NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
23477 |
2jvy   |
15500 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! unambiguous NOEs
ASSI { 1}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HG1 ))
4.000 2.000 2.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.29558E-03 ppm1 9.195 ppm2 1.328 CV 1
OR { 1}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HG2 ))
ASSI { 2}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB1 ))
3.000 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.14481E-02 ppm1 9.197 ppm2 1.767 CV 1
OR { 2}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 3}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA ))
3.800 1.800 1.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.28768E-03 ppm1 9.010 ppm2 4.567 CV 1
ASSI { 4}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB2 ))
3.300 1.400 1.400 peak 4 spectrum 1 weight 0.10000E+01 volume 0.87222E-03 ppm1 8.997 ppm2 3.228 CV 1
ASSI { 5}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB1 ))
3.100 1.200 1.200 peak 5 spectrum 1 weight 0.10000E+01 volume 0.89922E-03 ppm1 8.994 ppm2 2.655 CV 1
ASSI { 7}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB ))
2.800 1.000 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.24218E-02 ppm1 8.694 ppm2 2.240 CV 1
ASSI { 8}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 23 and name HG2%)
2.700 0.900 0.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.34370E-02 ppm1 8.693 ppm2 1.235 CV 1
ASSI { 9}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 23 and name HG1%)
2.900 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.20430E-02 ppm1 8.693 ppm2 1.108 CV 1
ASSI { 10}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
3.200 1.300 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.10262E-02 ppm1 8.664 ppm2 4.163 CV 1
ASSI { 11}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB1 ))
3.000 1.100 1.100 peak 11 spectrum 1 weight 0.10000E+01 volume 0.11152E-02 ppm1 8.666 ppm2 1.871 CV 1
ASSI { 12}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB2 ))
3.100 1.200 1.200 peak 12 spectrum 1 weight 0.10000E+01 volume 0.13999E-02 ppm1 8.659 ppm2 2.966 CV 1
ASSI { 13}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB ))
2.400 0.700 0.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.56269E-02 ppm1 8.601 ppm2 3.941 CV 1
OR { 13}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
ASSI { 14}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 18 and name HG2%)
3.800 1.800 1.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.12756E-02 ppm1 8.601 ppm2 1.419 CV 1
ASSI { 15}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
2.800 1.000 1.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.25154E-02 ppm1 8.361 ppm2 4.049 CV 1
ASSI { 16}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB1 ))
3.100 1.200 1.200 peak 16 spectrum 1 weight 0.10000E+01 volume 0.28686E-02 ppm1 8.363 ppm2 2.141 CV 1
ASSI { 17}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB2 ))
2.300 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.47425E-02 ppm1 8.362 ppm2 2.226 CV 1
ASSI { 18}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG1 ))
3.000 1.100 1.100 peak 18 spectrum 1 weight 0.10000E+01 volume 0.29915E-02 ppm1 8.360 ppm2 2.483 CV 1
OR { 18}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 19}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
3.100 1.200 1.200 peak 19 spectrum 1 weight 0.10000E+01 volume 0.13578E-02 ppm1 8.247 ppm2 4.254 CV 1
ASSI { 20}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB1 ))
2.400 0.700 0.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.69122E-02 ppm1 8.250 ppm2 2.524 CV 1
OR { 20}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 21}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA ))
2.700 0.900 0.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.31997E-02 ppm1 8.208 ppm2 4.152 CV 1
ASSI { 22}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HG1 ))
3.100 1.200 1.200 peak 22 spectrum 1 weight 0.10000E+01 volume 0.18880E-02 ppm1 8.209 ppm2 2.256 CV 1
OR { 22}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HG2 ))
ASSI { 23}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB2 ))
3.300 1.400 1.400 peak 23 spectrum 1 weight 0.10000E+01 volume 0.99651E-03 ppm1 8.209 ppm2 2.018 CV 1
ASSI { 24}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB1 ))
3.200 1.300 1.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.24899E-02 ppm1 8.208 ppm2 1.852 CV 1
ASSI { 25}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
2.200 0.600 0.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.69943E-02 ppm1 8.155 ppm2 4.333 CV 1
ASSI { 26}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 13 and name HB% )
2.300 0.700 0.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.55356E-02 ppm1 8.155 ppm2 1.434 CV 1
ASSI { 29}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
4.200 2.200 1.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.24016E-03 ppm1 8.158 ppm2 4.629 CV 1
ASSI { 30}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB2 ))
2.500 0.800 0.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.44850E-02 ppm1 8.156 ppm2 2.950 CV 1
OR { 30}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB1 ))
ASSI { 31}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HA ))
2.800 1.000 1.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.25542E-02 ppm1 8.092 ppm2 3.909 CV 1
ASSI { 32}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG2 ))
3.500 1.500 1.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.19929E-02 ppm1 8.091 ppm2 2.536 CV 1
OR { 32}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG1 ))
ASSI { 33}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
2.400 0.700 0.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.60861E-02 ppm1 8.091 ppm2 1.910 CV 1
OR { 33}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB1 ))
ASSI { 34}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA ))
3.400 1.400 1.400 peak 34 spectrum 1 weight 0.10000E+01 volume 0.86904E-03 ppm1 8.081 ppm2 4.391 CV 1
ASSI { 35}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB1 ))
3.600 1.600 1.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.10161E-02 ppm1 8.079 ppm2 2.954 CV 1
OR { 35}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB2 ))
ASSI { 37}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB2 ))
2.200 0.600 0.600 peak 37 spectrum 1 weight 0.10000E+01 volume 0.64266E-02 ppm1 8.028 ppm2 3.232 CV 1
ASSI { 38}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB1 ))
3.100 1.200 1.200 peak 38 spectrum 1 weight 0.10000E+01 volume 0.37207E-02 ppm1 8.032 ppm2 2.258 CV 1
ASSI { 39}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
2.500 0.800 0.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.54564E-02 ppm1 8.032 ppm2 4.166 CV 1
ASSI { 40}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB1 ))
3.400 1.500 1.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.17792E-02 ppm1 8.030 ppm2 1.849 CV 1
ASSI { 41}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB2 ))
3.300 1.300 1.300 peak 41 spectrum 1 weight 0.10000E+01 volume 0.80117E-03 ppm1 8.024 ppm2 2.031 CV 1
ASSI { 42}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HA ))
3.000 1.100 1.100 peak 42 spectrum 1 weight 0.10000E+01 volume 0.19312E-02 ppm1 7.936 ppm2 4.257 CV 1
ASSI { 43}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB1 ))
3.000 1.100 1.100 peak 43 spectrum 1 weight 0.10000E+01 volume 0.30793E-02 ppm1 7.937 ppm2 1.944 CV 1
ASSI { 44}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB2 ))
3.900 1.900 1.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.42113E-03 ppm1 7.937 ppm2 2.112 CV 1
ASSI { 45}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
3.500 1.500 1.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.52711E-03 ppm1 7.816 ppm2 4.945 CV 1
ASSI { 46}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB2 ))
2.900 1.100 1.100 peak 46 spectrum 1 weight 0.10000E+01 volume 0.25554E-02 ppm1 7.821 ppm2 2.681 CV 1
OR { 46}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB1 ))
ASSI { 47}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA ))
3.000 1.100 1.100 peak 47 spectrum 1 weight 0.10000E+01 volume 0.16699E-02 ppm1 7.737 ppm2 4.304 CV 1
ASSI { 48}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HG2 ))
4.400 2.400 1.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.55367E-03 ppm1 7.739 ppm2 2.730 CV 1
ASSI { 49}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HG1 ))
4.000 2.000 2.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.81077E-03 ppm1 7.739 ppm2 2.610 CV 1
ASSI { 50}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB1 ))
2.600 0.800 0.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.45253E-02 ppm1 7.739 ppm2 2.129 CV 1
OR { 50}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB2 ))
ASSI { 52}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB2 ))
2.400 0.700 0.700 peak 52 spectrum 1 weight 0.10000E+01 volume 0.42177E-02 ppm1 7.694 ppm2 2.240 CV 1
ASSI { 54}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HG12))
3.000 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.15918E-02 ppm1 7.686 ppm2 1.374 CV 1
ASSI { 55}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HG11))
3.400 1.400 1.400 peak 55 spectrum 1 weight 0.10000E+01 volume 0.10836E-02 ppm1 7.686 ppm2 1.069 CV 1
ASSI { 56}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 27 and name HG2%)
3.900 1.900 1.900 peak 56 spectrum 1 weight 0.10000E+01 volume 0.59682E-03 ppm1 7.687 ppm2 0.780 CV 1
ASSI { 57}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA ))
2.500 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.49862E-02 ppm1 7.684 ppm2 4.184 CV 1
ASSI { 58}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB1 ))
2.400 0.700 0.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.43709E-02 ppm1 7.680 ppm2 3.017 CV 1
ASSI { 59}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB2 ))
2.700 0.900 0.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.38296E-02 ppm1 7.683 ppm2 3.780 CV 1
ASSI { 60}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
3.100 1.200 1.200 peak 60 spectrum 1 weight 0.10000E+01 volume 0.10133E-02 ppm1 7.653 ppm2 4.327 CV 1
ASSI { 61}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG2 ))
2.900 1.100 1.100 peak 61 spectrum 1 weight 0.10000E+01 volume 0.20105E-02 ppm1 7.656 ppm2 2.188 CV 1
ASSI { 62}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB2 ))
3.000 1.100 1.100 peak 62 spectrum 1 weight 0.10000E+01 volume 0.21133E-02 ppm1 7.653 ppm2 1.740 CV 1
ASSI { 63}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB1 ))
3.000 1.100 1.100 peak 63 spectrum 1 weight 0.10000E+01 volume 0.25081E-02 ppm1 7.652 ppm2 1.640 CV 1
ASSI { 64}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
2.800 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.24486E-02 ppm1 7.488 ppm2 3.736 CV 1
ASSI { 65}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB ))
2.300 0.700 0.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.60248E-02 ppm1 7.487 ppm2 1.933 CV 1
ASSI { 66}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HG12))
3.300 1.300 1.300 peak 66 spectrum 1 weight 0.10000E+01 volume 0.41170E-02 ppm1 7.489 ppm2 1.725 CV 1
ASSI { 67}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HG11))
2.400 0.700 0.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.30156E-02 ppm1 7.488 ppm2 1.176 CV 1
ASSI { 68}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 21 and name HG2%)
4.300 2.300 1.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.76262E-03 ppm1 7.488 ppm2 0.905 CV 1
ASSI { 69}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 21 and name HD1%)
4.500 2.500 1.500 peak 69 spectrum 1 weight 0.10000E+01 volume 0.68839E-03 ppm1 7.488 ppm2 0.825 CV 1
ASSI { 70}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
2.800 1.000 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.22641E-02 ppm1 6.952 ppm2 3.611 CV 1
ASSI { 71}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB2 ))
3.100 1.200 1.200 peak 71 spectrum 1 weight 0.10000E+01 volume 0.14537E-02 ppm1 6.955 ppm2 2.713 CV 1
OR { 71}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB1 ))
ASSI { 72}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
3.300 1.400 1.400 peak 72 spectrum 1 weight 0.10000E+01 volume 0.11912E-02 ppm1 6.954 ppm2 4.439 CV 1
ASSI { 74}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HN ))
2.200 0.600 0.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.45535E-02 ppm1 8.031 ppm2 9.194 CV 1
ASSI { 75}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HN ))
2.800 1.000 1.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.21323E-02 ppm1 8.032 ppm2 8.658 CV 1
ASSI { 77}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
2.700 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.30128E-02 ppm1 8.249 ppm2 8.598 CV 1
ASSI { 78}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
2.800 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.19775E-02 ppm1 8.693 ppm2 7.735 CV 1
ASSI { 81}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
3.100 1.200 1.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.13274E-02 ppm1 7.683 ppm2 8.690 CV 1
ASSI { 82}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HN ))
2.700 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.25902E-02 ppm1 8.603 ppm2 7.691 CV 1
ASSI { 84}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 4 and name HN ))
3.800 1.800 1.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.83436E-03 ppm1 7.938 ppm2 8.160 CV 1
ASSI { 86}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HN ))
3.700 1.700 1.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.14038E-02 ppm1 8.161 ppm2 7.816 CV 1
ASSI { 89}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
4.000 2.000 2.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.58867E-03 ppm1 6.956 ppm2 8.093 CV 1
ASSI { 90}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
2.400 0.700 0.700 peak 90 spectrum 1 weight 0.10000E+01 volume 0.54017E-02 ppm1 8.244 ppm2 8.087 CV 1
ASSI { 93}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HN ))
2.500 0.800 0.800 peak 93 spectrum 1 weight 0.10000E+01 volume 0.35261E-02 ppm1 7.688 ppm2 8.364 CV 1
ASSI { 94}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
2.700 0.900 0.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.20681E-02 ppm1 8.364 ppm2 7.486 CV 1
ASSI { 96}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
2.800 1.000 1.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.17379E-02 ppm1 7.684 ppm2 7.486 CV 1
ASSI { 98}
( segid " " and resid 11 and name HE% )
( segid " " and resid 11 and name HD% )
2.000 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.85598E-02 ppm1 6.440 ppm2 6.297 CV 1
ASSI { 100}
(( segid " " and resid 22 and name HE1 ))
(( segid " " and resid 22 and name HD2 ))
2.700 2.700 3.300 peak 100 spectrum 1 weight 0.10000E+01 volume 0.41966E-02 ppm1 7.533 ppm2 6.993 CV 1
ASSI { 102}
( segid " " and resid 4 and name HE% )
( segid " " and resid 4 and name HD% )
2.000 0.500 0.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.91737E-02 ppm1 7.280 ppm2 6.978 CV 1
ASSI { 104}
( segid " " and resid 26 and name HE% )
( segid " " and resid 26 and name HD% )
2.100 0.500 0.500 peak 104 spectrum 1 weight 0.10000E+01 volume 0.70463E-02 ppm1 7.250 ppm2 7.026 CV 1
ASSI { 107}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 23 and name HN ))
3.400 1.500 1.500 peak 107 spectrum 1 weight 0.10000E+01 volume 0.87222E-03 ppm1 6.995 ppm2 8.690 CV 1
ASSI { 108}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 11 and name HD% )
4.700 2.800 1.300 peak 108 spectrum 1 weight 0.10000E+01 volume 0.39229E-03 ppm1 8.665 ppm2 6.291 CV 1
ASSI { 111}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 16 and name HN ))
3.900 1.900 1.900 peak 111 spectrum 1 weight 0.10000E+01 volume 0.74186E-03 ppm1 8.603 ppm2 8.076 CV 1
ASSI { 113}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 15 and name HN ))
4.200 2.200 1.800 peak 113 spectrum 1 weight 0.10000E+01 volume 0.31610E-03 ppm1 8.603 ppm2 6.956 CV 1
ASSI { 115}
( segid " " and resid 4 and name HE% )
(( segid " " and resid 16 and name HN ))
2.800 1.000 1.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.18586E-02 ppm1 7.281 ppm2 8.090 CV 1
ASSI { 117}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 11 and name HE% )
4.500 2.500 1.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.24373E-03 ppm1 8.161 ppm2 6.441 CV 1
ASSI { 119}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 13 and name HN ))
4.200 2.200 1.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.21729E-03 ppm1 6.304 ppm2 8.157 CV 1
ASSI { 121}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 12 and name HN ))
3.000 1.100 1.100 peak 121 spectrum 1 weight 0.10000E+01 volume 0.15139E-02 ppm1 6.300 ppm2 7.644 CV 1
ASSI { 123}
( segid " " and resid 11 and name HE% )
(( segid " " and resid 12 and name HN ))
3.300 1.400 1.400 peak 123 spectrum 1 weight 0.10000E+01 volume 0.96558E-03 ppm1 6.440 ppm2 7.660 CV 1
ASSI { 125}
( segid " " and resid 4 and name HD% )
(( segid " " and resid 4 and name HN ))
2.700 0.900 0.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.21482E-02 ppm1 6.980 ppm2 8.153 CV 1
ASSI { 126}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 26 and name HD% )
4.300 2.300 1.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.16424E-03 ppm1 8.065 ppm2 7.048 CV 1
ASSI { 127}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA ))
2.700 0.900 0.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.18691E-02 ppm1 9.008 ppm2 4.934 CV 1
ASSI { 128}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HD2 ))
4.200 2.200 1.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.11194E-03 ppm1 9.196 ppm2 4.195 CV 1
ASSI { 129}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA ))
3.400 1.400 1.400 peak 129 spectrum 1 weight 0.10000E+01 volume 0.12742E-02 ppm1 8.692 ppm2 4.182 CV 1
ASSI { 130}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HA ))
3.200 1.300 1.300 peak 130 spectrum 1 weight 0.10000E+01 volume 0.11502E-02 ppm1 8.695 ppm2 4.054 CV 1
ASSI { 131}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
3.300 1.400 1.400 peak 131 spectrum 1 weight 0.10000E+01 volume 0.12570E-02 ppm1 8.602 ppm2 4.253 CV 1
ASSI { 132}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 15 and name HA ))
4.000 2.000 2.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.14685E-03 ppm1 8.607 ppm2 3.605 CV 1
ASSI { 133}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 17 and name HA ))
2.900 1.100 1.100 peak 133 spectrum 1 weight 0.10000E+01 volume 0.21208E-02 ppm1 8.362 ppm2 4.250 CV 1
ASSI { 134}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB2 ))
4.300 2.400 1.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.29549E-03 ppm1 8.347 ppm2 3.787 CV 1
ASSI { 135}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
3.100 1.200 1.200 peak 135 spectrum 1 weight 0.10000E+01 volume 0.17576E-02 ppm1 8.249 ppm2 3.912 CV 1
ASSI { 136}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HA ))
4.300 2.300 1.700 peak 136 spectrum 1 weight 0.10000E+01 volume 0.66764E-03 ppm1 8.244 ppm2 3.615 CV 1
ASSI { 137}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
2.500 0.800 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.47783E-02 ppm1 8.093 ppm2 3.610 CV 1
ASSI { 138}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
3.300 1.400 1.400 peak 138 spectrum 1 weight 0.10000E+01 volume 0.14604E-02 ppm1 8.028 ppm2 4.402 CV 1
ASSI { 139}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HA ))
3.000 1.100 1.100 peak 139 spectrum 1 weight 0.10000E+01 volume 0.20849E-02 ppm1 7.940 ppm2 4.322 CV 1
ASSI { 140}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB2 ))
4.100 2.100 1.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.37591E-03 ppm1 7.932 ppm2 3.781 CV 1
ASSI { 141}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
2.700 0.900 0.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.28097E-02 ppm1 7.821 ppm2 4.638 CV 1
ASSI { 142}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
3.200 1.300 1.300 peak 142 spectrum 1 weight 0.10000E+01 volume 0.14061E-02 ppm1 7.733 ppm2 3.786 CV 1
ASSI { 143}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
3.000 1.100 1.100 peak 143 spectrum 1 weight 0.10000E+01 volume 0.19450E-02 ppm1 7.683 ppm2 3.737 CV 1
ASSI { 144}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
3.100 1.200 1.200 peak 144 spectrum 1 weight 0.10000E+01 volume 0.15115E-02 ppm1 7.490 ppm2 4.050 CV 1
ASSI { 145}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 18 and name HA ))
3.400 1.400 1.400 peak 145 spectrum 1 weight 0.10000E+01 volume 0.88685E-03 ppm1 7.490 ppm2 3.924 CV 1
ASSI { 146}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 13 and name HA ))
4.700 2.700 1.300 peak 146 spectrum 1 weight 0.10000E+01 volume 0.37240E-03 ppm1 6.954 ppm2 4.344 CV 1
ASSI { 147}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HB ))
2.700 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.25035E-02 ppm1 6.957 ppm2 3.948 CV 1
ASSI { 148}
( segid " " and resid 11 and name HE% )
(( segid " " and resid 11 and name HA ))
3.100 3.100 2.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.30890E-02 ppm1 6.443 ppm2 4.160 CV 1
ASSI { 149}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 11 and name HA ))
2.400 0.700 0.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.49757E-02 ppm1 6.303 ppm2 4.160 CV 1
ASSI { 150}
( segid " " and resid 11 and name HE% )
(( segid " " and resid 13 and name HA ))
3.000 1.100 1.100 peak 150 spectrum 1 weight 0.10000E+01 volume 0.18377E-02 ppm1 6.446 ppm2 4.317 CV 1
ASSI { 151}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 13 and name HA ))
3.700 1.700 1.700 peak 151 spectrum 1 weight 0.10000E+01 volume 0.66237E-03 ppm1 6.303 ppm2 4.315 CV 1
ASSI { 152}
( segid " " and resid 11 and name HE% )
(( segid " " and resid 22 and name HB2 ))
2.700 0.900 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.15853E-02 ppm1 6.443 ppm2 3.777 CV 1
ASSI { 153}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 22 and name HB2 ))
3.500 1.600 1.600 peak 153 spectrum 1 weight 0.10000E+01 volume 0.48986E-03 ppm1 6.304 ppm2 3.777 CV 1
ASSI { 154}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 22 and name HA ))
3.500 1.500 1.500 peak 154 spectrum 1 weight 0.10000E+01 volume 0.14622E-02 ppm1 6.995 ppm2 4.173 CV 1
ASSI { 156}
( segid " " and resid 4 and name HD% )
(( segid " " and resid 4 and name HA ))
2.600 0.800 0.800 peak 156 spectrum 1 weight 0.10000E+01 volume 0.37105E-02 ppm1 6.978 ppm2 4.636 CV 1
ASSI { 157}
( segid " " and resid 4 and name HE% )
(( segid " " and resid 4 and name HA ))
3.600 1.700 1.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.94610E-03 ppm1 7.279 ppm2 4.647 CV 1
ASSI { 158}
( segid " " and resid 4 and name HD% )
(( segid " " and resid 14 and name HA ))
3.400 1.500 1.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.69313E-03 ppm1 6.981 ppm2 4.437 CV 1
ASSI { 159}
( segid " " and resid 4 and name HE% )
(( segid " " and resid 16 and name HA ))
3.400 1.400 1.400 peak 159 spectrum 1 weight 0.10000E+01 volume 0.97206E-03 ppm1 7.276 ppm2 3.901 CV 1
ASSI { 160}
( segid " " and resid 4 and name HD% )
(( segid " " and resid 16 and name HA ))
2.700 0.900 0.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.25720E-02 ppm1 6.979 ppm2 3.910 CV 1
ASSI { 161}
( segid " " and resid 4 and name HE% )
(( segid " " and resid 15 and name HA ))
2.600 0.900 0.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.27700E-02 ppm1 7.281 ppm2 3.612 CV 1
ASSI { 162}
( segid " " and resid 4 and name HD% )
(( segid " " and resid 15 and name HA ))
2.500 0.800 0.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.37107E-02 ppm1 6.983 ppm2 3.609 CV 1
ASSI { 163}
( segid " " and resid 26 and name HE% )
(( segid " " and resid 26 and name HA ))
3.900 1.900 1.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.14853E-03 ppm1 7.250 ppm2 4.373 CV 1
ASSI { 164}
( segid " " and resid 26 and name HD% )
(( segid " " and resid 26 and name HA ))
2.800 1.000 1.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.34380E-02 ppm1 7.033 ppm2 4.376 CV 1
ASSI { 165}
( segid " " and resid 26 and name HE% )
(( segid " " and resid 25 and name HA ))
3.900 1.200 1.200 peak 165 spectrum 1 weight 0.10000E+01 volume 0.11846E-02 ppm1 7.253 ppm2 4.159 CV 1
ASSI { 166}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB1 ))
2.900 1.100 1.100 peak 166 spectrum 1 weight 0.10000E+01 volume 0.11202E-02 ppm1 8.694 ppm2 3.011 CV 1
ASSI { 167}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 9 and name HB2 ))
3.100 1.200 1.200 peak 167 spectrum 1 weight 0.10000E+01 volume 0.11825E-02 ppm1 8.664 ppm2 3.230 CV 1
ASSI { 168}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB1 ))
2.700 0.900 0.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.38597E-02 ppm1 8.598 ppm2 2.525 CV 1
OR { 168}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 169}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB1 ))
2.900 1.100 1.100 peak 169 spectrum 1 weight 0.10000E+01 volume 0.11291E-02 ppm1 8.362 ppm2 1.429 CV 1
ASSI { 171}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HB1 ))
2.800 1.000 1.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.31422E-02 ppm1 8.249 ppm2 2.682 CV 1
OR { 171}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HB2 ))
ASSI { 172}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
2.900 1.100 1.100 peak 172 spectrum 1 weight 0.10000E+01 volume 0.22576E-02 ppm1 8.248 ppm2 1.911 CV 1
OR { 172}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB1 ))
ASSI { 173}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG1 ))
3.800 1.800 1.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.10711E-02 ppm1 8.157 ppm2 2.131 CV 1
ASSI { 174}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 5 and name HB1 ))
4.300 2.300 1.700 peak 174 spectrum 1 weight 0.10000E+01 volume 0.64422E-03 ppm1 8.155 ppm2 2.687 CV 1
ASSI { 176}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB2 ))
3.600 1.600 1.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.11428E-02 ppm1 8.153 ppm2 1.742 CV 1
ASSI { 177}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB1 ))
3.300 1.300 1.300 peak 177 spectrum 1 weight 0.10000E+01 volume 0.28697E-02 ppm1 8.156 ppm2 1.638 CV 1
ASSI { 178}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB1 ))
2.600 0.800 0.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.43712E-02 ppm1 8.093 ppm2 2.690 CV 1
OR { 178}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB2 ))
ASSI { 180}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HG2 ))
4.600 2.600 1.400 peak 180 spectrum 1 weight 0.10000E+01 volume 0.36582E-03 ppm1 8.080 ppm2 2.246 CV 1
ASSI { 181}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB2 ))
4.500 2.500 1.500 peak 181 spectrum 1 weight 0.10000E+01 volume 0.24947E-03 ppm1 8.081 ppm2 2.002 CV 1
ASSI { 182}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 6 and name HB1 ))
2.800 1.000 1.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.14085E-02 ppm1 8.029 ppm2 2.656 CV 1
ASSI { 183}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB1 ))
2.600 0.900 0.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.54517E-02 ppm1 8.028 ppm2 1.770 CV 1
OR { 183}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 184}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HG1 ))
4.400 2.400 1.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.70140E-03 ppm1 8.029 ppm2 1.334 CV 1
OR { 184}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HG2 ))
ASSI { 185}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB1 ))
3.300 1.400 1.400 peak 185 spectrum 1 weight 0.10000E+01 volume 0.82355E-03 ppm1 7.822 ppm2 2.951 CV 1
OR { 185}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB2 ))
ASSI { 186}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB ))
3.100 1.200 1.200 peak 186 spectrum 1 weight 0.10000E+01 volume 0.18679E-02 ppm1 7.738 ppm2 2.244 CV 1
ASSI { 187}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 21 and name HG12))
3.600 3.600 2.400 peak 187 spectrum 1 weight 0.10000E+01 volume 0.24973E-03 ppm1 7.737 ppm2 1.714 CV 1
ASSI { 188}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 21 and name HB ))
4.200 2.200 1.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.10887E-03 ppm1 7.741 ppm2 1.928 CV 1
ASSI { 189}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 23 and name HG2%)
3.600 1.600 1.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.10028E-02 ppm1 7.736 ppm2 1.235 CV 1
ASSI { 190}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 23 and name HG1%)
3.800 1.800 1.800 peak 190 spectrum 1 weight 0.10000E+01 volume 0.63931E-03 ppm1 7.741 ppm2 1.103 CV 1
ASSI { 192}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB ))
3.300 1.400 1.400 peak 192 spectrum 1 weight 0.10000E+01 volume 0.71729E-03 ppm1 7.686 ppm2 1.932 CV 1
ASSI { 193}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB1 ))
2.200 0.600 0.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.68267E-02 ppm1 7.692 ppm2 1.440 CV 1
ASSI { 195}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB2 ))
4.200 2.200 1.800 peak 195 spectrum 1 weight 0.10000E+01 volume 0.76990E-03 ppm1 7.647 ppm2 2.984 CV 1
ASSI { 196}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HG1 ))
4.500 2.600 1.500 peak 196 spectrum 1 weight 0.10000E+01 volume 0.28260E-03 ppm1 7.487 ppm2 2.486 CV 1
OR { 196}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 197}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB2 ))
3.100 1.200 1.200 peak 197 spectrum 1 weight 0.10000E+01 volume 0.13095E-02 ppm1 7.486 ppm2 2.228 CV 1
ASSI { 198}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB1 ))
3.100 1.200 1.200 peak 198 spectrum 1 weight 0.10000E+01 volume 0.13648E-02 ppm1 7.488 ppm2 2.140 CV 1
ASSI { 199}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 13 and name HB% )
2.500 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.48771E-02 ppm1 6.957 ppm2 1.434 CV 1
ASSI { 200}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HG1 ))
2.700 0.900 0.900 peak 200 spectrum 1 weight 0.10000E+01 volume 0.30664E-02 ppm1 6.957 ppm2 1.956 CV 1
OR { 200}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HG2 ))
ASSI { 201}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB1 ))
4.500 2.500 1.500 peak 201 spectrum 1 weight 0.10000E+01 volume 0.48632E-03 ppm1 6.958 ppm2 2.085 CV 1
ASSI { 202}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 11 and name HB2 ))
2.200 0.600 0.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.71643E-02 ppm1 6.302 ppm2 2.970 CV 1
ASSI { 203}
( segid " " and resid 11 and name HE% )
(( segid " " and resid 11 and name HB2 ))
3.000 3.000 3.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.38085E-02 ppm1 6.441 ppm2 2.991 CV 1
ASSI { 204}
( segid " " and resid 11 and name HE% )
(( segid " " and resid 6 and name HB1 ))
4.400 2.400 1.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.55661E-03 ppm1 6.439 ppm2 2.651 CV 1
ASSI { 205}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 6 and name HB1 ))
3.100 1.200 1.200 peak 205 spectrum 1 weight 0.10000E+01 volume 0.22891E-02 ppm1 6.304 ppm2 2.655 CV 1
ASSI { 206}
( segid " " and resid 11 and name HE% )
(( segid " " and resid 11 and name HB1 ))
3.600 1.600 1.600 peak 206 spectrum 1 weight 0.10000E+01 volume 0.13860E-02 ppm1 6.440 ppm2 1.872 CV 1
ASSI { 207}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 11 and name HB1 ))
2.100 0.600 0.600 peak 207 spectrum 1 weight 0.10000E+01 volume 0.63966E-02 ppm1 6.302 ppm2 1.871 CV 1
ASSI { 208}
( segid " " and resid 11 and name HE% )
( segid " " and resid 13 and name HB% )
2.000 0.500 0.500 peak 208 spectrum 1 weight 0.10000E+01 volume 0.89072E-02 ppm1 6.445 ppm2 1.434 CV 1
ASSI { 209}
( segid " " and resid 11 and name HD% )
( segid " " and resid 13 and name HB% )
3.100 1.200 1.200 peak 209 spectrum 1 weight 0.10000E+01 volume 0.17696E-02 ppm1 6.305 ppm2 1.436 CV 1
ASSI { 210}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 6 and name HB2 ))
3.000 1.100 1.100 peak 210 spectrum 1 weight 0.10000E+01 volume 0.86286E-03 ppm1 6.303 ppm2 3.216 CV 1
ASSI { 211}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 6 and name HB2 ))
2.900 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.13727E-02 ppm1 6.997 ppm2 3.225 CV 1
ASSI { 212}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 6 and name HB1 ))
3.300 1.300 1.300 peak 212 spectrum 1 weight 0.10000E+01 volume 0.34981E-02 ppm1 6.996 ppm2 2.653 CV 1
ASSI { 213}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 23 and name HB ))
3.700 1.700 1.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.57884E-03 ppm1 6.994 ppm2 2.247 CV 1
ASSI { 214}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 11 and name HB1 ))
3.400 1.400 1.400 peak 214 spectrum 1 weight 0.10000E+01 volume 0.10347E-02 ppm1 6.995 ppm2 1.876 CV 1
ASSI { 215}
(( segid " " and resid 22 and name HD2 ))
( segid " " and resid 23 and name HG1%)
3.000 1.100 1.100 peak 215 spectrum 1 weight 0.10000E+01 volume 0.22727E-02 ppm1 6.997 ppm2 1.105 CV 1
ASSI { 216}
(( segid " " and resid 22 and name HD2 ))
( segid " " and resid 23 and name HG2%)
2.900 1.100 1.100 peak 216 spectrum 1 weight 0.10000E+01 volume 0.23772E-02 ppm1 6.996 ppm2 1.233 CV 1
ASSI { 217}
(( segid " " and resid 22 and name HD2 ))
( segid " " and resid 19 and name HD1%)
2.600 0.900 0.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.38293E-02 ppm1 6.996 ppm2 0.901 CV 1
ASSI { 218}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 22 and name HB1 ))
2.900 1.100 1.100 peak 218 spectrum 1 weight 0.10000E+01 volume 0.13485E-02 ppm1 6.998 ppm2 3.011 CV 1
ASSI { 219}
( segid " " and resid 4 and name HE% )
(( segid " " and resid 4 and name HB1 ))
3.100 1.200 1.200 peak 219 spectrum 1 weight 0.10000E+01 volume 0.30386E-02 ppm1 7.280 ppm2 2.951 CV 1
OR { 219}
( segid " " and resid 4 and name HE% )
(( segid " " and resid 4 and name HB2 ))
ASSI { 220}
( segid " " and resid 4 and name HE% )
(( segid " " and resid 15 and name HB1 ))
3.500 1.500 1.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.15840E-02 ppm1 7.278 ppm2 2.715 CV 1
OR { 220}
( segid " " and resid 4 and name HE% )
(( segid " " and resid 15 and name HB2 ))
ASSI { 221}
( segid " " and resid 4 and name HD% )
(( segid " " and resid 4 and name HB1 ))
2.200 0.600 0.600 peak 221 spectrum 1 weight 0.10000E+01 volume 0.65688E-02 ppm1 6.981 ppm2 2.946 CV 1
OR { 221}
( segid " " and resid 4 and name HD% )
(( segid " " and resid 4 and name HB2 ))
ASSI { 222}
( segid " " and resid 4 and name HE% )
(( segid " " and resid 16 and name HG1 ))
2.900 1.000 1.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.25232E-02 ppm1 7.281 ppm2 2.543 CV 1
OR { 222}
( segid " " and resid 4 and name HE% )
(( segid " " and resid 16 and name HG2 ))
ASSI { 223}
( segid " " and resid 4 and name HE% )
( segid " " and resid 19 and name HD2%)
4.700 2.700 1.300 peak 223 spectrum 1 weight 0.10000E+01 volume 0.23384E-03 ppm1 7.280 ppm2 0.964 CV 1
ASSI { 224}
( segid " " and resid 26 and name HD% )
(( segid " " and resid 25 and name HG1 ))
2.800 2.800 3.200 peak 224 spectrum 1 weight 0.10000E+01 volume 0.10789E-02 ppm1 7.029 ppm2 2.250 CV 1
OR { 224}
( segid " " and resid 26 and name HD% )
(( segid " " and resid 25 and name HG2 ))
ASSI { 225}
( segid " " and resid 26 and name HE% )
(( segid " " and resid 25 and name HB2 ))
3.200 3.200 2.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.51915E-03 ppm1 7.247 ppm2 2.012 CV 1
ASSI { 226}
( segid " " and resid 26 and name HE% )
(( segid " " and resid 25 and name HB1 ))
4.400 2.400 1.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.81534E-04 ppm1 7.248 ppm2 1.864 CV 1
ASSI { 227}
( segid " " and resid 26 and name HD% )
( segid " " and resid 23 and name HG1%)
3.300 1.300 1.300 peak 227 spectrum 1 weight 0.10000E+01 volume 0.77533E-03 ppm1 7.037 ppm2 1.103 CV 1
ASSI { 228}
( segid " " and resid 26 and name HD% )
( segid " " and resid 23 and name HG2%)
3.500 1.500 1.500 peak 228 spectrum 1 weight 0.10000E+01 volume 0.50311E-03 ppm1 7.038 ppm2 1.230 CV 1
ASSI { 229}
( segid " " and resid 26 and name HE% )
( segid " " and resid 23 and name HG1%)
3.600 1.600 1.600 peak 229 spectrum 1 weight 0.10000E+01 volume 0.40454E-03 ppm1 7.247 ppm2 1.104 CV 1
ASSI { 230}
( segid " " and resid 26 and name HE% )
( segid " " and resid 23 and name HG2%)
3.900 1.900 1.900 peak 230 spectrum 1 weight 0.10000E+01 volume 0.26575E-03 ppm1 7.253 ppm2 1.227 CV 1
ASSI { 231}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 5 and name HA ))
2.500 0.800 0.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.25265E-02 ppm1 4.342 ppm2 4.939 CV 1
ASSI { 232}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HA ))
2.800 1.000 1.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.50294E-02 ppm1 3.222 ppm2 5.019 CV 1
ASSI { 234}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 9 and name HA ))
3.500 1.600 1.600 peak 234 spectrum 1 weight 0.10000E+01 volume 0.51885E-03 ppm1 2.261 ppm2 5.023 CV 1
ASSI { 235}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HA ))
2.500 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.40551E-02 ppm1 2.692 ppm2 4.939 CV 1
OR { 235}
(( segid " " and resid 5 and name HB1 ))
(( segid " " and resid 5 and name HA ))
ASSI { 236}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HA ))
2.100 0.600 0.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.89904E-02 ppm1 2.972 ppm2 4.159 CV 1
ASSI { 239}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB1 ))
2.700 0.900 0.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.64746E-02 ppm1 4.202 ppm2 3.012 CV 1
ASSI { 240}
(( segid " " and resid 22 and name HB1 ))
(( segid " " and resid 22 and name HB2 ))
1.800 0.400 0.400 peak 240 spectrum 1 weight 0.10000E+01 volume 0.95824E-02 ppm1 3.031 ppm2 3.777 CV 1
ASSI { 242}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HA ))
2.400 0.700 0.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.33651E-02 ppm1 3.229 ppm2 4.558 CV 1
ASSI { 244}
(( segid " " and resid 4 and name HB1 ))
(( segid " " and resid 4 and name HA ))
2.300 0.700 0.700 peak 244 spectrum 1 weight 0.10000E+01 volume 0.64445E-02 ppm1 2.955 ppm2 4.638 CV 1
OR { 244}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HA ))
ASSI { 245}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HA ))
2.400 0.700 0.700 peak 245 spectrum 1 weight 0.10000E+01 volume 0.78718E-02 ppm1 2.534 ppm2 4.257 CV 1
OR { 245}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HA ))
ASSI { 247}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HB2 ))
1.900 0.400 0.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.74915E-02 ppm1 2.662 ppm2 3.226 CV 1
ASSI { 249}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 15 and name HA ))
2.400 0.700 0.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.67220E-02 ppm1 2.712 ppm2 3.613 CV 1
OR { 249}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HA ))
ASSI { 251}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 11 and name HB2 ))
2.000 0.500 0.500 peak 251 spectrum 1 weight 0.10000E+01 volume 0.66885E-02 ppm1 1.877 ppm2 2.967 CV 1
ASSI { 256}
( segid " " and resid 13 and name HB% )
(( segid " " and resid 13 and name HA ))
2.100 0.600 0.600 peak 256 spectrum 1 weight 0.10000E+01 volume 0.89257E-02 ppm1 1.446 ppm2 4.319 CV 1
ASSI { 257}
(( segid " " and resid 18 and name HB ))
( segid " " and resid 18 and name HG2%)
2.200 0.600 0.600 peak 257 spectrum 1 weight 0.10000E+01 volume 0.78135E-02 ppm1 3.951 ppm2 1.419 CV 1
OR { 257}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 18 and name HG2%)
ASSI { 259}
(( segid " " and resid 6 and name HB1 ))
( segid " " and resid 19 and name HD1%)
3.500 1.500 1.500 peak 259 spectrum 1 weight 0.10000E+01 volume 0.27512E-02 ppm1 2.662 ppm2 0.898 CV 1
ASSI { 262}
(( segid " " and resid 8 and name HG1 ))
(( segid " " and resid 8 and name HA ))
2.400 0.700 0.700 peak 262 spectrum 1 weight 0.10000E+01 volume 0.78684E-02 ppm1 1.346 ppm2 4.406 CV 1
OR { 262}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 8 and name HA ))
ASSI { 263}
(( segid " " and resid 19 and name HB1 ))
(( segid " " and resid 19 and name HA ))
2.400 0.700 0.700 peak 263 spectrum 1 weight 0.10000E+01 volume 0.89824E-02 ppm1 1.442 ppm2 4.162 CV 1
ASSI { 264}
(( segid " " and resid 7 and name HD1 ))
(( segid " " and resid 6 and name HA ))
2.100 0.600 0.600 peak 264 spectrum 1 weight 0.10000E+01 volume 0.64619E-02 ppm1 4.056 ppm2 4.559 CV 1
ASSI { 265}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 6 and name HA ))
2.400 0.700 0.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.59381E-02 ppm1 4.208 ppm2 4.555 CV 1
ASSI { 267}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HD1 ))
2.000 0.500 0.500 peak 267 spectrum 1 weight 0.10000E+01 volume 0.58497E-02 ppm1 4.211 ppm2 4.047 CV 1
ASSI { 268}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HD1 ))
3.700 1.700 1.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.15654E-02 ppm1 2.377 ppm2 4.044 CV 1
ASSI { 269}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HA ))
2.600 0.900 0.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.58988E-02 ppm1 2.384 ppm2 4.535 CV 1
ASSI { 271}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 7 and name HA ))
2.800 1.000 1.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.19366E-02 ppm1 2.136 ppm2 4.539 CV 1
ASSI { 272}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 7 and name HD1 ))
2.600 0.800 0.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.34655E-02 ppm1 2.029 ppm2 4.043 CV 1
OR { 272}
(( segid " " and resid 7 and name HG1 ))
(( segid " " and resid 7 and name HD1 ))
ASSI { 273}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 7 and name HA ))
3.300 1.400 1.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.30254E-02 ppm1 2.022 ppm2 4.536 CV 1
OR { 273}
(( segid " " and resid 7 and name HG1 ))
(( segid " " and resid 7 and name HA ))
ASSI { 274}
(( segid " " and resid 14 and name HD2 ))
(( segid " " and resid 13 and name HA ))
2.300 0.700 0.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.77817E-02 ppm1 3.722 ppm2 4.317 CV 1
ASSI { 275}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 13 and name HA ))
2.100 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.72787E-02 ppm1 3.622 ppm2 4.317 CV 1
ASSI { 278}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 14 and name HB1 ))
2.500 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.50400E-02 ppm1 3.622 ppm2 2.083 CV 1
ASSI { 279}
(( segid " " and resid 14 and name HD2 ))
(( segid " " and resid 14 and name HB1 ))
2.900 1.100 1.100 peak 279 spectrum 1 weight 0.10000E+01 volume 0.58468E-02 ppm1 3.726 ppm2 2.089 CV 1
ASSI { 280}
(( segid " " and resid 14 and name HD2 ))
(( segid " " and resid 14 and name HG2 ))
2.300 0.700 0.700 peak 280 spectrum 1 weight 0.10000E+01 volume 0.59780E-02 ppm1 3.721 ppm2 1.955 CV 1
OR { 280}
(( segid " " and resid 14 and name HD2 ))
(( segid " " and resid 14 and name HG1 ))
ASSI { 281}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 14 and name HG1 ))
2.300 0.700 0.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.62283E-02 ppm1 3.612 ppm2 1.950 CV 1
OR { 281}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 14 and name HG2 ))
ASSI { 282}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 11 and name HB1 ))
2.600 0.800 0.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.36894E-02 ppm1 3.229 ppm2 1.872 CV 1
ASSI { 288}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB1 ))
2.600 0.900 0.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.23462E-02 ppm1 4.343 ppm2 1.643 CV 1
ASSI { 290}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HA ))
2.700 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.31075E-02 ppm1 1.732 ppm2 4.336 CV 1
ASSI { 291}
( segid " " and resid 13 and name HB% )
(( segid " " and resid 14 and name HD2 ))
2.300 0.700 0.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.44027E-02 ppm1 1.441 ppm2 3.720 CV 1
ASSI { 292}
( segid " " and resid 13 and name HB% )
(( segid " " and resid 14 and name HD1 ))
3.000 1.100 1.100 peak 292 spectrum 1 weight 0.10000E+01 volume 0.64255E-02 ppm1 1.434 ppm2 3.614 CV 1
ASSI { 293}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HG2 ))
4.300 2.300 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.27891E-03 ppm1 4.312 ppm2 2.719 CV 1
ASSI { 294}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HG1 ))
3.100 1.200 1.200 peak 294 spectrum 1 weight 0.10000E+01 volume 0.14673E-02 ppm1 4.309 ppm2 2.605 CV 1
ASSI { 295}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB1 ))
2.300 0.700 0.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.85210E-02 ppm1 4.306 ppm2 2.116 CV 1
OR { 295}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB2 ))
ASSI { 297}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB2 ))
2.400 0.700 0.700 peak 297 spectrum 1 weight 0.10000E+01 volume 0.54960E-02 ppm1 4.210 ppm2 3.788 CV 1
ASSI { 299}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 11 and name HA ))
2.600 0.800 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.72521E-02 ppm1 1.879 ppm2 4.168 CV 1
ASSI { 301}
(( segid " " and resid 25 and name HG1 ))
(( segid " " and resid 25 and name HA ))
2.700 0.900 0.900 peak 301 spectrum 1 weight 0.10000E+01 volume 0.43645E-02 ppm1 2.264 ppm2 4.161 CV 1
OR { 301}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HA ))
ASSI { 302}
(( segid " " and resid 20 and name HG1 ))
(( segid " " and resid 20 and name HA ))
2.700 0.900 0.900 peak 302 spectrum 1 weight 0.10000E+01 volume 0.38697E-02 ppm1 2.493 ppm2 4.049 CV 1
OR { 302}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HA ))
ASSI { 304}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
2.500 0.800 0.800 peak 304 spectrum 1 weight 0.10000E+01 volume 0.53851E-02 ppm1 4.063 ppm2 2.231 CV 1
ASSI { 307}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 21 and name HG11))
2.700 0.900 0.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.27623E-02 ppm1 3.935 ppm2 1.164 CV 1
ASSI { 309}
( segid " " and resid 21 and name HD1%)
(( segid " " and resid 18 and name HA ))
2.600 0.800 0.800 peak 309 spectrum 1 weight 0.10000E+01 volume 0.35862E-02 ppm1 0.836 ppm2 3.927 CV 1
ASSI { 311}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HG11))
3.200 1.300 1.300 peak 311 spectrum 1 weight 0.10000E+01 volume 0.14129E-02 ppm1 3.941 ppm2 1.060 CV 1
ASSI { 313}
( segid " " and resid 27 and name HG2%)
(( segid " " and resid 27 and name HA ))
2.600 0.800 0.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.45226E-02 ppm1 0.782 ppm2 3.936 CV 1
ASSI { 315}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB ))
2.700 0.900 0.900 peak 315 spectrum 1 weight 0.10000E+01 volume 0.33778E-02 ppm1 3.927 ppm2 1.707 CV 1
ASSI { 316}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 21 and name HB ))
2.700 0.900 0.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.27327E-02 ppm1 3.931 ppm2 1.931 CV 1
ASSI { 317}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HA ))
2.300 0.600 0.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.89442E-02 ppm1 1.930 ppm2 3.914 CV 1
OR { 317}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HA ))
ASSI { 318}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG2 ))
2.900 1.100 1.100 peak 318 spectrum 1 weight 0.10000E+01 volume 0.25080E-02 ppm1 3.913 ppm2 2.546 CV 1
OR { 318}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG1 ))
ASSI { 320}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 16 and name HA ))
3.200 1.300 1.300 peak 320 spectrum 1 weight 0.10000E+01 volume 0.17883E-02 ppm1 2.249 ppm2 3.910 CV 1
ASSI { 323}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 23 and name HG2%)
2.800 1.000 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.31626E-02 ppm1 3.795 ppm2 1.234 CV 1
ASSI { 325}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 23 and name HG1%)
2.900 1.000 1.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.28433E-02 ppm1 3.796 ppm2 1.106 CV 1
ASSI { 328}
( segid " " and resid 21 and name HD1%)
(( segid " " and resid 21 and name HA ))
4.200 2.200 1.800 peak 328 spectrum 1 weight 0.10000E+01 volume 0.11007E-02 ppm1 0.834 ppm2 3.734 CV 1
ASSI { 329}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG12))
2.900 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.16419E-02 ppm1 3.731 ppm2 1.728 CV 1
ASSI { 331}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 6 and name HB2 ))
2.900 1.000 1.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.12387E-02 ppm1 0.911 ppm2 3.224 CV 1
ASSI { 332}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 22 and name HB1 ))
3.000 1.100 1.100 peak 332 spectrum 1 weight 0.10000E+01 volume 0.11711E-02 ppm1 0.909 ppm2 3.013 CV 1
ASSI { 333}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 21 and name HA ))
2.400 0.700 0.700 peak 333 spectrum 1 weight 0.10000E+01 volume 0.60006E-02 ppm1 0.910 ppm2 3.735 CV 1
ASSI { 334}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 19 and name HB2 ))
2.600 0.800 0.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.31657E-02 ppm1 2.958 ppm2 2.248 CV 1
OR { 334}
(( segid " " and resid 4 and name HB1 ))
(( segid " " and resid 19 and name HB2 ))
ASSI { 335}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 23 and name HG2%)
2.600 2.600 3.400 peak 335 spectrum 1 weight 0.10000E+01 volume 0.43113E-02 ppm1 4.060 ppm2 1.231 CV 1
ASSI { 338}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG11))
2.700 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.44452E-02 ppm1 3.737 ppm2 1.172 CV 1
ASSI { 339}
(( segid " " and resid 21 and name HB ))
( segid " " and resid 21 and name HG2%)
2.200 0.600 0.600 peak 339 spectrum 1 weight 0.10000E+01 volume 0.81459E-02 ppm1 1.923 ppm2 0.902 CV 1
ASSI { 340}
(( segid " " and resid 21 and name HB ))
( segid " " and resid 21 and name HD1%)
2.400 0.700 0.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.55979E-02 ppm1 1.935 ppm2 0.828 CV 1
ASSI { 341}
(( segid " " and resid 21 and name HG12))
(( segid " " and resid 21 and name HG11))
1.800 0.400 0.400 peak 341 spectrum 1 weight 0.10000E+01 volume 0.87991E-02 ppm1 1.730 ppm2 1.173 CV 1
ASSI { 346}
(( segid " " and resid 4 and name HB1 ))
( segid " " and resid 19 and name HD2%)
2.400 0.700 0.700 peak 346 spectrum 1 weight 0.10000E+01 volume 0.37561E-02 ppm1 2.955 ppm2 0.966 CV 1
OR { 346}
(( segid " " and resid 4 and name HB2 ))
( segid " " and resid 19 and name HD2%)
ASSI { 347}
(( segid " " and resid 4 and name HB1 ))
( segid " " and resid 19 and name HD1%)
3.800 1.800 1.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.84522E-03 ppm1 2.955 ppm2 0.904 CV 1
OR { 347}
(( segid " " and resid 4 and name HB2 ))
( segid " " and resid 19 and name HD1%)
ASSI { 348}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 19 and name HB1 ))
3.100 1.200 1.200 peak 348 spectrum 1 weight 0.10000E+01 volume 0.36923E-02 ppm1 0.912 ppm2 1.436 CV 1
ASSI { 349}
( segid " " and resid 19 and name HD2%)
(( segid " " and resid 19 and name HB1 ))
2.900 1.000 1.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.15104E-02 ppm1 0.971 ppm2 1.440 CV 1
ASSI { 351}
(( segid " " and resid 23 and name HB ))
( segid " " and resid 23 and name HG2%)
2.300 0.700 0.700 peak 351 spectrum 1 weight 0.10000E+01 volume 0.71862E-02 ppm1 2.235 ppm2 1.231 CV 1
ASSI { 352}
(( segid " " and resid 23 and name HB ))
( segid " " and resid 23 and name HG1%)
2.300 0.700 0.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.68839E-02 ppm1 2.236 ppm2 1.104 CV 1
ASSI { 353}
(( segid " " and resid 19 and name HB1 ))
(( segid " " and resid 19 and name HB2 ))
1.800 0.400 0.400 peak 353 spectrum 1 weight 0.10000E+01 volume 0.74574E-02 ppm1 1.435 ppm2 2.242 CV 1
ASSI { 355}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 19 and name HB2 ))
2.500 0.800 0.800 peak 355 spectrum 1 weight 0.10000E+01 volume 0.28266E-02 ppm1 0.907 ppm2 2.234 CV 1
ASSI { 356}
( segid " " and resid 19 and name HD2%)
(( segid " " and resid 19 and name HB2 ))
2.500 0.800 0.800 peak 356 spectrum 1 weight 0.10000E+01 volume 0.40222E-02 ppm1 0.971 ppm2 2.243 CV 1
ASSI { 359}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 5 and name HA ))
3.700 1.700 1.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.37627E-03 ppm1 0.909 ppm2 4.938 CV 1
ASSI { 360}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 19 and name HA ))
2.100 0.600 0.600 peak 360 spectrum 1 weight 0.10000E+01 volume 0.86315E-02 ppm1 0.911 ppm2 4.161 CV 1
ASSI { 361}
( segid " " and resid 19 and name HD2%)
(( segid " " and resid 19 and name HA ))
3.500 1.600 1.600 peak 361 spectrum 1 weight 0.10000E+01 volume 0.25153E-02 ppm1 0.969 ppm2 4.163 CV 1
ASSI { 362}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 6 and name HA ))
2.300 0.700 0.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.45192E-02 ppm1 0.912 ppm2 4.558 CV 1
ASSI { 363}
( segid " " and resid 19 and name HD2%)
(( segid " " and resid 6 and name HA ))
3.400 1.500 1.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.87164E-03 ppm1 0.969 ppm2 4.555 CV 1
ASSI { 365}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 18 and name HA ))
4.200 2.200 1.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.86390E-03 ppm1 0.913 ppm2 3.924 CV 1
ASSI { 366}
( segid " " and resid 19 and name HD2%)
(( segid " " and resid 16 and name HA ))
3.400 1.400 1.400 peak 366 spectrum 1 weight 0.10000E+01 volume 0.10843E-02 ppm1 0.971 ppm2 3.910 CV 1
ASSI { 367}
( segid " " and resid 19 and name HD2%)
(( segid " " and resid 4 and name HA ))
3.700 1.700 1.700 peak 367 spectrum 1 weight 0.10000E+01 volume 0.23120E-02 ppm1 0.972 ppm2 4.635 CV 1
ASSI { 368}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
3.000 1.100 1.100 peak 368 spectrum 1 weight 0.10000E+01 volume 0.19308E-02 ppm1 8.364 ppm2 4.169 CV 1
ASSI { 369}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 23 and name HA ))
3.700 1.800 1.800 peak 369 spectrum 1 weight 0.10000E+01 volume 0.55757E-03 ppm1 8.208 ppm2 3.794 CV 1
ASSI { 370}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 5 and name HA ))
4.100 2.100 1.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.23463E-03 ppm1 8.164 ppm2 4.942 CV 1
ASSI { 371}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
3.300 1.300 1.300 peak 371 spectrum 1 weight 0.10000E+01 volume 0.10410E-02 ppm1 8.157 ppm2 4.261 CV 1
ASSI { 373}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 21 and name HA ))
3.300 1.400 1.400 peak 373 spectrum 1 weight 0.10000E+01 volume 0.98605E-03 ppm1 7.734 ppm2 3.736 CV 1
ASSI { 374}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 20 and name HA ))
3.500 1.500 1.500 peak 374 spectrum 1 weight 0.10000E+01 volume 0.84783E-03 ppm1 7.741 ppm2 4.058 CV 1
ASSI { 375}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.400 0.700 0.700 peak 375 spectrum 1 weight 0.10000E+01 volume 0.53044E-02 ppm1 7.691 ppm2 4.158 CV 1
ASSI { 376}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA ))
3.100 1.200 1.200 peak 376 spectrum 1 weight 0.10000E+01 volume 0.15800E-02 ppm1 7.690 ppm2 4.375 CV 1
ASSI { 377}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
2.200 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.93541E-02 ppm1 7.653 ppm2 4.161 CV 1
ASSI { 378}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 6 and name HA ))
5.500 3.700 0.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.92529E-04 ppm1 6.994 ppm2 4.557 CV 1
ASSI { 379}
( segid " " and resid 26 and name HD% )
(( segid " " and resid 23 and name HA ))
3.400 1.400 1.400 peak 379 spectrum 1 weight 0.10000E+01 volume 0.38748E-03 ppm1 7.030 ppm2 3.786 CV 1
ASSI { 380}
( segid " " and resid 11 and name HE% )
(( segid " " and resid 14 and name HD2 ))
3.900 1.900 1.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.86760E-03 ppm1 6.446 ppm2 3.720 CV 1
ASSI { 381}
( segid " " and resid 11 and name HE% )
(( segid " " and resid 14 and name HD1 ))
4.300 2.300 1.700 peak 381 spectrum 1 weight 0.10000E+01 volume 0.50650E-03 ppm1 6.443 ppm2 3.615 CV 1
ASSI { 382}
( segid " " and resid 11 and name HE% )
(( segid " " and resid 18 and name HB ))
5.400 3.600 0.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.13747E-03 ppm1 6.440 ppm2 3.936 CV 1
ASSI { 383}
( segid " " and resid 11 and name HD% )
(( segid " " and resid 6 and name HA ))
5.200 3.400 0.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.13669E-03 ppm1 6.297 ppm2 4.555 CV 1
ASSI { 384}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 19 and name HD1%)
4.100 2.100 1.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.35506E-03 ppm1 8.697 ppm2 0.904 CV 1
ASSI { 385}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 19 and name HD2%)
3.300 1.400 1.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.39799E-03 ppm1 8.361 ppm2 0.966 CV 1
ASSI { 386}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 19 and name HD2%)
4.000 2.000 2.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.40424E-03 ppm1 7.823 ppm2 0.966 CV 1
ASSI { 387}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HD2%)
4.800 2.900 1.200 peak 387 spectrum 1 weight 0.10000E+01 volume 0.45805E-03 ppm1 7.696 ppm2 0.971 CV 1
ASSI { 388}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HG11))
5.100 3.300 0.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.21877E-03 ppm1 7.683 ppm2 1.169 CV 1
ASSI { 389}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 23 and name HG2%)
5.200 3.300 0.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.16992E-03 ppm1 7.688 ppm2 1.230 CV 1
ASSI { 390}
( segid " " and resid 4 and name HD% )
(( segid " " and resid 3 and name HB2 ))
3.500 3.500 2.500 peak 390 spectrum 1 weight 0.10000E+01 volume 0.11047E-02 ppm1 6.983 ppm2 2.129 CV 1
ASSI { 391}
( segid " " and resid 4 and name HD% )
( segid " " and resid 19 and name HD2%)
3.000 1.100 1.100 peak 391 spectrum 1 weight 0.10000E+01 volume 0.24683E-02 ppm1 6.981 ppm2 0.966 CV 1
ASSI { 392}
( segid " " and resid 11 and name HE% )
( segid " " and resid 19 and name HD1%)
2.800 1.000 1.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.25906E-02 ppm1 6.443 ppm2 0.902 CV 1
ASSI { 393}
( segid " " and resid 11 and name HD% )
( segid " " and resid 19 and name HD1%)
2.500 0.800 0.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.31439E-02 ppm1 6.304 ppm2 0.905 CV 1
ASSI { 394}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HA ))
2.600 0.800 0.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.62162E-02 ppm1 2.260 ppm2 4.437 CV 1
ASSI { 395}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HA ))
3.100 1.200 1.200 peak 395 spectrum 1 weight 0.10000E+01 volume 0.11428E-02 ppm1 2.089 ppm2 4.438 CV 1
ASSI { 396}
(( segid " " and resid 14 and name HG1 ))
(( segid " " and resid 14 and name HA ))
3.300 1.400 1.400 peak 396 spectrum 1 weight 0.10000E+01 volume 0.28926E-02 ppm1 1.948 ppm2 4.438 CV 1
OR { 396}
(( segid " " and resid 14 and name HG2 ))
(( segid " " and resid 14 and name HA ))
ASSI { 397}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HD1 ))
3.300 1.300 1.300 peak 397 spectrum 1 weight 0.10000E+01 volume 0.35117E-02 ppm1 2.246 ppm2 3.618 CV 1
ASSI { 400}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HD2 ))
3.300 1.300 1.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.30227E-02 ppm1 2.240 ppm2 3.734 CV 1
ASSI { 401}
( segid " " and resid 23 and name HG2%)
(( segid " " and resid 7 and name HD2 ))
2.600 0.800 0.800 peak 401 spectrum 1 weight 0.10000E+01 volume 0.24387E-02 ppm1 1.236 ppm2 4.207 CV 1
ASSI { 403}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 7 and name HD1 ))
4.900 3.000 1.100 peak 403 spectrum 1 weight 0.10000E+01 volume 0.40667E-03 ppm1 2.664 ppm2 4.045 CV 1
ASSI { 405}
( segid " " and resid 23 and name HG1%)
(( segid " " and resid 7 and name HD1 ))
2.200 2.200 3.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.50130E-02 ppm1 1.106 ppm2 4.044 CV 1
ASSI { 406}
( segid " " and resid 19 and name HD2%)
(( segid " " and resid 7 and name HD1 ))
3.300 1.400 1.400 peak 406 spectrum 1 weight 0.10000E+01 volume 0.57647E-03 ppm1 0.971 ppm2 4.044 CV 1
ASSI { 407}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 7 and name HD1 ))
3.500 1.500 1.500 peak 407 spectrum 1 weight 0.10000E+01 volume 0.14730E-02 ppm1 0.910 ppm2 4.047 CV 1
ASSI { 410}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 6 and name HB1 ))
3.500 1.500 1.500 peak 410 spectrum 1 weight 0.10000E+01 volume 0.18491E-02 ppm1 4.209 ppm2 2.664 CV 1
ASSI { 412}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB ))
3.500 1.600 1.600 peak 412 spectrum 1 weight 0.10000E+01 volume 0.63948E-03 ppm1 3.794 ppm2 2.243 CV 1
ASSI { 413}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HA ))
2.400 0.700 0.700 peak 413 spectrum 1 weight 0.10000E+01 volume 0.65752E-02 ppm1 1.787 ppm2 4.401 CV 1
OR { 413}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HA ))
ASSI { 416}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 7 and name HD2 ))
2.600 0.800 0.800 peak 416 spectrum 1 weight 0.10000E+01 volume 0.30432E-02 ppm1 1.347 ppm2 4.219 CV 1
OR { 416}
(( segid " " and resid 8 and name HG1 ))
(( segid " " and resid 7 and name HD2 ))
ASSI { 417}
(( segid " " and resid 8 and name HG1 ))
(( segid " " and resid 7 and name HD1 ))
2.600 2.600 3.400 peak 417 spectrum 1 weight 0.10000E+01 volume 0.16783E-02 ppm1 1.330 ppm2 4.043 CV 1
OR { 417}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 7 and name HD1 ))
ASSI { 418}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 23 and name HG1%)
3.500 1.600 1.600 peak 418 spectrum 1 weight 0.10000E+01 volume 0.86361E-03 ppm1 4.312 ppm2 1.099 CV 1
ASSI { 420}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 11 and name HB1 ))
2.300 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.47386E-02 ppm1 2.658 ppm2 1.870 CV 1
ASSI { 422}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 8 and name HB1 ))
2.200 0.600 0.600 peak 422 spectrum 1 weight 0.10000E+01 volume 0.86794E-02 ppm1 1.330 ppm2 1.764 CV 1
OR { 422}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 8 and name HB2 ))
OR { 422}
(( segid " " and resid 8 and name HG1 ))
(( segid " " and resid 8 and name HB1 ))
OR { 422}
(( segid " " and resid 8 and name HG1 ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 423}
( segid " " and resid 19 and name HD2%)
(( segid " " and resid 19 and name HG ))
2.300 0.600 0.600 peak 423 spectrum 1 weight 0.10000E+01 volume 0.64827E-02 ppm1 0.961 ppm2 1.723 CV 1
ASSI { 424}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA ))
3.700 1.700 1.700 peak 424 spectrum 1 weight 0.10000E+01 volume 0.47610E-03 ppm1 9.203 ppm2 4.394 CV 1
ASSI
( segid " " and resid 6 and name SG )
( segid " " and resid 9 and name SG ) 3.7 0.02 0.02
ASSI
( segid " " and resid 6 and name SG )
( segid " " and resid 22 and name NE2) 3.5 0.02 0.02
ASSI
( segid " " and resid 9 and name SG )
( segid " " and resid 22 and name NE2) 3.5 0.02 0.02
ASSI
( segid " " and resid 9 and name SG )
( segid " " and resid 6 and name ZN ) 2.3 0.02 0.02
ASSI
( segid " " and resid 22 and name NE2)
( segid " " and resid 6 and name ZN ) 2.0 0.02 0.02
! ambiguous NOEs
ASSI { 6}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
2.900 1.100 1.100 peak 6 spectrum 1 weight 0.10000E+01 volume 0.32248E-02 ppm1 8.694 ppm2 3.780 CV 1
OR { 6}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB2 ))
ASSI { 36}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
2.600 0.800 0.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.40145E-02 ppm1 8.031 ppm2 5.020 CV 1
OR { 36}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA ))
ASSI { 51}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB ))
2.400 0.700 0.700 peak 51 spectrum 1 weight 0.10000E+01 volume 0.62896E-02 ppm1 7.695 ppm2 3.932 CV 1
OR { 51}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
ASSI { 53}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB ))
2.900 1.000 1.000 peak 53 spectrum 1 weight 0.10000E+01 volume 0.31057E-02 ppm1 7.688 ppm2 1.720 CV 1
OR { 53}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HG ))
ASSI { 155}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 23 and name HA ))
3.100 1.200 1.200 peak 155 spectrum 1 weight 0.10000E+01 volume 0.28225E-02 ppm1 6.996 ppm2 3.782 CV 1
OR { 155}
(( segid " " and resid 22 and name HD2 ))
(( segid " " and resid 22 and name HB2 ))
ASSI { 170}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HG ))
3.700 1.700 1.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.87159E-03 ppm1 8.363 ppm2 1.729 CV 1
OR { 170}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HG12))
ASSI { 175}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 19 and name HB2 ))
3.300 1.300 1.300 peak 175 spectrum 1 weight 0.10000E+01 volume 0.15707E-02 ppm1 8.157 ppm2 2.252 CV 1
OR { 175}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 19 and name HB2 ))
ASSI { 179}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 19 and name HB1 ))
4.100 2.100 1.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.52691E-03 ppm1 8.091 ppm2 1.439 CV 1
OR { 179}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 13 and name HB% )
ASSI { 191}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 17 and name HB1 ))
4.500 2.500 1.500 peak 191 spectrum 1 weight 0.10000E+01 volume 0.26115E-03 ppm1 7.693 ppm2 2.527 CV 1
OR { 191}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 16 and name HG2 ))
ASSI { 194}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 21 and name HG2%)
3.400 1.500 1.500 peak 194 spectrum 1 weight 0.10000E+01 volume 0.19586E-02 ppm1 7.690 ppm2 0.903 CV 1
OR { 194}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HD1%)
OR { 194}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 19 and name HD1%)
ASSI { 254}
( segid " " and resid 13 and name HB% )
(( segid " " and resid 4 and name HB2 ))
2.300 0.700 0.700 peak 254 spectrum 1 weight 0.10000E+01 volume 0.75597E-02 ppm1 1.449 ppm2 2.952 CV 1
OR { 254}
( segid " " and resid 13 and name HB% )
(( segid " " and resid 4 and name HB1 ))
OR { 254}
(( segid " " and resid 19 and name HB1 ))
(( segid " " and resid 4 and name HB1 ))
ASSI { 270}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 20 and name HA ))
2.500 0.800 0.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.55756E-02 ppm1 2.141 ppm2 4.048 CV 1
OR { 270}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 7 and name HD1 ))
ASSI { 298}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB1 ))
2.400 0.700 0.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.70949E-02 ppm1 4.169 ppm2 1.860 CV 1
OR { 298}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB1 ))
OR { 298}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB1 ))
ASSI { 343}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 19 and name HG ))
2.300 0.700 0.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.61277E-02 ppm1 0.909 ppm2 1.727 CV 1
OR { 343}
( segid " " and resid 21 and name HG2%)
(( segid " " and resid 21 and name HG12))
Contact the webmaster for help, if required. Wednesday, May 29, 2024 9:12:40 AM GMT (wattos1)