NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
520182 |
2ldf   |
17662 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB2 ))
2.900 1.000 1.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.27774E-02 ppm1 8.891 ppm2 3.776 CV 1
OR { 1}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB1 ))
ASSI { 2}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HA ))
2.200 0.600 0.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.11766E-01 ppm1 8.891 ppm2 4.319 CV 1
ASSI { 3}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HB1 ))
2.700 0.900 0.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.32626E-02 ppm1 8.890 ppm2 3.272 CV 1
ASSI { 4}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HB2 ))
2.900 1.000 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.46536E-02 ppm1 8.891 ppm2 3.318 CV 1
ASSI { 6}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HA ))
2.700 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.35225E-02 ppm1 8.399 ppm2 4.800 CV 1
ASSI { 7}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB1 ))
2.500 0.800 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.61383E-02 ppm1 8.397 ppm2 2.767 CV 1
ASSI { 8}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB2 ))
3.000 1.100 1.100 peak 8 spectrum 1 weight 0.10000E+01 volume 0.28039E-02 ppm1 8.399 ppm2 3.169 CV 1
ASSI { 9}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB1 ))
3.000 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.36584E-02 ppm1 8.401 ppm2 3.773 CV 1
OR { 9}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB2 ))
ASSI { 10}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HN ))
3.500 1.500 1.500 peak 10 spectrum 1 weight 0.10000E+01 volume 0.10521E-02 ppm1 8.399 ppm2 8.884 CV 1
ASSI { 11}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 4 and name HN ))
3.500 1.600 1.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.15070E-02 ppm1 8.397 ppm2 8.723 CV 1
ASSI { 12}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
2.700 0.900 0.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.38978E-02 ppm1 8.728 ppm2 4.587 CV 1
ASSI { 13}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB2 ))
2.400 0.700 0.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.71662E-02 ppm1 8.728 ppm2 2.763 CV 1
OR { 13}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB1 ))
ASSI { 14}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HD21))
4.300 2.300 1.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.24331E-03 ppm1 8.736 ppm2 6.875 CV 1
ASSI { 15}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HD22))
4.900 3.000 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.19088E-03 ppm1 8.725 ppm2 7.571 CV 1
ASSI { 16}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 2 and name HA ))
3.700 3.700 2.300 peak 16 spectrum 1 weight 0.10000E+01 volume 0.29020E-03 ppm1 8.731 ppm2 4.656 CV 1
ASSI { 17}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
2.200 0.600 0.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.10740E-01 ppm1 8.729 ppm2 4.798 CV 1
ASSI { 18}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB2 ))
2.800 1.000 1.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.28110E-02 ppm1 8.729 ppm2 3.167 CV 1
ASSI { 21}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA ))
3.000 1.100 1.100 peak 21 spectrum 1 weight 0.10000E+01 volume 0.19061E-02 ppm1 8.162 ppm2 4.147 CV 1
ASSI { 22}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB ))
2.800 1.000 1.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.51325E-02 ppm1 8.162 ppm2 1.896 CV 1
ASSI { 23}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HG12))
2.600 0.900 0.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.22604E-02 ppm1 8.163 ppm2 1.325 CV 1
ASSI { 24}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HG11))
2.800 1.000 1.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.45777E-02 ppm1 8.163 ppm2 1.170 CV 1
ASSI { 25}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 6 and name HG2%)
2.500 0.800 0.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.48063E-02 ppm1 8.163 ppm2 0.881 CV 1
ASSI { 26}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 6 and name HD1%)
4.400 2.400 1.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.70734E-03 ppm1 8.160 ppm2 0.806 CV 1
ASSI { 27}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
2.600 0.800 0.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.46491E-02 ppm1 8.095 ppm2 4.655 CV 1
ASSI { 28}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB2 ))
2.700 0.900 0.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.39124E-02 ppm1 8.093 ppm2 2.846 CV 1
ASSI { 29}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HD21))
3.500 1.500 1.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.60603E-03 ppm1 8.095 ppm2 6.917 CV 1
ASSI { 30}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HD22))
3.600 1.600 1.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.86313E-03 ppm1 8.094 ppm2 7.621 CV 1
ASSI { 31}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
2.700 0.900 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.39169E-02 ppm1 8.093 ppm2 4.147 CV 1
ASSI { 34}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
2.500 0.800 0.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.53868E-02 ppm1 8.265 ppm2 4.153 CV 1
ASSI { 35}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB1 ))
2.100 0.500 0.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.13201E-01 ppm1 8.265 ppm2 2.089 CV 1
OR { 35}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB2 ))
ASSI { 36}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG2 ))
3.200 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.35535E-02 ppm1 8.265 ppm2 2.446 CV 1
OR { 36}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG1 ))
ASSI { 37}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HB2 ))
3.900 1.900 1.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.12057E-02 ppm1 8.262 ppm2 3.135 CV 1
ASSI { 38}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HN ))
2.600 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.36731E-02 ppm1 8.267 ppm2 7.698 CV 1
ASSI { 39}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
2.500 0.800 0.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.39364E-02 ppm1 7.703 ppm2 4.257 CV 1
ASSI { 40}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB1 ))
2.300 0.600 0.600 peak 40 spectrum 1 weight 0.10000E+01 volume 0.82555E-02 ppm1 7.703 ppm2 3.070 CV 1
ASSI { 41}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB2 ))
2.200 0.600 0.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.10535E-01 ppm1 7.703 ppm2 3.145 CV 1
ASSI { 42}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 3 and name HB1 ))
4.500 2.500 1.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.34211E-03 ppm1 7.701 ppm2 2.769 CV 1
ASSI { 43}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
3.200 1.300 1.300 peak 43 spectrum 1 weight 0.10000E+01 volume 0.13920E-02 ppm1 7.702 ppm2 4.152 CV 1
ASSI { 44}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HG2 ))
3.600 1.600 1.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.89424E-03 ppm1 7.702 ppm2 2.450 CV 1
OR { 44}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HG1 ))
ASSI { 45}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB1 ))
2.700 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.30297E-02 ppm1 7.702 ppm2 2.091 CV 1
OR { 45}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB2 ))
ASSI { 47}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HN ))
2.700 0.900 0.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.29257E-02 ppm1 7.702 ppm2 8.129 CV 1
ASSI { 49}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
2.300 0.700 0.700 peak 49 spectrum 1 weight 0.10000E+01 volume 0.66482E-02 ppm1 8.133 ppm2 4.137 CV 1
ASSI { 50}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB1 ))
2.500 0.800 0.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.44543E-02 ppm1 8.133 ppm2 1.895 CV 1
ASSI { 51}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB2 ))
3.100 1.200 1.200 peak 51 spectrum 1 weight 0.10000E+01 volume 0.34977E-02 ppm1 8.133 ppm2 2.000 CV 1
ASSI { 52}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG1 ))
2.200 0.600 0.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.80981E-02 ppm1 8.133 ppm2 2.472 CV 1
OR { 52}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG2 ))
ASSI { 53}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB1 ))
2.400 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.36263E-02 ppm1 8.133 ppm2 3.072 CV 1
ASSI { 54}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB2 ))
3.600 1.600 1.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.27315E-02 ppm1 8.131 ppm2 3.151 CV 1
ASSI { 57}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
2.300 0.700 0.700 peak 57 spectrum 1 weight 0.10000E+01 volume 0.59656E-02 ppm1 7.819 ppm2 4.250 CV 1
ASSI { 58}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB2 ))
1.900 0.500 0.500 peak 58 spectrum 1 weight 0.10000E+01 volume 0.16206E-01 ppm1 7.820 ppm2 2.927 CV 1
OR { 58}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB1 ))
ASSI { 60}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 10 and name HB1 ))
4.500 2.600 1.500 peak 60 spectrum 1 weight 0.10000E+01 volume 0.27986E-03 ppm1 7.818 ppm2 2.092 CV 1
OR { 60}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 10 and name HB2 ))
ASSI { 61}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
2.900 1.100 1.100 peak 61 spectrum 1 weight 0.10000E+01 volume 0.20515E-02 ppm1 7.819 ppm2 4.136 CV 1
ASSI { 62}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB1 ))
3.600 1.600 1.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.22614E-02 ppm1 7.820 ppm2 1.899 CV 1
ASSI { 63}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG1 ))
2.600 0.900 0.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.17501E-02 ppm1 7.819 ppm2 2.470 CV 1
OR { 63}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG2 ))
ASSI { 64}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HN ))
2.600 0.800 0.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.38805E-02 ppm1 7.819 ppm2 8.129 CV 1
ASSI { 65}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HN ))
2.800 1.000 1.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.15825E-02 ppm1 7.820 ppm2 7.973 CV 1
ASSI { 66}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 15 and name HN ))
3.500 1.500 1.500 peak 66 spectrum 1 weight 0.10000E+01 volume 0.69553E-03 ppm1 7.826 ppm2 8.298 CV 1
ASSI { 67}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 15 and name HN ))
4.500 2.600 1.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.17149E-03 ppm1 6.780 ppm2 8.288 CV 1
ASSI { 69}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 14 and name HN ))
2.800 1.000 1.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.15545E-02 ppm1 6.781 ppm2 7.974 CV 1
ASSI { 70}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 13 and name HN ))
3.300 1.400 1.400 peak 70 spectrum 1 weight 0.10000E+01 volume 0.14306E-02 ppm1 6.779 ppm2 7.816 CV 1
ASSI { 71}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 14 and name HN ))
3.700 3.700 2.300 peak 71 spectrum 1 weight 0.10000E+01 volume 0.27080E-03 ppm1 6.688 ppm2 7.969 CV 1
ASSI { 73}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
2.300 0.600 0.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.66947E-02 ppm1 7.973 ppm2 4.265 CV 1
ASSI { 74}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB2 ))
3.000 1.100 1.100 peak 74 spectrum 1 weight 0.10000E+01 volume 0.46706E-02 ppm1 7.975 ppm2 3.177 CV 1
ASSI { 75}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB1 ))
2.300 0.700 0.700 peak 75 spectrum 1 weight 0.10000E+01 volume 0.55724E-02 ppm1 7.975 ppm2 3.089 CV 1
ASSI { 77}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 12 and name HA ))
3.600 1.600 1.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.96991E-03 ppm1 7.974 ppm2 4.145 CV 1
ASSI { 78}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB1 ))
2.200 0.600 0.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.76620E-02 ppm1 7.974 ppm2 2.920 CV 1
OR { 78}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 81}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HN ))
2.300 0.700 0.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.59109E-02 ppm1 7.975 ppm2 8.303 CV 1
ASSI { 82}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 12 and name HN ))
3.300 1.300 1.300 peak 82 spectrum 1 weight 0.10000E+01 volume 0.13431E-02 ppm1 7.976 ppm2 8.121 CV 1
ASSI { 83}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 11 and name HN ))
3.700 1.700 1.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.58114E-03 ppm1 7.976 ppm2 7.710 CV 1
ASSI { 84}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 15 and name HN ))
3.400 1.400 1.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.94476E-03 ppm1 7.296 ppm2 8.301 CV 1
ASSI { 85}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 14 and name HN ))
2.300 0.700 0.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.23111E-02 ppm1 7.293 ppm2 7.974 CV 1
ASSI { 86}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 13 and name HN ))
3.400 1.400 1.400 peak 86 spectrum 1 weight 0.10000E+01 volume 0.62644E-03 ppm1 7.291 ppm2 7.815 CV 1
ASSI { 87}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 11 and name HN ))
3.400 1.400 1.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.59904E-03 ppm1 7.297 ppm2 7.699 CV 1
ASSI { 89}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 14 and name HN ))
3.400 1.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.88593E-03 ppm1 7.369 ppm2 7.985 CV 1
ASSI { 90}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 11 and name HN ))
4.000 2.000 2.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.59893E-03 ppm1 7.376 ppm2 7.702 CV 1
ASSI { 91}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 15 and name HN ))
3.300 1.400 1.400 peak 91 spectrum 1 weight 0.10000E+01 volume 0.51380E-03 ppm1 7.381 ppm2 8.295 CV 1
ASSI { 93}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB1 ))
2.300 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.71890E-02 ppm1 8.308 ppm2 2.951 CV 1
ASSI { 94}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB2 ))
2.200 0.600 0.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.84724E-02 ppm1 8.308 ppm2 3.184 CV 1
ASSI { 95}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 12 and name HA ))
3.000 1.100 1.100 peak 95 spectrum 1 weight 0.10000E+01 volume 0.23562E-02 ppm1 8.305 ppm2 4.128 CV 1
ASSI { 96}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 12 and name HG1 ))
3.300 3.300 2.700 peak 96 spectrum 1 weight 0.10000E+01 volume 0.53167E-03 ppm1 8.302 ppm2 2.462 CV 1
ASSI { 97}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
2.600 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.33626E-02 ppm1 8.307 ppm2 4.267 CV 1
ASSI { 98}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB1 ))
3.100 1.200 1.200 peak 98 spectrum 1 weight 0.10000E+01 volume 0.29267E-02 ppm1 8.308 ppm2 3.090 CV 1
ASSI { 101}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB1 ))
2.200 0.600 0.600 peak 101 spectrum 1 weight 0.10000E+01 volume 0.78621E-02 ppm1 8.017 ppm2 3.190 CV 1
ASSI { 102}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.000 1.100 1.100 peak 102 spectrum 1 weight 0.10000E+01 volume 0.37977E-02 ppm1 8.017 ppm2 3.256 CV 1
ASSI { 104}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 14 and name HA ))
4.200 2.200 1.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.31657E-03 ppm1 8.013 ppm2 4.262 CV 1
ASSI { 105}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB1 ))
2.700 2.700 3.300 peak 105 spectrum 1 weight 0.10000E+01 volume 0.18370E-02 ppm1 8.018 ppm2 2.948 CV 1
ASSI { 106}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HB1 ))
3.500 1.600 1.600 peak 106 spectrum 1 weight 0.10000E+01 volume 0.20403E-02 ppm1 8.013 ppm2 1.892 CV 1
ASSI { 107}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HG2 ))
5.400 3.600 0.600 peak 107 spectrum 1 weight 0.10000E+01 volume 0.24236E-03 ppm1 8.018 ppm2 2.198 CV 1
OR { 107}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 108}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HN ))
2.600 0.900 0.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.29858E-02 ppm1 8.017 ppm2 8.303 CV 1
ASSI { 109}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HN ))
2.400 0.700 0.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.37326E-02 ppm1 8.017 ppm2 8.125 CV 1
ASSI { 110}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 13 and name HN ))
3.300 3.300 2.700 peak 110 spectrum 1 weight 0.10000E+01 volume 0.51708E-03 ppm1 7.159 ppm2 7.825 CV 1
ASSI { 111}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 15 and name HN ))
4.500 2.500 1.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.21359E-03 ppm1 7.173 ppm2 8.303 CV 1
ASSI { 112}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HN ))
2.700 0.900 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.19445E-02 ppm1 7.170 ppm2 8.016 CV 1
ASSI { 113}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 17 and name HN ))
4.100 2.100 1.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.48579E-03 ppm1 7.174 ppm2 8.128 CV 1
ASSI { 114}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
2.800 1.000 1.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.25701E-02 ppm1 8.129 ppm2 4.214 CV 1
ASSI { 115}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB1 ))
2.200 0.600 0.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.78922E-02 ppm1 8.129 ppm2 1.895 CV 1
ASSI { 116}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB2 ))
2.500 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.44144E-02 ppm1 8.129 ppm2 2.015 CV 1
ASSI { 117}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG2 ))
3.300 1.400 1.400 peak 117 spectrum 1 weight 0.10000E+01 volume 0.30506E-02 ppm1 8.129 ppm2 2.195 CV 1
OR { 117}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 118}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
2.600 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.44660E-02 ppm1 8.129 ppm2 4.561 CV 1
ASSI { 119}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.000 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.26230E-02 ppm1 8.130 ppm2 3.259 CV 1
ASSI { 122}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB1 ))
2.900 1.000 1.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.32948E-02 ppm1 8.300 ppm2 2.722 CV 1
ASSI { 123}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.900 1.100 1.100 peak 123 spectrum 1 weight 0.10000E+01 volume 0.22523E-02 ppm1 8.301 ppm2 2.834 CV 1
ASSI { 124}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
3.000 1.100 1.100 peak 124 spectrum 1 weight 0.10000E+01 volume 0.24867E-02 ppm1 8.301 ppm2 4.213 CV 1
ASSI { 125}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB1 ))
3.100 1.200 1.200 peak 125 spectrum 1 weight 0.10000E+01 volume 0.94586E-03 ppm1 8.301 ppm2 1.895 CV 1
ASSI { 126}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB2 ))
3.600 1.600 1.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.20550E-02 ppm1 8.301 ppm2 2.013 CV 1
ASSI { 127}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG2 ))
3.600 1.600 1.600 peak 127 spectrum 1 weight 0.10000E+01 volume 0.95976E-03 ppm1 8.304 ppm2 2.195 CV 1
OR { 127}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 128}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 19 and name HG2%)
3.800 1.800 1.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.50437E-03 ppm1 8.305 ppm2 0.768 CV 1
ASSI { 129}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HN ))
2.400 0.700 0.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.69401E-02 ppm1 8.302 ppm2 8.127 CV 1
ASSI { 130}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HN ))
3.300 1.400 1.400 peak 130 spectrum 1 weight 0.10000E+01 volume 0.20606E-02 ppm1 8.301 ppm2 7.863 CV 1
ASSI { 131}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.900 1.100 1.100 peak 131 spectrum 1 weight 0.10000E+01 volume 0.20845E-02 ppm1 7.859 ppm2 4.018 CV 1
ASSI { 132}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB ))
2.600 0.900 0.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.44599E-02 ppm1 7.867 ppm2 1.894 CV 1
ASSI { 133}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HG1%)
3.500 1.500 1.500 peak 133 spectrum 1 weight 0.10000E+01 volume 0.11343E-02 ppm1 7.867 ppm2 0.688 CV 1
ASSI { 134}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HG2%)
2.500 0.800 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.40421E-02 ppm1 7.867 ppm2 0.776 CV 1
ASSI { 135}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 17 and name HG1 ))
4.000 2.000 2.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.18447E-03 ppm1 7.875 ppm2 2.195 CV 1
ASSI { 136}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
2.500 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.57728E-02 ppm1 7.870 ppm2 4.602 CV 1
ASSI { 137}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB1 ))
3.400 1.400 1.400 peak 137 spectrum 1 weight 0.10000E+01 volume 0.14014E-02 ppm1 7.872 ppm2 2.726 CV 1
ASSI { 138}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.800 1.800 1.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.10698E-02 ppm1 7.873 ppm2 2.833 CV 1
ASSI { 141}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
2.500 0.800 0.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.46358E-02 ppm1 7.982 ppm2 4.070 CV 1
ASSI { 142}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB ))
2.900 1.000 1.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.39182E-02 ppm1 7.982 ppm2 1.732 CV 1
ASSI { 143}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG11))
2.500 0.800 0.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.21290E-02 ppm1 7.982 ppm2 1.050 CV 1
ASSI { 144}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG12))
3.600 1.600 1.600 peak 144 spectrum 1 weight 0.10000E+01 volume 0.20317E-02 ppm1 7.982 ppm2 1.313 CV 1
ASSI { 145}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 20 and name HG2%)
2.800 1.000 1.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.30186E-02 ppm1 7.985 ppm2 0.745 CV 1
OR { 145}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 20 and name HD1%)
ASSI { 146}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
2.000 0.500 0.500 peak 146 spectrum 1 weight 0.10000E+01 volume 0.14090E-01 ppm1 7.983 ppm2 4.018 CV 1
ASSI { 147}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB ))
3.000 3.000 3.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.29072E-02 ppm1 7.983 ppm2 1.895 CV 1
ASSI { 148}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 19 and name HG1%)
3.100 1.200 1.200 peak 148 spectrum 1 weight 0.10000E+01 volume 0.18533E-02 ppm1 7.984 ppm2 0.691 CV 1
ASSI { 149}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HN ))
3.100 1.200 1.200 peak 149 spectrum 1 weight 0.10000E+01 volume 0.29438E-02 ppm1 7.975 ppm2 7.865 CV 1
ASSI { 150}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
2.600 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.39210E-02 ppm1 8.052 ppm2 4.610 CV 1
ASSI { 151}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB1 ))
3.500 1.500 1.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.22073E-02 ppm1 8.052 ppm2 3.131 CV 1
ASSI { 152}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB2 ))
2.900 1.000 1.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.18086E-02 ppm1 8.052 ppm2 3.201 CV 1
ASSI { 154}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HE3 ))
4.700 2.800 1.300 peak 154 spectrum 1 weight 0.10000E+01 volume 0.32423E-03 ppm1 8.050 ppm2 7.529 CV 1
ASSI { 155}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
2.900 1.100 1.100 peak 155 spectrum 1 weight 0.10000E+01 volume 0.22921E-02 ppm1 8.053 ppm2 4.071 CV 1
ASSI { 156}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB ))
3.000 3.000 3.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.25770E-02 ppm1 8.054 ppm2 1.730 CV 1
ASSI { 157}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HG11))
4.000 2.000 2.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.32000E-03 ppm1 8.051 ppm2 1.056 CV 1
ASSI { 158}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HG12))
4.700 2.800 1.300 peak 158 spectrum 1 weight 0.10000E+01 volume 0.57149E-03 ppm1 8.051 ppm2 1.314 CV 1
ASSI { 159}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 20 and name HD1%)
2.800 1.000 1.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.29202E-02 ppm1 8.052 ppm2 0.741 CV 1
OR { 159}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 20 and name HG2%)
ASSI { 160}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 21 and name HN ))
3.000 1.100 1.100 peak 160 spectrum 1 weight 0.10000E+01 volume 0.18155E-02 ppm1 7.162 ppm2 8.046 CV 1
ASSI { 161}
(( segid " " and resid 21 and name HE3 ))
(( segid " " and resid 22 and name HN ))
3.500 1.500 1.500 peak 161 spectrum 1 weight 0.10000E+01 volume 0.14306E-02 ppm1 7.534 ppm2 8.017 CV 1
ASSI { 162}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB1 ))
3.300 1.400 1.400 peak 162 spectrum 1 weight 0.10000E+01 volume 0.15328E-02 ppm1 8.011 ppm2 2.534 CV 1
ASSI { 163}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB2 ))
3.300 1.300 1.300 peak 163 spectrum 1 weight 0.10000E+01 volume 0.14331E-02 ppm1 8.011 ppm2 2.581 CV 1
ASSI { 164}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
2.100 0.500 0.500 peak 164 spectrum 1 weight 0.10000E+01 volume 0.15850E-01 ppm1 8.011 ppm2 4.607 CV 1
ASSI { 165}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
3.100 1.200 1.200 peak 165 spectrum 1 weight 0.10000E+01 volume 0.15454E-02 ppm1 7.830 ppm2 4.463 CV 1
ASSI { 166}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB1 ))
3.000 1.100 1.100 peak 166 spectrum 1 weight 0.10000E+01 volume 0.25386E-02 ppm1 7.830 ppm2 1.767 CV 1
ASSI { 167}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB2 ))
2.800 1.000 1.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.30143E-02 ppm1 7.828 ppm2 1.990 CV 1
ASSI { 168}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG1 ))
4.400 2.400 1.600 peak 168 spectrum 1 weight 0.10000E+01 volume 0.34130E-03 ppm1 7.833 ppm2 2.359 CV 1
OR { 168}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG2 ))
ASSI { 169}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA ))
2.800 1.000 1.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.32195E-02 ppm1 7.832 ppm2 4.548 CV 1
ASSI { 170}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB2 ))
3.900 1.900 1.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.58225E-03 ppm1 7.831 ppm2 2.580 CV 1
ASSI { 171}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB1 ))
3.400 1.400 1.400 peak 171 spectrum 1 weight 0.10000E+01 volume 0.99675E-03 ppm1 7.829 ppm2 2.536 CV 1
ASSI { 172}
( segid " " and resid 13 and name HD% )
( segid " " and resid 13 and name HE% )
1.500 0.300 0.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.13241E-01 ppm1 6.777 ppm2 6.682 CV 1
ASSI { 173}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 10 and name HA ))
3.100 1.200 1.200 peak 173 spectrum 1 weight 0.10000E+01 volume 0.15207E-02 ppm1 6.782 ppm2 4.151 CV 1
ASSI { 174}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 13 and name HA ))
2.300 0.600 0.600 peak 174 spectrum 1 weight 0.10000E+01 volume 0.38196E-02 ppm1 6.781 ppm2 4.253 CV 1
ASSI { 175}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 13 and name HB1 ))
1.700 0.400 0.500 peak 175 spectrum 1 weight 0.10000E+01 volume 0.16747E-01 ppm1 6.783 ppm2 2.925 CV 1
OR { 175}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 13 and name HB2 ))
ASSI { 176}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 10 and name HG1 ))
2.700 0.900 0.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.14721E-02 ppm1 6.781 ppm2 2.454 CV 1
OR { 176}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 10 and name HG2 ))
ASSI { 177}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 17 and name HG1 ))
3.800 1.800 1.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.30318E-03 ppm1 6.776 ppm2 2.194 CV 1
OR { 177}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 17 and name HG2 ))
ASSI { 178}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 10 and name HB2 ))
3.200 3.200 2.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.69987E-03 ppm1 6.776 ppm2 2.093 CV 1
OR { 178}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 10 and name HB1 ))
ASSI { 181}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 14 and name HB1 ))
2.600 0.900 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.11199E-02 ppm1 6.778 ppm2 3.088 CV 1
ASSI { 182}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 14 and name HB2 ))
4.100 2.100 1.900 peak 182 spectrum 1 weight 0.10000E+01 volume 0.42766E-03 ppm1 6.786 ppm2 3.178 CV 1
ASSI { 184}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 10 and name HA ))
3.500 3.500 2.500 peak 184 spectrum 1 weight 0.10000E+01 volume 0.38129E-03 ppm1 6.687 ppm2 4.154 CV 1
ASSI { 185}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 13 and name HA ))
2.800 2.800 3.200 peak 185 spectrum 1 weight 0.10000E+01 volume 0.14545E-02 ppm1 6.687 ppm2 4.254 CV 1
ASSI { 186}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 13 and name HB1 ))
2.600 2.600 3.400 peak 186 spectrum 1 weight 0.10000E+01 volume 0.35266E-02 ppm1 6.687 ppm2 2.928 CV 1
OR { 186}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 13 and name HB2 ))
ASSI { 187}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 10 and name HG1 ))
3.300 3.300 2.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.51811E-03 ppm1 6.687 ppm2 2.445 CV 1
OR { 187}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 10 and name HG2 ))
ASSI { 188}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 17 and name HG1 ))
3.500 3.500 2.500 peak 188 spectrum 1 weight 0.10000E+01 volume 0.37581E-03 ppm1 6.690 ppm2 2.194 CV 1
OR { 188}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 17 and name HG2 ))
ASSI { 189}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 17 and name HB1 ))
4.000 2.000 2.000 peak 189 spectrum 1 weight 0.10000E+01 volume 0.18053E-03 ppm1 6.688 ppm2 1.895 CV 1
ASSI { 190}
( segid " " and resid 13 and name HE% )
( segid " " and resid 12 and name HE% )
3.800 1.800 1.800 peak 190 spectrum 1 weight 0.10000E+01 volume 0.23325E-03 ppm1 6.685 ppm2 1.962 CV 1
ASSI { 191}
( segid " " and resid 13 and name HE% )
(( segid " " and resid 14 and name HB2 ))
3.700 1.800 1.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.25981E-03 ppm1 6.690 ppm2 3.192 CV 1
ASSI { 192}
( segid " " and resid 14 and name HD% )
( segid " " and resid 14 and name HE% )
1.400 0.200 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.18944E-01 ppm1 7.293 ppm2 7.361 CV 1
ASSI { 193}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 15 and name HA ))
3.200 1.200 1.200 peak 193 spectrum 1 weight 0.10000E+01 volume 0.80180E-03 ppm1 7.294 ppm2 4.575 CV 1
ASSI { 195}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 10 and name HA ))
3.200 1.300 1.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.83305E-03 ppm1 7.292 ppm2 4.153 CV 1
ASSI { 196}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 14 and name HB1 ))
2.100 0.500 0.500 peak 196 spectrum 1 weight 0.10000E+01 volume 0.80033E-02 ppm1 7.294 ppm2 3.090 CV 1
ASSI { 197}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 14 and name HB2 ))
1.800 0.400 0.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.88394E-02 ppm1 7.293 ppm2 3.180 CV 1
ASSI { 198}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 15 and name HB1 ))
3.200 3.200 2.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.21276E-02 ppm1 7.293 ppm2 2.933 CV 1
ASSI { 199}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 3 and name HB1 ))
3.700 1.700 1.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.41990E-03 ppm1 7.295 ppm2 2.764 CV 1
ASSI { 200}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 10 and name HG2 ))
2.600 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.16120E-02 ppm1 7.294 ppm2 2.444 CV 1
OR { 200}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 10 and name HG1 ))
ASSI { 201}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 17 and name HG1 ))
3.600 1.600 1.600 peak 201 spectrum 1 weight 0.10000E+01 volume 0.50683E-03 ppm1 7.291 ppm2 2.199 CV 1
OR { 201}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 17 and name HG2 ))
ASSI { 202}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 10 and name HB1 ))
2.800 2.800 3.200 peak 202 spectrum 1 weight 0.10000E+01 volume 0.15721E-02 ppm1 7.294 ppm2 2.090 CV 1
OR { 202}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 10 and name HB2 ))
ASSI { 203}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 17 and name HB1 ))
3.200 1.300 1.300 peak 203 spectrum 1 weight 0.10000E+01 volume 0.65945E-03 ppm1 7.291 ppm2 1.906 CV 1
ASSI { 204}
( segid " " and resid 14 and name HD% )
( segid " " and resid 12 and name HE% )
5.400 3.600 0.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.66522E-04 ppm1 7.292 ppm2 1.953 CV 1
ASSI { 205}
( segid " " and resid 14 and name HD% )
( segid " " and resid 6 and name HG2%)
4.300 2.300 1.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.10942E-03 ppm1 7.281 ppm2 0.871 CV 1
ASSI { 206}
( segid " " and resid 14 and name HD% )
( segid " " and resid 6 and name HD1%)
3.400 1.400 1.400 peak 206 spectrum 1 weight 0.10000E+01 volume 0.46530E-03 ppm1 7.293 ppm2 0.805 CV 1
ASSI { 208}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 15 and name HA ))
3.200 1.300 1.300 peak 208 spectrum 1 weight 0.10000E+01 volume 0.65690E-03 ppm1 7.373 ppm2 4.578 CV 1
ASSI { 209}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 11 and name HA ))
2.400 0.700 0.700 peak 209 spectrum 1 weight 0.10000E+01 volume 0.17856E-02 ppm1 7.362 ppm2 4.268 CV 1
ASSI { 210}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 10 and name HA ))
3.300 3.300 2.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.60259E-03 ppm1 7.366 ppm2 4.158 CV 1
ASSI { 211}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 14 and name HB1 ))
2.800 2.800 3.200 peak 211 spectrum 1 weight 0.10000E+01 volume 0.25342E-02 ppm1 7.363 ppm2 3.089 CV 1
ASSI { 212}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 14 and name HB2 ))
2.600 2.600 3.400 peak 212 spectrum 1 weight 0.10000E+01 volume 0.32472E-02 ppm1 7.363 ppm2 3.178 CV 1
ASSI { 213}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 15 and name HB1 ))
3.100 3.100 2.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.80820E-03 ppm1 7.370 ppm2 2.933 CV 1
OR { 213}
(( segid " " and resid 14 and name HZ ))
(( segid " " and resid 15 and name HB1 ))
ASSI { 214}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 10 and name HG2 ))
2.600 0.900 0.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.14341E-02 ppm1 7.369 ppm2 2.442 CV 1
ASSI { 215}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 17 and name HG1 ))
4.300 2.300 1.700 peak 215 spectrum 1 weight 0.10000E+01 volume 0.11977E-03 ppm1 7.365 ppm2 2.198 CV 1
OR { 215}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 17 and name HG2 ))
ASSI { 216}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 10 and name HB1 ))
2.800 2.800 3.200 peak 216 spectrum 1 weight 0.10000E+01 volume 0.15140E-02 ppm1 7.365 ppm2 2.086 CV 1
OR { 216}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 10 and name HB2 ))
ASSI { 217}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 17 and name HB1 ))
3.800 3.800 2.200 peak 217 spectrum 1 weight 0.10000E+01 volume 0.24141E-03 ppm1 7.366 ppm2 1.890 CV 1
ASSI { 218}
( segid " " and resid 14 and name HE% )
( segid " " and resid 6 and name HG2%)
4.900 3.000 1.100 peak 218 spectrum 1 weight 0.10000E+01 volume 0.50762E-04 ppm1 7.369 ppm2 0.875 CV 1
ASSI { 219}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HE1 ))
5.400 3.600 0.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.10652E-03 ppm1 7.185 ppm2 8.472 CV 1
ASSI { 220}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HA ))
4.200 2.200 1.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.91122E-03 ppm1 7.174 ppm2 4.560 CV 1
ASSI { 221}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 12 and name HA ))
3.700 1.700 1.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.85107E-03 ppm1 7.174 ppm2 4.124 CV 1
ASSI { 222}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 13 and name HA ))
3.400 1.400 1.400 peak 222 spectrum 1 weight 0.10000E+01 volume 0.72481E-03 ppm1 7.174 ppm2 4.255 CV 1
ASSI { 223}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 15 and name HB1 ))
3.700 1.700 1.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.70645E-03 ppm1 7.175 ppm2 2.950 CV 1
ASSI { 224}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 12 and name HG1 ))
3.500 3.500 2.500 peak 224 spectrum 1 weight 0.10000E+01 volume 0.39312E-03 ppm1 7.171 ppm2 2.466 CV 1
ASSI { 225}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 17 and name HG1 ))
5.000 3.100 1.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.27532E-03 ppm1 7.164 ppm2 2.194 CV 1
OR { 225}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 226}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 17 and name HB1 ))
4.100 2.100 1.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.72022E-03 ppm1 7.173 ppm2 1.895 CV 1
ASSI { 227}
(( segid " " and resid 16 and name HD2 ))
( segid " " and resid 12 and name HE% )
3.300 1.400 1.400 peak 227 spectrum 1 weight 0.10000E+01 volume 0.84577E-03 ppm1 7.174 ppm2 1.958 CV 1
ASSI { 228}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HB2 ))
3.700 1.700 1.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.12077E-02 ppm1 7.175 ppm2 3.257 CV 1
ASSI { 229}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 17 and name HB2 ))
4.100 2.100 1.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.38487E-03 ppm1 7.176 ppm2 2.014 CV 1
ASSI { 230}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 21 and name HE1 ))
3.000 1.100 1.100 peak 230 spectrum 1 weight 0.10000E+01 volume 0.20644E-02 ppm1 7.160 ppm2 10.007 CV 1
ASSI { 231}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 21 and name HA ))
3.600 1.600 1.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.11126E-02 ppm1 7.160 ppm2 4.616 CV 1
ASSI { 232}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 21 and name HB1 ))
3.100 1.200 1.200 peak 232 spectrum 1 weight 0.10000E+01 volume 0.44698E-02 ppm1 7.162 ppm2 3.133 CV 1
ASSI { 234}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 20 and name HB ))
3.700 1.700 1.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.27344E-03 ppm1 7.161 ppm2 1.739 CV 1
ASSI { 235}
(( segid " " and resid 21 and name HD1 ))
( segid " " and resid 20 and name HD1%)
3.200 1.300 1.300 peak 235 spectrum 1 weight 0.10000E+01 volume 0.11836E-02 ppm1 7.163 ppm2 0.743 CV 1
ASSI { 236}
(( segid " " and resid 21 and name HD1 ))
( segid " " and resid 19 and name HG1%)
3.300 1.400 1.400 peak 236 spectrum 1 weight 0.10000E+01 volume 0.90762E-03 ppm1 7.162 ppm2 0.690 CV 1
ASSI { 237}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 20 and name HA ))
3.500 3.500 2.500 peak 237 spectrum 1 weight 0.10000E+01 volume 0.36652E-03 ppm1 7.161 ppm2 4.072 CV 1
ASSI { 238}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 20 and name HG12))
6.000 4.500 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.11498E-03 ppm1 7.161 ppm2 1.315 CV 1
ASSI { 239}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 19 and name HA ))
4.800 2.900 1.200 peak 239 spectrum 1 weight 0.10000E+01 volume 0.15883E-03 ppm1 7.160 ppm2 4.007 CV 1
ASSI { 245}
(( segid " " and resid 21 and name HE3 ))
(( segid " " and resid 21 and name HA ))
3.300 1.400 1.400 peak 245 spectrum 1 weight 0.10000E+01 volume 0.11926E-02 ppm1 7.533 ppm2 4.614 CV 1
ASSI { 246}
(( segid " " and resid 21 and name HE3 ))
(( segid " " and resid 21 and name HB1 ))
2.700 0.900 0.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.31725E-02 ppm1 7.533 ppm2 3.134 CV 1
ASSI { 247}
(( segid " " and resid 21 and name HE3 ))
(( segid " " and resid 21 and name HB2 ))
3.700 1.700 1.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.26381E-02 ppm1 7.533 ppm2 3.205 CV 1
ASSI { 248}
(( segid " " and resid 21 and name HE3 ))
( segid " " and resid 20 and name HD1%)
4.600 2.700 1.400 peak 248 spectrum 1 weight 0.10000E+01 volume 0.11907E-03 ppm1 7.532 ppm2 0.756 CV 1
ASSI { 249}
(( segid " " and resid 21 and name HH2 ))
(( segid " " and resid 21 and name HE3 ))
3.800 1.800 1.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.13579E-02 ppm1 7.141 ppm2 7.526 CV 1
ASSI { 251}
(( segid " " and resid 21 and name HH2 ))
(( segid " " and resid 21 and name HZ3 ))
2.100 0.600 0.600 peak 251 spectrum 1 weight 0.10000E+01 volume 0.16679E-01 ppm1 7.141 ppm2 7.048 CV 1
ASSI { 252}
(( segid " " and resid 21 and name HZ2 ))
(( segid " " and resid 21 and name HE3 ))
4.000 2.000 2.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.57942E-03 ppm1 7.381 ppm2 7.528 CV 1
ASSI { 253}
(( segid " " and resid 21 and name HZ2 ))
(( segid " " and resid 21 and name HH2 ))
2.100 0.600 0.600 peak 253 spectrum 1 weight 0.10000E+01 volume 0.18438E-01 ppm1 7.382 ppm2 7.143 CV 1
ASSI { 254}
(( segid " " and resid 21 and name HZ2 ))
(( segid " " and resid 21 and name HZ3 ))
3.800 1.800 1.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.14246E-02 ppm1 7.382 ppm2 7.052 CV 1
ASSI { 255}
(( segid " " and resid 21 and name HZ2 ))
(( segid " " and resid 21 and name HE1 ))
3.100 1.200 1.200 peak 255 spectrum 1 weight 0.10000E+01 volume 0.17157E-02 ppm1 7.385 ppm2 10.004 CV 1
ASSI { 256}
(( segid " " and resid 21 and name HZ3 ))
(( segid " " and resid 21 and name HE3 ))
2.600 0.800 0.800 peak 256 spectrum 1 weight 0.10000E+01 volume 0.52228E-02 ppm1 7.058 ppm2 7.526 CV 1
ASSI { 259}
(( segid " " and resid 21 and name HZ3 ))
(( segid " " and resid 21 and name HB1 ))
5.100 3.200 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.26556E-03 ppm1 7.062 ppm2 3.132 CV 1
ASSI { 260}
(( segid " " and resid 21 and name HZ3 ))
( segid " " and resid 20 and name HD1%)
3.600 1.600 1.600 peak 260 spectrum 1 weight 0.10000E+01 volume 0.33437E-03 ppm1 7.064 ppm2 0.732 CV 1
ASSI { 261}
(( segid " " and resid 4 and name HD21))
(( segid " " and resid 4 and name HB2 ))
3.100 1.200 1.200 peak 261 spectrum 1 weight 0.10000E+01 volume 0.12266E-02 ppm1 6.876 ppm2 2.763 CV 1
OR { 261}
(( segid " " and resid 4 and name HD21))
(( segid " " and resid 4 and name HB1 ))
ASSI { 262}
(( segid " " and resid 4 and name HD22))
(( segid " " and resid 4 and name HB2 ))
3.600 1.600 1.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.18472E-02 ppm1 7.571 ppm2 2.760 CV 1
OR { 262}
(( segid " " and resid 4 and name HD22))
(( segid " " and resid 4 and name HB1 ))
ASSI { 263}
(( segid " " and resid 4 and name HD21))
(( segid " " and resid 4 and name HD22))
1.900 0.400 0.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.16718E-01 ppm1 6.877 ppm2 7.568 CV 1
ASSI { 265}
(( segid " " and resid 7 and name HD22))
(( segid " " and resid 7 and name HA ))
4.700 2.700 1.300 peak 265 spectrum 1 weight 0.10000E+01 volume 0.37584E-03 ppm1 7.626 ppm2 4.658 CV 1
ASSI { 266}
(( segid " " and resid 7 and name HD22))
(( segid " " and resid 7 and name HB1 ))
3.500 1.500 1.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.21432E-02 ppm1 7.624 ppm2 2.769 CV 1
ASSI { 267}
(( segid " " and resid 7 and name HD22))
(( segid " " and resid 7 and name HB2 ))
3.600 1.600 1.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.15649E-02 ppm1 7.624 ppm2 2.846 CV 1
ASSI { 268}
(( segid " " and resid 7 and name HD21))
(( segid " " and resid 7 and name HB1 ))
3.400 1.500 1.500 peak 268 spectrum 1 weight 0.10000E+01 volume 0.17335E-02 ppm1 6.918 ppm2 2.769 CV 1
ASSI { 269}
(( segid " " and resid 7 and name HD21))
(( segid " " and resid 7 and name HB2 ))
2.900 1.000 1.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.12063E-02 ppm1 6.918 ppm2 2.844 CV 1
ASSI { 270}
(( segid " " and resid 7 and name HD21))
(( segid " " and resid 10 and name HG2 ))
5.500 3.700 0.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.11563E-03 ppm1 6.924 ppm2 2.447 CV 1
ASSI { 271}
(( segid " " and resid 7 and name HD22))
(( segid " " and resid 7 and name HD21))
1.800 0.400 0.400 peak 271 spectrum 1 weight 0.10000E+01 volume 0.15051E-01 ppm1 7.624 ppm2 6.916 CV 1
ASSI { 273}
(( segid " " and resid 7 and name HD21))
(( segid " " and resid 6 and name HG12))
5.800 4.300 0.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.83548E-04 ppm1 6.923 ppm2 1.342 CV 1
ASSI { 274}
(( segid " " and resid 7 and name HD21))
( segid " " and resid 6 and name HG2%)
4.300 2.300 1.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.38240E-03 ppm1 6.921 ppm2 0.883 CV 1
ASSI { 275}
(( segid " " and resid 7 and name HD22))
( segid " " and resid 6 and name HG2%)
4.400 2.400 1.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.25431E-03 ppm1 7.627 ppm2 0.885 CV 1
ASSI { 276}
(( segid " " and resid 7 and name HD21))
( segid " " and resid 6 and name HD1%)
4.800 2.900 1.200 peak 276 spectrum 1 weight 0.10000E+01 volume 0.12032E-03 ppm1 6.918 ppm2 0.808 CV 1
ASSI { 277}
(( segid " " and resid 7 and name HD21))
(( segid " " and resid 11 and name HB2 ))
5.400 3.600 0.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.69108E-04 ppm1 6.918 ppm2 3.137 CV 1
ASSI { 278}
(( segid " " and resid 17 and name HE21))
(( segid " " and resid 17 and name HB1 ))
5.300 3.500 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.68263E-04 ppm1 6.726 ppm2 1.902 CV 1
ASSI { 279}
(( segid " " and resid 17 and name HE21))
(( segid " " and resid 17 and name HB2 ))
5.400 3.700 0.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.41036E-04 ppm1 6.729 ppm2 2.015 CV 1
ASSI { 280}
(( segid " " and resid 17 and name HE21))
(( segid " " and resid 17 and name HG2 ))
3.500 1.500 1.500 peak 280 spectrum 1 weight 0.10000E+01 volume 0.62798E-03 ppm1 6.727 ppm2 2.195 CV 1
OR { 280}
(( segid " " and resid 17 and name HE21))
(( segid " " and resid 17 and name HG1 ))
ASSI { 281}
(( segid " " and resid 17 and name HE22))
(( segid " " and resid 17 and name HG2 ))
3.700 1.700 1.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.13109E-02 ppm1 7.249 ppm2 2.196 CV 1
OR { 281}
(( segid " " and resid 17 and name HE22))
(( segid " " and resid 17 and name HG1 ))
ASSI { 282}
(( segid " " and resid 17 and name HE22))
(( segid " " and resid 17 and name HE21))
2.000 0.500 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.12316E-01 ppm1 7.248 ppm2 6.724 CV 1
ASSI { 284}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 1 and name HA ))
2.500 0.800 0.800 peak 284 spectrum 1 weight 0.10000E+01 volume 0.75128E-02 ppm1 3.316 ppm2 4.318 CV 1
ASSI { 285}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 1 and name HA ))
2.500 0.800 0.800 peak 285 spectrum 1 weight 0.10000E+01 volume 0.52972E-02 ppm1 3.273 ppm2 4.319 CV 1
ASSI { 288}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 2 and name HA ))
3.900 1.900 1.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.72722E-03 ppm1 4.326 ppm2 4.657 CV 1
ASSI { 289}
(( segid " " and resid 2 and name HB1 ))
(( segid " " and resid 2 and name HA ))
2.500 0.800 0.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.67550E-02 ppm1 3.779 ppm2 4.655 CV 1
OR { 289}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 2 and name HA ))
ASSI { 290}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 1 and name HA ))
4.500 2.600 1.500 peak 290 spectrum 1 weight 0.10000E+01 volume 0.31203E-03 ppm1 3.781 ppm2 4.313 CV 1
OR { 290}
(( segid " " and resid 2 and name HB1 ))
(( segid " " and resid 1 and name HA ))
ASSI { 291}
(( segid " " and resid 3 and name HB1 ))
(( segid " " and resid 3 and name HA ))
2.800 0.900 0.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.26111E-02 ppm1 2.777 ppm2 4.795 CV 1
ASSI { 292}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HA ))
2.400 0.700 0.700 peak 292 spectrum 1 weight 0.10000E+01 volume 0.63767E-02 ppm1 3.168 ppm2 4.800 CV 1
ASSI { 293}
(( segid " " and resid 3 and name HB1 ))
(( segid " " and resid 3 and name HB2 ))
2.100 0.500 0.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.69707E-02 ppm1 2.776 ppm2 3.158 CV 1
ASSI { 295}
(( segid " " and resid 4 and name HB1 ))
(( segid " " and resid 4 and name HA ))
2.400 0.700 0.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.72621E-02 ppm1 2.768 ppm2 4.589 CV 1
OR { 295}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HA ))
ASSI { 297}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HA ))
2.700 0.900 0.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.39294E-02 ppm1 2.936 ppm2 4.732 CV 1
ASSI { 298}
(( segid " " and resid 5 and name HB1 ))
(( segid " " and resid 5 and name HA ))
2.900 1.100 1.100 peak 298 spectrum 1 weight 0.10000E+01 volume 0.23639E-02 ppm1 2.780 ppm2 4.734 CV 1
ASSI { 299}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HB1 ))
2.100 0.500 0.500 peak 299 spectrum 1 weight 0.10000E+01 volume 0.98454E-02 ppm1 2.935 ppm2 2.765 CV 1
ASSI { 302}
(( segid " " and resid 6 and name HA ))
( segid " " and resid 6 and name HG2%)
2.400 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.61721E-02 ppm1 4.152 ppm2 0.880 CV 1
ASSI { 303}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG12))
3.200 1.300 1.300 peak 303 spectrum 1 weight 0.10000E+01 volume 0.20141E-02 ppm1 4.152 ppm2 1.324 CV 1
ASSI { 304}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HG11))
3.400 1.400 1.400 peak 304 spectrum 1 weight 0.10000E+01 volume 0.13913E-02 ppm1 4.153 ppm2 1.176 CV 1
ASSI { 305}
(( segid " " and resid 6 and name HA ))
( segid " " and resid 6 and name HD1%)
3.500 1.500 1.500 peak 305 spectrum 1 weight 0.10000E+01 volume 0.23155E-02 ppm1 4.152 ppm2 0.804 CV 1
ASSI { 309}
(( segid " " and resid 6 and name HG11))
(( segid " " and resid 6 and name HB ))
2.300 0.700 0.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.52175E-02 ppm1 1.174 ppm2 1.896 CV 1
ASSI { 310}
(( segid " " and resid 6 and name HG11))
(( segid " " and resid 6 and name HG12))
1.800 0.400 0.400 peak 310 spectrum 1 weight 0.10000E+01 volume 0.13213E-01 ppm1 1.187 ppm2 1.325 CV 1
ASSI { 311}
(( segid " " and resid 6 and name HG11))
( segid " " and resid 6 and name HG2%)
2.700 0.900 0.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.76871E-02 ppm1 1.181 ppm2 0.880 CV 1
ASSI { 312}
(( segid " " and resid 6 and name HG11))
( segid " " and resid 6 and name HD1%)
2.000 0.500 0.500 peak 312 spectrum 1 weight 0.10000E+01 volume 0.93233E-02 ppm1 1.168 ppm2 0.806 CV 1
ASSI { 314}
(( segid " " and resid 6 and name HG12))
(( segid " " and resid 6 and name HB ))
2.600 0.800 0.800 peak 314 spectrum 1 weight 0.10000E+01 volume 0.50807E-02 ppm1 1.330 ppm2 1.895 CV 1
ASSI { 316}
(( segid " " and resid 6 and name HG12))
( segid " " and resid 6 and name HG2%)
2.500 0.800 0.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.25339E-02 ppm1 1.332 ppm2 0.880 CV 1
ASSI { 318}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 6 and name HB ))
2.200 0.600 0.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.63139E-02 ppm1 0.884 ppm2 1.897 CV 1
ASSI { 321}
( segid " " and resid 6 and name HD1%)
(( segid " " and resid 6 and name HB ))
2.500 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.31855E-02 ppm1 0.805 ppm2 1.894 CV 1
ASSI { 322}
( segid " " and resid 6 and name HD1%)
(( segid " " and resid 6 and name HG12))
2.000 0.500 0.500 peak 322 spectrum 1 weight 0.10000E+01 volume 0.10561E-01 ppm1 0.803 ppm2 1.324 CV 1
ASSI { 324}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HA ))
3.800 1.800 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.68892E-03 ppm1 4.156 ppm2 4.653 CV 1
ASSI { 325}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 3 and name HB1 ))
3.900 1.900 1.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.11535E-02 ppm1 0.885 ppm2 2.768 CV 1
ASSI { 327}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 11 and name HA ))
5.000 3.100 1.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.39191E-03 ppm1 0.876 ppm2 4.257 CV 1
ASSI { 329}
( segid " " and resid 6 and name HD1%)
(( segid " " and resid 7 and name HA ))
4.200 2.200 1.800 peak 329 spectrum 1 weight 0.10000E+01 volume 0.44808E-03 ppm1 0.811 ppm2 4.654 CV 1
ASSI { 330}
( segid " " and resid 6 and name HD1%)
(( segid " " and resid 3 and name HB1 ))
3.500 1.500 1.500 peak 330 spectrum 1 weight 0.10000E+01 volume 0.81856E-03 ppm1 0.801 ppm2 2.765 CV 1
ASSI { 333}
( segid " " and resid 6 and name HD1%)
(( segid " " and resid 11 and name HB1 ))
4.500 2.600 1.500 peak 333 spectrum 1 weight 0.10000E+01 volume 0.42632E-03 ppm1 0.811 ppm2 3.073 CV 1
ASSI { 336}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HA ))
2.600 0.900 0.900 peak 336 spectrum 1 weight 0.10000E+01 volume 0.58220E-02 ppm1 2.843 ppm2 4.655 CV 1
ASSI { 337}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 7 and name HB2 ))
1.900 0.500 0.500 peak 337 spectrum 1 weight 0.10000E+01 volume 0.12327E-01 ppm1 2.777 ppm2 2.842 CV 1
ASSI { 338}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HA ))
2.600 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.44370E-02 ppm1 2.731 ppm2 4.639 CV 1
ASSI { 339}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HA ))
2.700 0.900 0.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.34677E-02 ppm1 3.099 ppm2 4.649 CV 1
ASSI { 340}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HB2 ))
2.100 0.500 0.500 peak 340 spectrum 1 weight 0.10000E+01 volume 0.93667E-02 ppm1 2.770 ppm2 3.107 CV 1
ASSI { 342}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB2 ))
2.200 0.600 0.600 peak 342 spectrum 1 weight 0.10000E+01 volume 0.12763E-01 ppm1 3.939 ppm2 1.790 CV 1
OR { 342}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HB1 ))
ASSI { 343}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HG1 ))
2.800 1.000 1.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.30843E-02 ppm1 3.941 ppm2 1.382 CV 1
ASSI { 344}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HG2 ))
3.000 1.200 1.200 peak 344 spectrum 1 weight 0.10000E+01 volume 0.17783E-02 ppm1 3.939 ppm2 1.483 CV 1
ASSI { 345}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HD2 ))
3.300 1.400 1.400 peak 345 spectrum 1 weight 0.10000E+01 volume 0.12810E-02 ppm1 3.940 ppm2 1.631 CV 1
OR { 345}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HD1 ))
ASSI { 346}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 8 and name HA ))
3.900 1.900 1.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.54910E-03 ppm1 3.942 ppm2 4.653 CV 1
ASSI { 348}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 12 and name HB1 ))
3.500 1.500 1.500 peak 348 spectrum 1 weight 0.10000E+01 volume 0.26618E-02 ppm1 3.940 ppm2 1.897 CV 1
ASSI { 349}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 12 and name HG2 ))
2.900 1.000 1.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.18207E-02 ppm1 3.941 ppm2 2.470 CV 1
OR { 349}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 12 and name HG1 ))
ASSI { 351}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 9 and name HG2 ))
2.300 0.600 0.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.86864E-02 ppm1 1.783 ppm2 1.487 CV 1
OR { 351}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HG2 ))
ASSI { 352}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HG1 ))
2.400 0.700 0.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.65123E-02 ppm1 1.791 ppm2 1.394 CV 1
OR { 352}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 9 and name HG1 ))
ASSI { 353}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 10 and name HG1 ))
4.400 2.500 1.600 peak 353 spectrum 1 weight 0.10000E+01 volume 0.39078E-03 ppm1 1.794 ppm2 2.441 CV 1
OR { 353}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 10 and name HG2 ))
OR { 353}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 10 and name HG1 ))
ASSI { 358}
(( segid " " and resid 9 and name HG1 ))
(( segid " " and resid 9 and name HG2 ))
1.800 0.400 0.400 peak 358 spectrum 1 weight 0.10000E+01 volume 0.15757E-01 ppm1 1.398 ppm2 1.481 CV 1
ASSI { 360}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HD1 ))
2.000 0.500 0.500 peak 360 spectrum 1 weight 0.10000E+01 volume 0.16365E-01 ppm1 1.502 ppm2 1.633 CV 1
OR { 360}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HD2 ))
ASSI { 364}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 9 and name HG1 ))
2.300 0.600 0.600 peak 364 spectrum 1 weight 0.10000E+01 volume 0.92512E-02 ppm1 1.628 ppm2 1.385 CV 1
OR { 364}
(( segid " " and resid 9 and name HD1 ))
(( segid " " and resid 9 and name HG1 ))
ASSI { 365}
(( segid " " and resid 9 and name HE2 ))
(( segid " " and resid 9 and name HG1 ))
3.700 1.700 1.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.51879E-03 ppm1 2.974 ppm2 1.385 CV 1
OR { 365}
(( segid " " and resid 9 and name HE1 ))
(( segid " " and resid 9 and name HG1 ))
ASSI { 366}
(( segid " " and resid 9 and name HE2 ))
(( segid " " and resid 9 and name HG2 ))
4.200 2.200 1.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.36450E-03 ppm1 2.958 ppm2 1.486 CV 1
OR { 366}
(( segid " " and resid 9 and name HE1 ))
(( segid " " and resid 9 and name HG2 ))
ASSI { 367}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
2.200 0.600 0.600 peak 367 spectrum 1 weight 0.10000E+01 volume 0.88115E-02 ppm1 4.160 ppm2 2.089 CV 1
OR { 367}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB1 ))
ASSI { 368}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG1 ))
2.300 0.700 0.700 peak 368 spectrum 1 weight 0.10000E+01 volume 0.83908E-02 ppm1 4.146 ppm2 2.464 CV 1
OR { 368}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HG2 ))
ASSI { 369}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 9 and name HB1 ))
2.900 2.900 3.100 peak 369 spectrum 1 weight 0.10000E+01 volume 0.16270E-02 ppm1 4.156 ppm2 1.786 CV 1
OR { 369}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 373}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HB1 ))
2.100 0.500 0.500 peak 373 spectrum 1 weight 0.10000E+01 volume 0.14350E-01 ppm1 2.440 ppm2 2.095 CV 1
OR { 373}
(( segid " " and resid 10 and name HG1 ))
(( segid " " and resid 10 and name HB2 ))
OR { 373}
(( segid " " and resid 10 and name HG2 ))
(( segid " " and resid 10 and name HB2 ))
OR { 373}
(( segid " " and resid 10 and name HG1 ))
(( segid " " and resid 10 and name HB1 ))
ASSI { 374}
(( segid " " and resid 11 and name HA ))
( segid " " and resid 6 and name HD1%)
2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.14677E-02 ppm1 4.264 ppm2 0.792 CV 1
ASSI { 375}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 6 and name HG12))
3.900 1.900 1.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.57509E-03 ppm1 3.150 ppm2 1.328 CV 1
ASSI { 376}
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 6 and name HG2%)
3.300 3.300 2.700 peak 376 spectrum 1 weight 0.10000E+01 volume 0.51124E-03 ppm1 3.152 ppm2 0.878 CV 1
ASSI { 377}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 6 and name HG11))
4.000 2.000 2.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.15640E-03 ppm1 3.153 ppm2 1.169 CV 1
ASSI { 378}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 15 and name HB2 ))
2.600 0.800 0.800 peak 378 spectrum 1 weight 0.10000E+01 volume 0.33276E-02 ppm1 4.140 ppm2 3.178 CV 1
ASSI { 381}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HA ))
2.500 0.800 0.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.43487E-02 ppm1 1.996 ppm2 4.126 CV 1
ASSI { 382}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HG2 ))
2.100 0.600 0.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.88777E-02 ppm1 1.897 ppm2 2.471 CV 1
OR { 382}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HG1 ))
ASSI { 383}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 9 and name HA ))
3.800 1.800 1.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.14417E-02 ppm1 1.995 ppm2 3.933 CV 1
ASSI { 385}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 12 and name HA ))
2.800 1.000 1.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.52138E-02 ppm1 2.478 ppm2 4.135 CV 1
OR { 385}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HA ))
ASSI { 387}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 12 and name HB2 ))
2.200 0.600 0.600 peak 387 spectrum 1 weight 0.10000E+01 volume 0.11849E-01 ppm1 2.481 ppm2 1.989 CV 1
OR { 387}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 388}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 11 and name HB2 ))
4.100 2.100 1.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 2.474 ppm2 3.159 CV 1
OR { 388}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 389}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 11 and name HB1 ))
3.700 1.700 1.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.12356E-02 ppm1 2.470 ppm2 3.076 CV 1
OR { 389}
(( segid " " and resid 12 and name HG1 ))
(( segid " " and resid 11 and name HB1 ))
ASSI { 391}
( segid " " and resid 12 and name HE% )
(( segid " " and resid 12 and name HG1 ))
2.400 0.700 0.700 peak 391 spectrum 1 weight 0.10000E+01 volume 0.48782E-02 ppm1 1.964 ppm2 2.471 CV 1
OR { 391}
( segid " " and resid 12 and name HE% )
(( segid " " and resid 12 and name HG2 ))
ASSI { 392}
( segid " " and resid 12 and name HE% )
(( segid " " and resid 9 and name HA ))
3.300 1.300 1.300 peak 392 spectrum 1 weight 0.10000E+01 volume 0.12920E-02 ppm1 1.970 ppm2 3.935 CV 1
ASSI { 394}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HA ))
2.000 0.500 0.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.15098E-01 ppm1 2.940 ppm2 4.251 CV 1
OR { 394}
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 13 and name HA ))
ASSI { 398}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HA ))
1.800 1.800 4.200 peak 398 spectrum 1 weight 0.10000E+01 volume 0.20702E-01 ppm1 3.172 ppm2 4.262 CV 1
ASSI { 401}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 15 and name HA ))
2.700 0.900 0.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.58101E-02 ppm1 2.964 ppm2 4.573 CV 1
ASSI { 403}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 15 and name HB2 ))
2.100 0.500 0.500 peak 403 spectrum 1 weight 0.10000E+01 volume 0.69350E-02 ppm1 2.962 ppm2 3.181 CV 1
ASSI { 405}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB1 ))
3.600 1.600 1.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.70288E-03 ppm1 4.539 ppm2 3.178 CV 1
ASSI { 406}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HA ))
2.800 1.000 1.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.27071E-02 ppm1 3.257 ppm2 4.559 CV 1
ASSI { 408}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB1 ))
2.700 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.53903E-02 ppm1 4.229 ppm2 1.897 CV 1
ASSI { 409}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
2.300 0.600 0.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.76201E-02 ppm1 4.223 ppm2 2.012 CV 1
ASSI { 410}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG2 ))
2.800 1.000 1.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.33173E-02 ppm1 4.220 ppm2 2.194 CV 1
OR { 410}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 411}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 16 and name HA ))
3.900 1.900 1.900 peak 411 spectrum 1 weight 0.10000E+01 volume 0.55390E-03 ppm1 4.216 ppm2 4.564 CV 1
ASSI { 415}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HG1 ))
2.100 0.500 0.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.15170E-01 ppm1 2.025 ppm2 2.198 CV 1
OR { 415}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 418}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HB1 ))
2.200 0.600 0.600 peak 418 spectrum 1 weight 0.10000E+01 volume 0.82254E-02 ppm1 2.192 ppm2 1.905 CV 1
OR { 418}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB1 ))
ASSI { 419}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HA ))
2.900 1.000 1.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.25055E-02 ppm1 2.832 ppm2 4.602 CV 1
ASSI { 420}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 18 and name HB2 ))
2.000 0.500 0.500 peak 420 spectrum 1 weight 0.10000E+01 volume 0.13625E-01 ppm1 2.736 ppm2 2.829 CV 1
ASSI { 421}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HB ))
2.600 0.800 0.800 peak 421 spectrum 1 weight 0.10000E+01 volume 0.44813E-02 ppm1 4.023 ppm2 1.897 CV 1
ASSI { 422}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 19 and name HG1%)
2.400 0.700 0.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.53678E-02 ppm1 4.024 ppm2 0.688 CV 1
ASSI { 423}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 19 and name HG2%)
2.500 0.800 0.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.50105E-02 ppm1 4.023 ppm2 0.774 CV 1
ASSI { 426}
( segid " " and resid 19 and name HG1%)
(( segid " " and resid 19 and name HB ))
2.300 0.700 0.700 peak 426 spectrum 1 weight 0.10000E+01 volume 0.59305E-02 ppm1 0.683 ppm2 1.893 CV 1
ASSI { 427}
( segid " " and resid 19 and name HG1%)
(( segid " " and resid 18 and name HA ))
3.900 1.900 1.900 peak 427 spectrum 1 weight 0.10000E+01 volume 0.81150E-03 ppm1 0.696 ppm2 4.605 CV 1
ASSI { 429}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 19 and name HB ))
2.500 0.800 0.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.36442E-02 ppm1 0.765 ppm2 1.894 CV 1
ASSI { 430}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 18 and name HA ))
3.300 1.400 1.400 peak 430 spectrum 1 weight 0.10000E+01 volume 0.15930E-02 ppm1 0.777 ppm2 4.601 CV 1
ASSI { 431}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 18 and name HB2 ))
3.900 1.900 1.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.20528E-03 ppm1 0.764 ppm2 2.821 CV 1
ASSI { 432}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 18 and name HB1 ))
3.800 1.800 1.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.22528E-03 ppm1 0.764 ppm2 2.719 CV 1
ASSI { 433}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 17 and name HG1 ))
3.900 1.900 1.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.20576E-03 ppm1 0.790 ppm2 2.195 CV 1
ASSI { 434}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB ))
2.500 0.800 0.800 peak 434 spectrum 1 weight 0.10000E+01 volume 0.53645E-02 ppm1 4.081 ppm2 1.731 CV 1
ASSI { 435}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG11))
3.000 1.100 1.100 peak 435 spectrum 1 weight 0.10000E+01 volume 0.26120E-02 ppm1 4.077 ppm2 1.050 CV 1
ASSI { 436}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HG12))
3.700 1.700 1.700 peak 436 spectrum 1 weight 0.10000E+01 volume 0.14059E-02 ppm1 4.073 ppm2 1.313 CV 1
ASSI { 437}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 20 and name HG2%)
2.300 0.600 0.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.84114E-02 ppm1 4.076 ppm2 0.740 CV 1
ASSI { 438}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HA ))
4.000 2.000 2.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.48156E-03 ppm1 4.075 ppm2 4.607 CV 1
ASSI { 440}
(( segid " " and resid 20 and name HB ))
(( segid " " and resid 20 and name HG11))
2.600 0.900 0.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.38797E-02 ppm1 1.745 ppm2 1.054 CV 1
ASSI { 441}
(( segid " " and resid 20 and name HB ))
(( segid " " and resid 20 and name HG12))
2.500 0.800 0.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.49958E-02 ppm1 1.739 ppm2 1.316 CV 1
ASSI { 442}
(( segid " " and resid 20 and name HB ))
( segid " " and resid 20 and name HG2%)
2.500 0.800 0.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.36254E-02 ppm1 1.736 ppm2 0.740 CV 1
OR { 442}
(( segid " " and resid 20 and name HB ))
( segid " " and resid 20 and name HD1%)
ASSI { 445}
(( segid " " and resid 20 and name HG11))
(( segid " " and resid 20 and name HG12))
1.800 0.400 0.400 peak 445 spectrum 1 weight 0.10000E+01 volume 0.13630E-01 ppm1 1.069 ppm2 1.313 CV 1
ASSI { 446}
(( segid " " and resid 20 and name HG11))
( segid " " and resid 20 and name HD1%)
2.000 0.500 0.500 peak 446 spectrum 1 weight 0.10000E+01 volume 0.13854E-01 ppm1 1.046 ppm2 0.745 CV 1
OR { 446}
(( segid " " and resid 20 and name HG11))
( segid " " and resid 20 and name HG2%)
ASSI { 450}
(( segid " " and resid 20 and name HG12))
( segid " " and resid 20 and name HD1%)
2.000 0.500 0.500 peak 450 spectrum 1 weight 0.10000E+01 volume 0.12955E-01 ppm1 1.335 ppm2 0.745 CV 1
OR { 450}
(( segid " " and resid 20 and name HG12))
( segid " " and resid 20 and name HG2%)
ASSI { 455}
( segid " " and resid 20 and name HD1%)
(( segid " " and resid 21 and name HA ))
3.000 1.100 1.100 peak 455 spectrum 1 weight 0.10000E+01 volume 0.13326E-02 ppm1 0.745 ppm2 4.608 CV 1
ASSI { 457}
( segid " " and resid 20 and name HG2%)
(( segid " " and resid 18 and name HB1 ))
3.900 1.900 1.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.21411E-03 ppm1 0.748 ppm2 2.733 CV 1
ASSI { 459}
(( segid " " and resid 21 and name HB1 ))
(( segid " " and resid 21 and name HA ))
2.400 0.700 0.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.55302E-02 ppm1 3.142 ppm2 4.622 CV 1
ASSI { 460}
(( segid " " and resid 21 and name HB1 ))
( segid " " and resid 20 and name HD1%)
3.400 1.400 1.400 peak 460 spectrum 1 weight 0.10000E+01 volume 0.11663E-02 ppm1 3.141 ppm2 0.744 CV 1
ASSI { 461}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 20 and name HG11))
4.700 2.700 1.300 peak 461 spectrum 1 weight 0.10000E+01 volume 0.10131E-03 ppm1 7.170 ppm2 1.049 CV 1
ASSI { 462}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB1 ))
3.500 1.600 1.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.79709E-03 ppm1 4.548 ppm2 2.559 CV 1
OR { 462}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB2 ))
ASSI { 463}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HA ))
3.200 1.300 1.300 peak 463 spectrum 1 weight 0.10000E+01 volume 0.11825E-02 ppm1 1.983 ppm2 4.457 CV 1
ASSI { 464}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 23 and name HB2 ))
1.800 0.400 0.400 peak 464 spectrum 1 weight 0.10000E+01 volume 0.16613E-01 ppm1 1.785 ppm2 1.984 CV 1
ASSI { 467}
(( segid " " and resid 23 and name HG1 ))
(( segid " " and resid 23 and name HB1 ))
2.800 1.000 1.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.28765E-02 ppm1 2.368 ppm2 1.774 CV 1
OR { 467}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HB1 ))
ASSI { 468}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HB2 ))
2.500 0.800 0.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.59637E-02 ppm1 2.350 ppm2 1.991 CV 1
OR { 468}
(( segid " " and resid 23 and name HG1 ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 470}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HG1 ))
2.200 0.600 0.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.11738E-01 ppm1 2.215 ppm2 1.949 CV 1
OR { 470}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HG2 ))
ASSI { 471}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 24 and name HD2 ))
2.600 0.800 0.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.71206E-02 ppm1 1.970 ppm2 3.629 CV 1
OR { 471}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 24 and name HD1 ))
ASSI { 472}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HD1 ))
4.100 2.100 1.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.62752E-03 ppm1 2.223 ppm2 3.630 CV 1
OR { 472}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HD2 ))
ASSI { 473}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HA ))
3.300 1.300 1.300 peak 473 spectrum 1 weight 0.10000E+01 volume 0.24970E-02 ppm1 1.961 ppm2 4.307 CV 1
OR { 473}
(( segid " " and resid 24 and name HG1 ))
(( segid " " and resid 24 and name HA ))
ASSI { 474}
(( segid " " and resid 24 and name HD1 ))
(( segid " " and resid 23 and name HA ))
2.700 0.900 0.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.31017E-02 ppm1 3.642 ppm2 4.461 CV 1
OR { 474}
(( segid " " and resid 24 and name HD2 ))
(( segid " " and resid 23 and name HA ))
ASSI { 475}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 10 and name HG2 ))
3.200 1.300 1.300 peak 475 spectrum 1 weight 0.10000E+01 volume 0.11794E-02 ppm1 4.259 ppm2 2.451 CV 1
OR { 475}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 10 and name HG1 ))
ASSI { 477}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 10 and name HG2 ))
3.300 3.300 2.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.19528E-02 ppm1 3.155 ppm2 2.461 CV 1
OR { 477}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 10 and name HG1 ))
ASSI { 479}
(( segid " " and resid 24 and name HD2 ))
(( segid " " and resid 24 and name HG2 ))
2.500 0.800 0.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.51326E-02 ppm1 3.640 ppm2 1.959 CV 1
OR { 479}
(( segid " " and resid 24 and name HD1 ))
(( segid " " and resid 24 and name HG1 ))
OR { 479}
(( segid " " and resid 24 and name HD1 ))
(( segid " " and resid 24 and name HG2 ))
OR { 479}
(( segid " " and resid 24 and name HD2 ))
(( segid " " and resid 24 and name HG1 ))
ASSI { 480}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HA ))
2.900 1.100 1.100 peak 480 spectrum 1 weight 0.10000E+01 volume 0.23294E-02 ppm1 8.891 ppm2 4.658 CV 1
ASSI { 481}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 14 and name HZ ))
2.500 0.800 0.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.61503E-02 ppm1 8.891 ppm2 7.370 CV 1
ASSI { 482}
(( segid " " and resid 6 and name HB ))
(( segid " " and resid 3 and name HB1 ))
3.900 1.900 1.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.12505E-02 ppm1 1.896 ppm2 2.768 CV 1
ASSI { 483}
(( segid " " and resid 6 and name HB ))
(( segid " " and resid 3 and name HB2 ))
3.900 1.900 1.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.13395E-02 ppm1 1.896 ppm2 3.168 CV 1
ASSI { 484}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 6 and name HG2%)
4.500 2.500 1.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.24881E-03 ppm1 8.397 ppm2 0.881 CV 1
ASSI { 485}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 6 and name HG11))
4.500 2.500 1.500 peak 485 spectrum 1 weight 0.10000E+01 volume 0.29451E-03 ppm1 8.396 ppm2 1.170 CV 1
ASSI { 486}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 10 and name HG2 ))
3.000 1.100 1.100 peak 486 spectrum 1 weight 0.10000E+01 volume 0.36087E-02 ppm1 0.879 ppm2 2.446 CV 1
OR { 486}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 10 and name HG1 ))
ASSI { 487}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
2.700 0.900 0.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.41091E-02 ppm1 8.094 ppm2 4.734 CV 1
ASSI { 488}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB2 ))
2.600 0.900 0.900 peak 488 spectrum 1 weight 0.10000E+01 volume 0.37620E-02 ppm1 8.096 ppm2 2.939 CV 1
ASSI { 489}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
2.900 1.000 1.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.29980E-02 ppm1 8.095 ppm2 4.589 CV 1
ASSI { 490}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HN ))
2.700 0.900 0.900 peak 490 spectrum 1 weight 0.10000E+01 volume 0.31879E-02 ppm1 8.095 ppm2 8.725 CV 1
ASSI { 491}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 19 and name HB ))
5.400 3.600 0.600 peak 491 spectrum 1 weight 0.10000E+01 volume 0.10050E-03 ppm1 7.291 ppm2 1.905 CV 1
ASSI { 492}
( segid " " and resid 14 and name HD% )
( segid " " and resid 19 and name HG2%)
4.500 2.500 1.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.21475E-03 ppm1 7.294 ppm2 0.793 CV 1
ASSI { 493}
( segid " " and resid 14 and name HD% )
( segid " " and resid 19 and name HG1%)
5.400 3.600 0.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.11071E-03 ppm1 7.291 ppm2 0.687 CV 1
ASSI { 494}
( segid " " and resid 14 and name HE% )
( segid " " and resid 19 and name HG2%)
4.800 2.900 1.200 peak 494 spectrum 1 weight 0.10000E+01 volume 0.12156E-03 ppm1 7.369 ppm2 0.766 CV 1
OR { 494}
(( segid " " and resid 14 and name HZ ))
( segid " " and resid 19 and name HG2%)
ASSI { 495}
( segid " " and resid 14 and name HE% )
( segid " " and resid 19 and name HG1%)
5.400 3.600 0.600 peak 495 spectrum 1 weight 0.10000E+01 volume 0.20797E-03 ppm1 7.371 ppm2 0.680 CV 1
OR { 495}
(( segid " " and resid 14 and name HZ ))
( segid " " and resid 19 and name HG1%)
ASSI { 496}
( segid " " and resid 13 and name HD% )
( segid " " and resid 19 and name HG1%)
5.400 3.600 0.600 peak 496 spectrum 1 weight 0.10000E+01 volume 0.10107E-03 ppm1 6.784 ppm2 0.684 CV 1
ASSI { 497}
( segid " " and resid 13 and name HD% )
( segid " " and resid 19 and name HG2%)
4.800 2.900 1.200 peak 497 spectrum 1 weight 0.10000E+01 volume 0.14687E-03 ppm1 6.784 ppm2 0.763 CV 1
ASSI { 498}
( segid " " and resid 13 and name HE% )
( segid " " and resid 19 and name HG2%)
4.800 2.900 1.200 peak 498 spectrum 1 weight 0.10000E+01 volume 0.13867E-03 ppm1 6.691 ppm2 0.764 CV 1
ASSI { 88}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 17 and name HN ))
5.000 3.200 1.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.71535E-04 ppm1 7.283 ppm2 8.141 CV 1
OR { 88}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 12 and name HN ))
ASSI { 92}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 12 and name HN ))
4.100 2.100 1.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.16156E-03 ppm1 7.372 ppm2 8.142 CV 1
OR { 92}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 17 and name HN ))
ASSI { 180}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 17 and name HB1 ))
4.000 2.000 2.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.41997E-03 ppm1 6.782 ppm2 1.903 CV 1
OR { 180}
( segid " " and resid 13 and name HD% )
(( segid " " and resid 12 and name HB1 ))
ASSI { 194}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 11 and name HA ))
2.100 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.72434E-02 ppm1 7.293 ppm2 4.270 CV 1
OR { 194}
( segid " " and resid 14 and name HD% )
(( segid " " and resid 14 and name HA ))
ASSI { 233}
(( segid " " and resid 21 and name HD1 ))
(( segid " " and resid 21 and name HB2 ))
2.700 0.900 0.900 peak 233 spectrum 1 weight 0.10000E+01 volume 0.33822E-02 ppm1 7.167 ppm2 3.199 CV 1
OR { 233}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HB1 ))
ASSI { 326}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 7 and name HA ))
4.400 2.400 1.600 peak 326 spectrum 1 weight 0.10000E+01 volume 0.45211E-03 ppm1 0.879 ppm2 4.655 CV 1
OR { 326}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 8 and name HA ))
ASSI { 328}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 3 and name HB2 ))
4.400 2.400 1.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.44093E-03 ppm1 0.880 ppm2 3.147 CV 1
OR { 328}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 11 and name HB2 ))
ASSI { 332}
( segid " " and resid 6 and name HD1%)
(( segid " " and resid 3 and name HB2 ))
3.600 1.600 1.600 peak 332 spectrum 1 weight 0.10000E+01 volume 0.31356E-03 ppm1 0.813 ppm2 3.166 CV 1
OR { 332}
( segid " " and resid 6 and name HD1%)
(( segid " " and resid 11 and name HB2 ))
ASSI { 335}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 7 and name HA ))
2.600 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.40112E-02 ppm1 2.771 ppm2 4.651 CV 1
OR { 335}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HA ))
ASSI { 370}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 15 and name HB1 ))
2.200 0.600 0.600 peak 370 spectrum 1 weight 0.10000E+01 volume 0.85291E-02 ppm1 4.152 ppm2 2.936 CV 1
OR { 370}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 13 and name HB1 ))
OR { 370}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 379}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB1 ))
2.100 0.500 0.500 peak 379 spectrum 1 weight 0.10000E+01 volume 0.12337E-01 ppm1 4.149 ppm2 1.897 CV 1
OR { 379}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB ))
ASSI { 396}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB1 ))
2.200 0.600 0.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.11085E-01 ppm1 4.275 ppm2 3.085 CV 1
OR { 396}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB1 ))
ASSI { 397}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB2 ))
2.000 0.500 0.500 peak 397 spectrum 1 weight 0.10000E+01 volume 0.12411E-01 ppm1 4.269 ppm2 3.166 CV 1
OR { 397}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 407}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HA ))
2.100 0.600 0.600 peak 407 spectrum 1 weight 0.10000E+01 volume 0.13056E-01 ppm1 3.202 ppm2 4.576 CV 1
OR { 407}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HA ))
ASSI { 414}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HB2 ))
1.700 0.400 0.500 peak 414 spectrum 1 weight 0.10000E+01 volume 0.20713E-01 ppm1 1.909 ppm2 2.003 CV 1
OR { 414}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 476}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 5 and name HB1 ))
3.000 1.100 1.100 peak 476 spectrum 1 weight 0.10000E+01 volume 0.21822E-02 ppm1 4.151 ppm2 2.765 CV 1
OR { 476}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HB1 ))
OR { 476}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 3 and name HB1 ))
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