 12 and name HB2 ))
2.100 0.600 0.600 peak 425 spectrum 1 weight 0.10000E+01 volume 0.70842E-02 ppm1 2.540 ppm2 2.146 CV 1
ASSI { 430}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 22 and name HG2%)
3.700 1.700 1.700 peak 430 spectrum 1 weight 0.10000E+01 volume 0.53319E-03 ppm1 3.203 ppm2 0.795 CV 1
OR { 430}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 22 and name HG1%)
ASSI { 431}
(( segid " " and resid 21 and name HB1 ))
( segid " " and resid 22 and name HG2%)
3.700 1.700 1.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.71963E-03 ppm1 3.131 ppm2 0.794 CV 1
OR { 431}
(( segid " " and resid 21 and name HB1 ))
( segid " " and resid 22 and name HG1%)
ASSI { 433}
(( segid " " and resid 23 and name HB2 ))
( segid " " and resid 22 and name HG2%)
3.800 1.800 1.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.25904E-03 ppm1 2.751 ppm2 0.799 CV 1
ASSI { 435}
(( segid " " and resid 18 and name HB1 ))
( segid " " and resid 20 and name HD1%)
4.700 2.800 1.300 peak 435 spectrum 1 weight 0.10000E+01 volume 0.91171E-04 ppm1 2.740 ppm2 0.756 CV 1
ASSI { 439}
(( segid " " and resid 21 and name HB2 ))
( segid " " and resid 19 and name HG1%)
5.500 3.800 0.500 peak 439 spectrum 1 weight 0.10000E+01 volume 0.37626E-04 ppm1 3.204 ppm2 0.699 CV 1
ASSI { 442}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 19 and name HG1%)
5.600 3.900 0.400 peak 442 spectrum 1 weight 0.10000E+01 volume 0.40986E-04 ppm1 2.855 ppm2 0.704 CV 1
ASSI { 443}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 19 and name HG2%)
3.600 1.600 1.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.70894E-03 ppm1 2.869 ppm2 0.791 CV 1
ASSI { 444}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 20 and name HD1%)
3.800 3.800 2.200 peak 444 spectrum 1 weight 0.10000E+01 volume 0.29336E-03 ppm1 2.873 ppm2 0.758 CV 1
ASSI { 448}
(( segid " " and resid 20 and name HB ))
( segid " " and resid 20 and name HG2%)
2.200 0.600 0.600 peak 448 spectrum 1 weight 0.10000E+01 volume 0.66788E-02 ppm1 1.733 ppm2 0.756 CV 1
ASSI { 463}
(( segid " " and resid 20 and name HG11))
( segid " " and resid 20 and name HD1%)
2.000 0.500 0.500 peak 463 spectrum 1 weight 0.10000E+01 volume 0.11984E-01 ppm1 1.074 ppm2 0.767 CV 1
OR { 463}
(( segid " " and resid 20 and name HG11))
( segid " " and resid 20 and name HG2%)
ASSI { 464}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 14 and name HB1 ))
2.600 2.600 3.400 peak 464 spectrum 1 weight 0.10000E+01 volume 0.66609E-02 ppm1 3.176 ppm2 4.560 CV 1
OR { 464}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 14 and name HB2 ))
ASSI { 466}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 3 and name HB1 ))
3.100 1.200 1.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.13071E-02 ppm1 2.327 ppm2 2.928 CV 1
ASSI { 467}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB2 ))
2.500 2.500 3.500 peak 467 spectrum 1 weight 0.10000E+01 volume 0.46886E-02 ppm1 8.131 ppm2 2.056 CV 1
ASSI { 468}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 6 and name HG2 ))
6.000 4.500 0.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.20209E-04 ppm1 8.427 ppm2 2.437 CV 1
ASSI { 470}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 15 and name HB1 ))
3.800 1.800 1.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.28536E-03 ppm1 7.294 ppm2 2.827 CV 1
ASSI { 471}
(( segid " " and resid 3 and name HB1 ))
(( segid " " and resid 4 and name HA ))
4.300 2.300 1.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.28876E-03 ppm1 2.935 ppm2 4.103 CV 1
ASSI { 473}
( segid " " and resid 6 and name HE% )
(( segid " " and resid 6 and name HG2 ))
2.700 0.900 0.900 peak 473 spectrum 1 weight 0.10000E+01 volume 0.32600E-02 ppm1 1.716 ppm2 2.442 CV 1
ASSI { 474}
( segid " " and resid 6 and name HE% )
(( segid " " and resid 6 and name HG1 ))
2.500 0.800 0.800 peak 474 spectrum 1 weight 0.10000E+01 volume 0.28999E-02 ppm1 1.715 ppm2 2.327 CV 1
ASSI { 475}
( segid " " and resid 6 and name HE% )
(( segid " " and resid 6 and name HB2 ))
2.400 0.700 0.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.36579E-02 ppm1 1.717 ppm2 2.056 CV 1
ASSI { 477}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 2 and name HB2 ))
4.700 2.700 1.300 peak 477 spectrum 1 weight 0.10000E+01 volume 0.60213E-04 ppm1 1.138 ppm2 3.822 CV 1
OR { 477}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 2 and name HB1 ))
ASSI { 479}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 3 and name HA ))
4.900 3.000 1.100 peak 479 spectrum 1 weight 0.10000E+01 volume 0.83107E-04 ppm1 2.444 ppm2 4.877 CV 1
ASSI { 480}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 3 and name HA ))
6.000 4.700 0.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.31425E-04 ppm1 2.333 ppm2 4.885 CV 1
ASSI { 482}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 6 and name HG1 ))
3.000 1.100 1.100 peak 482 spectrum 1 weight 0.10000E+01 volume 0.19721E-02 ppm1 2.326 ppm2 3.098 CV 1
OR { 482}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 6 and name HG1 ))
ASSI { 484}
( segid " " and resid 6 and name HE% )
(( segid " " and resid 14 and name HB1 ))
2.700 0.900 0.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.24296E-02 ppm1 1.715 ppm2 3.186 CV 1
OR { 484}
( segid " " and resid 6 and name HE% )
(( segid " " and resid 14 and name HB2 ))
ASSI { 485}
( segid " " and resid 6 and name HE% )
(( segid " " and resid 11 and name HB2 ))
3.500 1.500 1.500 peak 485 spectrum 1 weight 0.10000E+01 volume 0.86989E-03 ppm1 1.718 ppm2 3.115 CV 1
OR { 485}
( segid " " and resid 6 and name HE% )
(( segid " " and resid 11 and name HB1 ))
ASSI { 502}
( segid " " and resid 12 and name HE% )
(( segid " " and resid 9 and name HA ))
3.300 1.300 1.300 peak 502 spectrum 1 weight 0.10000E+01 volume 0.63629E-03 ppm1 2.001 ppm2 4.043 CV 1
ASSI { 503}
( segid " " and resid 12 and name HE% )
( segid " " and resid 9 and name HD1%)
3.300 1.400 1.400 peak 503 spectrum 1 weight 0.10000E+01 volume 0.52419E-03 ppm1 1.998 ppm2 0.857 CV 1
ASSI { 504}
(( segid " " and resid 9 and name HG ))
( segid " " and resid 12 and name HE% )
3.600 1.600 1.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.70516E-03 ppm1 1.540 ppm2 2.000 CV 1
ASSI { 505}
(( segid " " and resid 9 and name HB2 ))
( segid " " and resid 12 and name HE% )
4.400 2.400 1.600 peak 505 spectrum 1 weight 0.10000E+01 volume 0.25429E-03 ppm1 1.617 ppm2 1.999 CV 1
OR { 505}
(( segid " " and resid 9 and name HB1 ))
( segid " " and resid 12 and name HE% )
ASSI { 512}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HB2 ))
2.300 0.600 0.600 peak 512 spectrum 1 weight 0.10000E+01 volume 0.61629E-02 ppm1 2.334 ppm2 2.065 CV 1
Contact the webmaster for help, if required. Monday, April 29, 2024 4:43:52 PM GMT (wattos1)