NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
14895 |
1x5v   |
6636 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
2.800 1.000 1.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.27831E-02 ppm1 4.294 ppm2 9.507 CV 1
ASSI { 3}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HN ))
2.900 1.000 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.16813E-02 ppm1 3.218 ppm2 9.507 CV 1
ASSI { 4}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HN ))
3.100 1.200 1.200 peak 4 spectrum 1 weight 0.10000E+01 volume 0.60218E-02 ppm1 2.375 ppm2 9.507 CV 1
ASSI { 5}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HA ))
4.000 2.000 2.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.52345E-03 ppm1 3.218 ppm2 4.297 CV 1
ASSI { 6}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HA ))
3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.11315E-02 ppm1 2.376 ppm2 4.297 CV 1
ASSI { 7}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HB2 ))
1.600 0.300 0.600 peak 7 spectrum 1 weight 0.10000E+01 volume 0.36826E-01 ppm1 2.377 ppm2 3.221 CV 1
ASSI { 8}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HN ))
2.200 2.200 3.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.11162E-01 ppm1 3.849 ppm2 9.442 CV 1
ASSI { 9}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HN ))
4.200 2.200 1.800 peak 9 spectrum 1 weight 0.10000E+01 volume 0.47331E-03 ppm1 3.767 ppm2 9.442 CV 1
ASSI { 10}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HN ))
3.600 1.700 1.700 peak 10 spectrum 1 weight 0.10000E+01 volume 0.50966E-03 ppm1 3.386 ppm2 9.442 CV 1
ASSI { 11}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HA ))
2.500 0.800 0.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.57905E-02 ppm1 3.386 ppm2 3.849 CV 1
ASSI { 12}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HA ))
3.000 1.100 1.100 peak 12 spectrum 1 weight 0.10000E+01 volume 0.21259E-02 ppm1 3.766 ppm2 3.849 CV 1
ASSI { 13}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HB2 ))
1.800 0.400 0.400 peak 13 spectrum 1 weight 0.10000E+01 volume 0.18842E-01 ppm1 3.386 ppm2 3.769 CV 1
ASSI { 14}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
2.700 0.900 0.900 peak 14 spectrum 1 weight 0.10000E+01 volume 0.31044E-02 ppm1 4.462 ppm2 9.400 CV 1
ASSI { 15}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HN ))
3.400 1.500 1.500 peak 15 spectrum 1 weight 0.10000E+01 volume 0.15768E-02 ppm1 2.052 ppm2 9.399 CV 1
OR { 15}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HN ))
ASSI { 16}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
3.000 1.200 1.200 peak 16 spectrum 1 weight 0.10000E+01 volume 0.14113E-02 ppm1 1.772 ppm2 9.399 CV 1
ASSI { 17}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
3.300 1.300 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.13947E-02 ppm1 1.705 ppm2 9.399 CV 1
ASSI { 18}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HA ))
6.000 4.500 0.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.055 ppm2 4.462 CV 1
OR { 18}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HA ))
ASSI { 19}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HA ))
6.000 4.500 0.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.770 ppm2 4.462 CV 1
ASSI { 20}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HA ))
6.000 6.000 0.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.65786E-05 ppm1 1.705 ppm2 4.462 CV 1
ASSI { 21}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HG3 ))
2.600 0.900 0.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.46611E-02 ppm1 1.705 ppm2 2.057 CV 1
OR { 21}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HG2 ))
ASSI { 22}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HG2 ))
2.500 0.800 0.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.57587E-02 ppm1 1.772 ppm2 2.057 CV 1
OR { 22}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HG3 ))
ASSI { 24}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
2.700 0.900 0.900 peak 24 spectrum 1 weight 0.10000E+01 volume 0.29541E-02 ppm1 4.222 ppm2 9.270 CV 1
ASSI { 26}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HN ))
5.300 3.400 0.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.15685E-03 ppm1 2.929 ppm2 9.270 CV 1
OR { 26}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 25 and name HN ))
ASSI { 28}
(( segid " " and resid 25 and name HD3 ))
(( segid " " and resid 25 and name HA ))
6.000 6.000 0.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.60246E-05 ppm1 2.929 ppm2 4.222 CV 1
OR { 28}
(( segid " " and resid 25 and name HD2 ))
(( segid " " and resid 25 and name HA ))
ASSI { 29}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HN ))
2.400 0.700 0.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.55454E-02 ppm1 1.420 ppm2 9.271 CV 1
OR { 29}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HN ))
ASSI { 31}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HA ))
3.100 1.200 1.200 peak 31 spectrum 1 weight 0.10000E+01 volume 0.13905E-02 ppm1 1.419 ppm2 4.223 CV 1
OR { 31}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HA ))
ASSI { 32}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HD2 ))
2.500 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.63868E-02 ppm1 1.418 ppm2 2.933 CV 1
OR { 32}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HD2 ))
OR { 32}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HD3 ))
OR { 32}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 25 and name HD3 ))
ASSI { 33}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HN ))
5.000 3.100 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.15685E-03 ppm1 1.208 ppm2 9.271 CV 1
ASSI { 35}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HA ))
6.000 6.000 0.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.51936E-05 ppm1 1.207 ppm2 4.223 CV 1
ASSI { 36}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HD2 ))
2.600 0.800 0.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.47754E-02 ppm1 1.208 ppm2 2.933 CV 1
OR { 36}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HD3 ))
ASSI { 37}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HB3 ))
2.900 1.000 1.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.22277E-02 ppm1 1.207 ppm2 1.420 CV 1
OR { 37}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HB2 ))
ASSI { 38}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HN ))
4.800 2.900 1.200 peak 38 spectrum 1 weight 0.10000E+01 volume 0.22831E-03 ppm1 1.036 ppm2 9.271 CV 1
ASSI { 40}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HA ))
6.000 6.000 0.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.52629E-05 ppm1 1.035 ppm2 4.223 CV 1
ASSI { 41}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HD3 ))
2.500 0.800 0.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.48079E-02 ppm1 1.037 ppm2 2.933 CV 1
OR { 41}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HD2 ))
ASSI { 42}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HB2 ))
2.600 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.43169E-02 ppm1 1.036 ppm2 1.419 CV 1
OR { 42}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HB3 ))
ASSI { 43}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 25 and name HG2 ))
1.700 0.400 0.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.21038E-01 ppm1 1.036 ppm2 1.208 CV 1
ASSI { 45}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HN ))
2.700 0.900 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.56188E-02 ppm1 2.602 ppm2 9.125 CV 1
ASSI { 47}
( segid " " and resid 30 and name HD2%)
(( segid " " and resid 30 and name HN ))
3.400 1.400 1.400 peak 47 spectrum 1 weight 0.10000E+01 volume 0.27700E-02 ppm1 1.426 ppm2 8.934 CV 1
ASSI { 48}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HN ))
3.000 1.100 1.100 peak 48 spectrum 1 weight 0.10000E+01 volume 0.18829E-02 ppm1 1.626 ppm2 8.934 CV 1
OR { 48}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 30 and name HN ))
ASSI { 49}
(( segid " " and resid 30 and name HG ))
(( segid " " and resid 30 and name HN ))
3.000 1.200 1.200 peak 49 spectrum 1 weight 0.10000E+01 volume 0.18441E-02 ppm1 0.872 ppm2 8.934 CV 1
ASSI { 52}
(( segid " " and resid 30 and name HG ))
( segid " " and resid 30 and name HD2%)
2.100 0.600 0.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.13372E-01 ppm1 0.872 ppm2 1.426 CV 1
ASSI { 53}
(( segid " " and resid 3 and name HA1 ))
(( segid " " and resid 3 and name HN ))
2.900 1.100 1.100 peak 53 spectrum 1 weight 0.10000E+01 volume 0.33482E-02 ppm1 4.178 ppm2 8.891 CV 1
ASSI { 54}
(( segid " " and resid 3 and name HA2 ))
(( segid " " and resid 3 and name HN ))
2.100 0.600 0.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.90298E-02 ppm1 3.767 ppm2 8.891 CV 1
ASSI { 55}
(( segid " " and resid 3 and name HA2 ))
(( segid " " and resid 3 and name HA1 ))
2.100 0.500 0.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.54249E-02 ppm1 3.770 ppm2 4.179 CV 1
ASSI { 56}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
2.800 1.000 1.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.33260E-02 ppm1 4.438 ppm2 8.722 CV 1
ASSI { 57}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HN ))
6.000 6.000 0.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.65786E-05 ppm1 4.226 ppm2 8.722 CV 1
OR { 57}
(( segid " " and resid 34 and name HB1 ))
(( segid " " and resid 34 and name HN ))
ASSI { 58}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HN ))
6.000 6.000 0.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.13849E-04 ppm1 2.459 ppm2 8.722 CV 1
ASSI { 60}
(( segid " " and resid 34 and name HB1 ))
(( segid " " and resid 34 and name HA ))
6.000 4.500 0.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.226 ppm2 4.440 CV 1
OR { 60}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HA ))
ASSI { 61}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HA ))
6.000 4.500 0.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.459 ppm2 4.440 CV 1
ASSI { 63}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HB1 ))
6.000 4.800 0.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.25345E-04 ppm1 2.459 ppm2 4.228 CV 1
OR { 63}
(( segid " " and resid 34 and name HG2 ))
(( segid " " and resid 34 and name HB2 ))
ASSI { 66}
(( segid " " and resid 21 and name HA1 ))
(( segid " " and resid 21 and name HN ))
2.500 0.800 0.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.41321E-02 ppm1 4.158 ppm2 8.694 CV 1
ASSI { 67}
(( segid " " and resid 21 and name HA2 ))
(( segid " " and resid 21 and name HN ))
2.500 0.800 0.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.86628E-02 ppm1 3.497 ppm2 8.694 CV 1
ASSI { 68}
(( segid " " and resid 21 and name HA2 ))
(( segid " " and resid 21 and name HA1 ))
2.200 0.600 0.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.56022E-02 ppm1 3.497 ppm2 4.161 CV 1
ASSI { 69}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
2.200 0.600 0.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.11744E-01 ppm1 4.022 ppm2 8.637 CV 1
ASSI { 70}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HN ))
3.800 1.800 1.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.45558E-03 ppm1 3.100 ppm2 8.637 CV 1
ASSI { 71}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HN ))
3.900 1.900 1.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.42622E-03 ppm1 2.970 ppm2 8.637 CV 1
ASSI { 72}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HA ))
3.000 1.100 1.100 peak 72 spectrum 1 weight 0.10000E+01 volume 0.20497E-02 ppm1 2.970 ppm2 4.016 CV 1
ASSI { 73}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HA ))
3.400 1.500 1.500 peak 73 spectrum 1 weight 0.10000E+01 volume 0.78665E-03 ppm1 3.100 ppm2 4.016 CV 1
ASSI { 74}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HB2 ))
1.600 0.300 0.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.30428E-01 ppm1 2.970 ppm2 3.100 CV 1
ASSI { 75}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
2.100 2.100 3.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.17007E-01 ppm1 3.973 ppm2 8.604 CV 1
ASSI { 76}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HN ))
2.100 0.600 0.600 peak 76 spectrum 1 weight 0.10000E+01 volume 0.14598E-01 ppm1 2.655 ppm2 8.604 CV 1
OR { 76}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HN ))
ASSI { 77}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HA ))
2.500 0.800 0.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.58785E-02 ppm1 2.655 ppm2 3.975 CV 1
OR { 77}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HA ))
ASSI { 78}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HN ))
2.700 0.900 0.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.32546E-02 ppm1 4.556 ppm2 8.600 CV 1
ASSI { 79}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HN ))
2.300 0.700 0.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.84343E-02 ppm1 2.831 ppm2 8.600 CV 1
OR { 79}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HN ))
ASSI { 81}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB3 ))
3.100 1.200 1.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.11578E-02 ppm1 4.558 ppm2 2.832 CV 1
OR { 81}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB2 ))
ASSI { 82}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
2.800 1.000 1.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.28745E-02 ppm1 4.988 ppm2 8.594 CV 1
ASSI { 83}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
2.400 0.700 0.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.91958E-02 ppm1 2.960 ppm2 8.596 CV 1
ASSI { 85}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HN ))
2.600 0.800 0.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.40538E-02 ppm1 2.736 ppm2 8.596 CV 1
ASSI { 87}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HB2 ))
1.800 0.400 0.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.18746E-01 ppm1 2.734 ppm2 2.963 CV 1
ASSI { 88}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
2.800 1.000 1.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.21612E-02 ppm1 4.877 ppm2 8.533 CV 1
ASSI { 89}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HN ))
2.200 0.600 0.600 peak 89 spectrum 1 weight 0.10000E+01 volume 0.72569E-02 ppm1 2.941 ppm2 8.533 CV 1
ASSI { 90}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HA ))
6.000 4.500 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.942 ppm2 4.880 CV 1
ASSI { 92}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HN ))
3.300 1.400 1.400 peak 92 spectrum 1 weight 0.10000E+01 volume 0.17215E-02 ppm1 2.336 ppm2 8.533 CV 1
ASSI { 93}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HA ))
6.000 4.500 0.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.336 ppm2 4.880 CV 1
ASSI { 94}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 29 and name HB2 ))
1.600 0.300 0.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.36438E-01 ppm1 2.336 ppm2 2.944 CV 1
ASSI { 98}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
2.700 0.900 0.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.28891E-02 ppm1 5.050 ppm2 8.443 CV 1
ASSI { 102}
(( segid " " and resid 27 and name HA2 ))
(( segid " " and resid 8 and name HA ))
6.000 4.500 0.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.817 ppm2 5.053 CV 1
ASSI { 104}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
2.500 0.800 0.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.47096E-02 ppm1 2.651 ppm2 8.443 CV 1
ASSI { 105}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HA ))
6.000 5.400 0.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.21883E-04 ppm1 2.651 ppm2 5.053 CV 1
ASSI { 107}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HN ))
2.800 1.000 1.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.56881E-02 ppm1 2.525 ppm2 8.443 CV 1
ASSI { 108}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HA ))
6.000 4.500 0.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.525 ppm2 5.053 CV 1
ASSI { 110}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HB2 ))
1.700 0.300 0.500 peak 110 spectrum 1 weight 0.10000E+01 volume 0.29472E-01 ppm1 2.525 ppm2 2.651 CV 1
ASSI { 117}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HN ))
2.700 0.900 0.900 peak 117 spectrum 1 weight 0.10000E+01 volume 0.33530E-02 ppm1 4.500 ppm2 8.347 CV 1
ASSI { 118}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 2 and name HN ))
3.100 1.200 1.200 peak 118 spectrum 1 weight 0.10000E+01 volume 0.12666E-02 ppm1 2.659 ppm2 8.345 CV 1
ASSI { 119}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 2 and name HA ))
4.400 2.400 1.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.21765E-03 ppm1 2.657 ppm2 4.500 CV 1
ASSI { 121}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HN ))
3.700 1.700 1.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.96806E-03 ppm1 3.075 ppm2 8.247 CV 1
ASSI { 122}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HN ))
3.900 1.900 1.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.38786E-03 ppm1 2.589 ppm2 8.247 CV 1
ASSI { 124}
(( segid " " and resid 27 and name HA2 ))
(( segid " " and resid 27 and name HN ))
2.400 0.700 0.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.11842E-01 ppm1 3.805 ppm2 8.202 CV 1
ASSI { 125}
(( segid " " and resid 27 and name HA1 ))
(( segid " " and resid 27 and name HN ))
2.200 2.200 3.800 peak 125 spectrum 1 weight 0.10000E+01 volume 0.97430E-02 ppm1 4.016 ppm2 8.202 CV 1
ASSI { 126}
(( segid " " and resid 27 and name HA2 ))
(( segid " " and resid 27 and name HA1 ))
2.100 0.500 0.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.84272E-02 ppm1 3.808 ppm2 4.021 CV 1
ASSI { 134}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
2.700 0.900 0.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.30338E-02 ppm1 5.028 ppm2 8.147 CV 1
ASSI { 135}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
2.300 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.54637E-02 ppm1 2.035 ppm2 8.147 CV 1
ASSI { 136}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HA ))
6.000 5.300 0.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.26799E-04 ppm1 2.035 ppm2 5.031 CV 1
ASSI { 137}
(( segid " " and resid 22 and name HG ))
(( segid " " and resid 22 and name HN ))
2.900 1.100 1.100 peak 137 spectrum 1 weight 0.10000E+01 volume 0.25511E-02 ppm1 1.155 ppm2 8.147 CV 1
ASSI { 138}
(( segid " " and resid 22 and name HG ))
(( segid " " and resid 22 and name HA ))
6.000 6.000 0.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.26314E-05 ppm1 1.155 ppm2 5.031 CV 1
ASSI { 139}
(( segid " " and resid 22 and name HG ))
(( segid " " and resid 22 and name HB2 ))
2.500 0.800 0.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.48404E-02 ppm1 1.155 ppm2 2.038 CV 1
ASSI { 140}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HN ))
4.100 2.100 1.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.10727E-02 ppm1 0.904 ppm2 8.147 CV 1
ASSI { 141}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HA ))
6.000 4.500 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.904 ppm2 5.031 CV 1
ASSI { 142}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HB2 ))
1.500 0.300 0.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.32187E-01 ppm1 0.906 ppm2 2.038 CV 1
ASSI { 143}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HG ))
2.500 0.800 0.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.50724E-02 ppm1 0.904 ppm2 1.158 CV 1
ASSI { 144}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 22 and name HB3 ))
3.400 1.500 1.500 peak 144 spectrum 1 weight 0.10000E+01 volume 0.13490E-02 ppm1 0.602 ppm2 0.905 CV 1
ASSI { 145}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 22 and name HG ))
2.400 0.700 0.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.69941E-02 ppm1 0.602 ppm2 1.158 CV 1
ASSI { 146}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 22 and name HB2 ))
2.400 0.700 0.700 peak 146 spectrum 1 weight 0.10000E+01 volume 0.59242E-02 ppm1 0.602 ppm2 2.038 CV 1
ASSI { 147}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 22 and name HA ))
6.000 6.000 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.51936E-05 ppm1 0.602 ppm2 5.031 CV 1
ASSI { 148}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 22 and name HN ))
4.300 2.300 1.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.31418E-03 ppm1 0.602 ppm2 8.146 CV 1
ASSI { 155}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 22 and name HN ))
4.900 3.000 1.100 peak 155 spectrum 1 weight 0.10000E+01 volume 0.20678E-03 ppm1 0.468 ppm2 8.147 CV 1
ASSI { 156}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 22 and name HA ))
6.000 6.000 0.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.12673E-04 ppm1 0.468 ppm2 5.031 CV 1
ASSI { 157}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 22 and name HB2 ))
3.300 1.400 1.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.17333E-02 ppm1 0.468 ppm2 2.038 CV 1
ASSI { 158}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 22 and name HG ))
2.400 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.72228E-02 ppm1 0.468 ppm2 1.158 CV 1
ASSI { 159}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 22 and name HB3 ))
2.800 1.000 1.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.26412E-02 ppm1 0.468 ppm2 0.905 CV 1
ASSI { 160}
( segid " " and resid 22 and name HD2%)
( segid " " and resid 22 and name HD1%)
6.000 4.500 0.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.468 ppm2 0.606 CV 1
ASSI { 161}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
6.000 5.000 0.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.23822E-04 ppm1 3.946 ppm2 8.107 CV 1
ASSI { 162}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 33 and name HN ))
3.000 1.200 1.200 peak 162 spectrum 1 weight 0.10000E+01 volume 0.21557E-02 ppm1 1.879 ppm2 8.107 CV 1
ASSI { 163}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 33 and name HA ))
4.000 2.000 2.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.32485E-03 ppm1 1.879 ppm2 3.949 CV 1
ASSI { 164}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 33 and name HN ))
3.200 1.300 1.300 peak 164 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 0.792 ppm2 8.107 CV 1
OR { 164}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 33 and name HN ))
ASSI { 165}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 33 and name HA ))
3.500 1.600 1.600 peak 165 spectrum 1 weight 0.10000E+01 volume 0.97296E-03 ppm1 0.792 ppm2 3.949 CV 1
OR { 165}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 33 and name HA ))
ASSI { 166}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 33 and name HB ))
2.300 0.700 0.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.95912E-02 ppm1 0.792 ppm2 1.882 CV 1
OR { 166}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 33 and name HB ))
ASSI { 167}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
2.400 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.50918E-02 ppm1 3.701 ppm2 8.067 CV 1
ASSI { 168}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 10 and name HN ))
2.800 1.000 1.000 peak 168 spectrum 1 weight 0.10000E+01 volume 0.41743E-02 ppm1 1.816 ppm2 8.067 CV 1
ASSI { 172}
( segid " " and resid 10 and name HG2%)
(( segid " " and resid 10 and name HN ))
2.400 0.700 0.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.80468E-02 ppm1 0.733 ppm2 8.067 CV 1
ASSI { 176}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
2.500 0.800 0.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.71675E-02 ppm1 3.950 ppm2 8.075 CV 1
ASSI { 179}
( segid " " and resid 14 and name HB% )
(( segid " " and resid 14 and name HN ))
2.700 0.900 0.900 peak 179 spectrum 1 weight 0.10000E+01 volume 0.38128E-02 ppm1 1.300 ppm2 8.075 CV 1
ASSI { 180}
( segid " " and resid 14 and name HB% )
(( segid " " and resid 14 and name HA ))
2.800 1.000 1.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.35289E-02 ppm1 1.300 ppm2 3.953 CV 1
ASSI { 181}
( segid " " and resid 10 and name HG1%)
(( segid " " and resid 10 and name HN ))
2.800 0.900 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.40275E-02 ppm1 0.844 ppm2 8.067 CV 1
ASSI { 184}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
2.400 0.700 0.700 peak 184 spectrum 1 weight 0.10000E+01 volume 0.65184E-02 ppm1 4.012 ppm2 8.042 CV 1
ASSI { 185}
(( segid " " and resid 32 and name HG2 ))
(( segid " " and resid 32 and name HN ))
3.400 1.500 1.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.15304E-02 ppm1 2.041 ppm2 8.042 CV 1
ASSI { 186}
(( segid " " and resid 32 and name HG2 ))
(( segid " " and resid 32 and name HA ))
4.700 2.800 1.300 peak 186 spectrum 1 weight 0.10000E+01 volume 0.16986E-03 ppm1 2.041 ppm2 4.012 CV 1
ASSI { 187}
(( segid " " and resid 32 and name HG3 ))
(( segid " " and resid 32 and name HA ))
4.500 2.600 1.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.18967E-03 ppm1 1.948 ppm2 4.012 CV 1
ASSI { 188}
(( segid " " and resid 32 and name HG3 ))
(( segid " " and resid 32 and name HN ))
3.900 1.900 1.900 peak 188 spectrum 1 weight 0.10000E+01 volume 0.74166E-03 ppm1 1.948 ppm2 8.042 CV 1
ASSI { 190}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HN ))
2.800 1.000 1.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.24812E-02 ppm1 1.631 ppm2 8.042 CV 1
ASSI { 194}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
2.400 0.700 0.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.60128E-02 ppm1 3.873 ppm2 7.967 CV 1
ASSI { 195}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
2.800 1.000 1.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.41466E-02 ppm1 1.558 ppm2 7.967 CV 1
ASSI { 196}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HA ))
3.000 1.200 1.200 peak 196 spectrum 1 weight 0.10000E+01 volume 0.16835E-02 ppm1 1.558 ppm2 3.876 CV 1
ASSI { 199}
( segid " " and resid 1 and name HB% )
(( segid " " and resid 1 and name HA ))
3.100 1.200 1.200 peak 199 spectrum 1 weight 0.10000E+01 volume 0.17063E-02 ppm1 1.418 ppm2 4.006 CV 1
ASSI { 203}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
3.000 1.200 1.200 peak 203 spectrum 1 weight 0.10000E+01 volume 0.13898E-02 ppm1 2.896 ppm2 7.923 CV 1
ASSI { 204}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HN ))
2.400 0.700 0.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.71121E-02 ppm1 2.582 ppm2 7.923 CV 1
OR { 204}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HN ))
ASSI { 209}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
2.700 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.27339E-02 ppm1 5.226 ppm2 7.667 CV 1
ASSI { 210}
(( segid " " and resid 28 and name HE2 ))
(( segid " " and resid 28 and name HN ))
6.000 6.000 0.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.45704E-05 ppm1 2.878 ppm2 7.667 CV 1
OR { 210}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HN ))
ASSI { 211}
(( segid " " and resid 28 and name HE2 ))
(( segid " " and resid 28 and name HA ))
6.000 4.500 0.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.879 ppm2 5.229 CV 1
OR { 211}
(( segid " " and resid 28 and name HE3 ))
(( segid " " and resid 28 and name HA ))
ASSI { 212}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HN ))
3.100 1.200 1.200 peak 212 spectrum 1 weight 0.10000E+01 volume 0.22617E-02 ppm1 1.687 ppm2 7.667 CV 1
OR { 212}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HN ))
ASSI { 213}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HA ))
6.000 4.600 0.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.18697E-04 ppm1 1.687 ppm2 5.229 CV 1
OR { 213}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HA ))
ASSI { 214}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HE2 ))
3.700 1.700 1.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.12118E-02 ppm1 1.687 ppm2 2.881 CV 1
OR { 214}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HE3 ))
OR { 214}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HE2 ))
OR { 214}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HE3 ))
ASSI { 215}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HN ))
4.600 2.700 1.400 peak 215 spectrum 1 weight 0.10000E+01 volume 0.34624E-03 ppm1 1.350 ppm2 7.667 CV 1
ASSI { 216}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HA ))
6.000 4.500 0.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.351 ppm2 5.229 CV 1
ASSI { 217}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HE3 ))
2.600 0.800 0.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.48280E-02 ppm1 1.351 ppm2 2.881 CV 1
OR { 217}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HE2 ))
ASSI { 218}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HB2 ))
2.200 0.600 0.600 peak 218 spectrum 1 weight 0.10000E+01 volume 0.12769E-01 ppm1 1.351 ppm2 1.690 CV 1
OR { 218}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HB3 ))
ASSI { 221}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 28 and name HD3 ))
6.000 4.500 0.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.268 ppm2 1.354 CV 1
OR { 221}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HD3 ))
ASSI { 222}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 28 and name HB2 ))
2.000 0.500 0.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.17644E-01 ppm1 1.268 ppm2 1.690 CV 1
OR { 222}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HB3 ))
OR { 222}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 28 and name HB3 ))
OR { 222}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 223}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HE2 ))
2.900 1.000 1.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.29396E-02 ppm1 1.268 ppm2 2.881 CV 1
OR { 223}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 28 and name HE2 ))
OR { 223}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 28 and name HE3 ))
OR { 223}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HE3 ))
ASSI { 224}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HA ))
6.000 5.500 0.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.28738E-04 ppm1 1.268 ppm2 5.229 CV 1
OR { 224}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 28 and name HA ))
ASSI { 225}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HN ))
2.900 1.000 1.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.23184E-02 ppm1 1.268 ppm2 7.667 CV 1
OR { 225}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 28 and name HN ))
ASSI { 230}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HN ))
2.900 1.000 1.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.16128E-02 ppm1 4.065 ppm2 7.393 CV 1
ASSI { 231}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HN ))
4.400 2.400 1.600 peak 231 spectrum 1 weight 0.10000E+01 volume 0.37823E-03 ppm1 1.854 ppm2 7.393 CV 1
ASSI { 232}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HA ))
2.900 1.100 1.100 peak 232 spectrum 1 weight 0.10000E+01 volume 0.17617E-02 ppm1 1.854 ppm2 4.068 CV 1
ASSI { 233}
(( segid " " and resid 4 and name HG12))
(( segid " " and resid 4 and name HN ))
2.300 0.600 0.600 peak 233 spectrum 1 weight 0.10000E+01 volume 0.42353E-02 ppm1 0.827 ppm2 7.393 CV 1
OR { 233}
(( segid " " and resid 4 and name HG13))
(( segid " " and resid 4 and name HN ))
ASSI { 234}
(( segid " " and resid 4 and name HG12))
(( segid " " and resid 4 and name HA ))
3.500 1.500 1.500 peak 234 spectrum 1 weight 0.10000E+01 volume 0.14605E-02 ppm1 0.823 ppm2 4.068 CV 1
OR { 234}
(( segid " " and resid 4 and name HG13))
(( segid " " and resid 4 and name HA ))
ASSI { 235}
(( segid " " and resid 4 and name HG13))
(( segid " " and resid 4 and name HB ))
2.000 0.500 0.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.12395E-01 ppm1 0.824 ppm2 1.857 CV 1
OR { 235}
(( segid " " and resid 4 and name HG12))
(( segid " " and resid 4 and name HB ))
ASSI { 236}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 4 and name HN ))
5.900 4.400 0.100 peak 236 spectrum 1 weight 0.10000E+01 volume 0.17353E-03 ppm1 0.751 ppm2 7.393 CV 1
ASSI { 237}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 4 and name HA ))
6.000 6.000 0.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.31854E-05 ppm1 0.751 ppm2 4.068 CV 1
ASSI { 238}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 4 and name HB ))
2.700 0.900 0.900 peak 238 spectrum 1 weight 0.10000E+01 volume 0.36930E-02 ppm1 0.751 ppm2 1.857 CV 1
ASSI { 239}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 4 and name HG12))
3.700 3.700 2.300 peak 239 spectrum 1 weight 0.10000E+01 volume 0.37082E-03 ppm1 0.751 ppm2 0.827 CV 1
OR { 239}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 4 and name HG13))
ASSI { 240}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
3.300 1.300 1.300 peak 240 spectrum 1 weight 0.10000E+01 volume 0.13185E-02 ppm1 4.380 ppm2 7.319 CV 1
ASSI { 241}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 15 and name HN ))
3.300 1.400 1.400 peak 241 spectrum 1 weight 0.10000E+01 volume 0.17091E-02 ppm1 2.029 ppm2 7.319 CV 1
OR { 241}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HN ))
ASSI { 242}
(( segid " " and resid 15 and name HG2 ))
(( segid " " and resid 15 and name HA ))
6.000 6.000 0.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.63016E-05 ppm1 2.030 ppm2 4.383 CV 1
OR { 242}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 15 and name HA ))
ASSI { 243}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
3.100 1.200 1.200 peak 243 spectrum 1 weight 0.10000E+01 volume 0.14057E-02 ppm1 1.775 ppm2 7.319 CV 1
ASSI { 244}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HA ))
4.100 2.100 1.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.33578E-03 ppm1 1.775 ppm2 4.383 CV 1
ASSI { 245}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HG3 ))
2.500 0.800 0.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.68050E-02 ppm1 1.775 ppm2 2.033 CV 1
OR { 245}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HG2 ))
ASSI { 246}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HN ))
3.100 1.200 1.200 peak 246 spectrum 1 weight 0.10000E+01 volume 0.23565E-02 ppm1 1.558 ppm2 7.319 CV 1
ASSI { 247}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HA ))
6.000 5.900 0.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.14957E-04 ppm1 1.558 ppm2 4.383 CV 1
ASSI { 248}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HG2 ))
2.400 0.700 0.700 peak 248 spectrum 1 weight 0.10000E+01 volume 0.73612E-02 ppm1 1.558 ppm2 2.033 CV 1
OR { 248}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HG3 ))
ASSI { 249}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HB2 ))
1.800 0.400 0.400 peak 249 spectrum 1 weight 0.10000E+01 volume 0.18676E-01 ppm1 1.558 ppm2 1.778 CV 1
ASSI { 250}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.25407E-02 ppm1 4.023 ppm2 7.104 CV 1
ASSI { 251}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 12 and name HN ))
2.900 1.000 1.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.32207E-02 ppm1 1.750 ppm2 7.104 CV 1
ASSI { 252}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB ))
2.300 0.700 0.700 peak 252 spectrum 1 weight 0.10000E+01 volume 0.79219E-02 ppm1 4.023 ppm2 1.753 CV 1
ASSI { 253}
( segid " " and resid 12 and name HG1%)
(( segid " " and resid 12 and name HN ))
3.000 1.100 1.100 peak 253 spectrum 1 weight 0.10000E+01 volume 0.24375E-02 ppm1 0.680 ppm2 7.104 CV 1
OR { 253}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HN ))
ASSI { 254}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HA ))
4.000 2.000 2.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.44817E-03 ppm1 0.680 ppm2 4.023 CV 1
OR { 254}
( segid " " and resid 12 and name HG1%)
(( segid " " and resid 12 and name HA ))
ASSI { 255}
( segid " " and resid 12 and name HG1%)
(( segid " " and resid 12 and name HB ))
1.900 0.500 0.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.28987E-01 ppm1 0.680 ppm2 1.753 CV 1
OR { 255}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HB ))
ASSI { 256}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HA ))
3.200 1.300 1.300 peak 256 spectrum 1 weight 0.10000E+01 volume 0.10671E-02 ppm1 1.335 ppm2 3.578 CV 1
ASSI { 257}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HA ))
2.600 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.34818E-02 ppm1 1.142 ppm2 3.578 CV 1
ASSI { 258}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HB2 ))
1.600 0.300 0.600 peak 258 spectrum 1 weight 0.10000E+01 volume 0.23212E-01 ppm1 1.142 ppm2 1.335 CV 1
ASSI { 259}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HA ))
3.300 1.300 1.300 peak 259 spectrum 1 weight 0.10000E+01 volume 0.49069E-02 ppm1 0.740 ppm2 3.578 CV 1
ASSI { 260}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HB2 ))
3.800 1.800 1.800 peak 260 spectrum 1 weight 0.10000E+01 volume 0.34070E-03 ppm1 0.740 ppm2 1.335 CV 1
ASSI { 261}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HB3 ))
3.400 1.400 1.400 peak 261 spectrum 1 weight 0.10000E+01 volume 0.22333E-02 ppm1 0.740 ppm2 1.144 CV 1
ASSI { 262}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 5 and name HA ))
3.700 1.700 1.700 peak 262 spectrum 1 weight 0.10000E+01 volume 0.24763E-02 ppm1 0.597 ppm2 3.578 CV 1
ASSI { 263}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 5 and name HB2 ))
2.900 1.000 1.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.70287E-02 ppm1 0.601 ppm2 1.335 CV 1
ASSI { 264}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 5 and name HB3 ))
2.400 0.700 0.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.55800E-02 ppm1 0.602 ppm2 1.145 CV 1
ASSI { 265}
( segid " " and resid 5 and name HD2%)
( segid " " and resid 5 and name HD1%)
6.000 4.500 0.000 peak 265 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.601 ppm2 0.746 CV 1
ASSI { 266}
(( segid " " and resid 5 and name HG ))
( segid " " and resid 5 and name HD2%)
2.100 0.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.11308E-01 ppm1 0.242 ppm2 0.604 CV 1
ASSI { 267}
(( segid " " and resid 5 and name HG ))
( segid " " and resid 5 and name HD1%)
2.300 0.600 0.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.75479E-02 ppm1 0.242 ppm2 0.746 CV 1
ASSI { 269}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 5 and name HB3 ))
2.500 0.800 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.49956E-02 ppm1 0.242 ppm2 1.145 CV 1
ASSI { 270}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 5 and name HA ))
3.700 1.700 1.700 peak 270 spectrum 1 weight 0.10000E+01 volume 0.75202E-03 ppm1 0.242 ppm2 3.578 CV 1
ASSI { 273}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HA ))
6.000 4.500 0.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.062 ppm2 3.876 CV 1
OR { 273}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HA ))
ASSI { 275}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HA ))
3.500 1.500 1.500 peak 275 spectrum 1 weight 0.10000E+01 volume 0.69387E-03 ppm1 1.683 ppm2 3.876 CV 1
ASSI { 276}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HD2 ))
3.900 1.900 1.900 peak 276 spectrum 1 weight 0.10000E+01 volume 0.46535E-03 ppm1 1.683 ppm2 3.065 CV 1
OR { 276}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HD3 ))
ASSI { 279}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HD2 ))
2.800 1.000 1.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.42636E-02 ppm1 1.558 ppm2 3.065 CV 1
OR { 279}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HD3 ))
ASSI { 282}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HA ))
6.000 6.000 0.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.56783E-05 ppm1 1.453 ppm2 3.876 CV 1
OR { 282}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HA ))
ASSI { 283}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HD3 ))
2.700 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.37103E-02 ppm1 1.453 ppm2 3.065 CV 1
OR { 283}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HD2 ))
OR { 283}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HD3 ))
OR { 283}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HD2 ))
ASSI { 286}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 13 and name HD2 ))
1.700 0.400 0.500 peak 286 spectrum 1 weight 0.10000E+01 volume 0.20622E-01 ppm1 3.350 ppm2 3.488 CV 1
ASSI { 287}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HD2 ))
5.600 3.900 0.400 peak 287 spectrum 1 weight 0.10000E+01 volume 0.10297E-03 ppm1 2.196 ppm2 3.488 CV 1
ASSI { 288}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HD3 ))
5.000 3.100 1.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.33149E-03 ppm1 2.196 ppm2 3.354 CV 1
ASSI { 289}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HD2 ))
2.500 0.800 0.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.36453E-02 ppm1 1.961 ppm2 3.487 CV 1
ASSI { 290}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HD3 ))
3.100 1.200 1.200 peak 290 spectrum 1 weight 0.10000E+01 volume 0.29431E-02 ppm1 1.961 ppm2 3.354 CV 1
ASSI { 291}
(( segid " " and resid 13 and name HG3 ))
(( segid " " and resid 13 and name HD3 ))
2.600 0.800 0.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.29389E-02 ppm1 1.888 ppm2 3.354 CV 1
ASSI { 292}
(( segid " " and resid 13 and name HG3 ))
(( segid " " and resid 13 and name HD2 ))
3.500 1.500 1.500 peak 292 spectrum 1 weight 0.10000E+01 volume 0.12984E-02 ppm1 1.888 ppm2 3.488 CV 1
ASSI { 293}
(( segid " " and resid 13 and name HG3 ))
(( segid " " and resid 13 and name HB2 ))
3.100 1.200 1.200 peak 293 spectrum 1 weight 0.10000E+01 volume 0.24735E-02 ppm1 1.890 ppm2 2.198 CV 1
ASSI { 294}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HB2 ))
2.200 0.600 0.600 peak 294 spectrum 1 weight 0.10000E+01 volume 0.74514E-02 ppm1 1.960 ppm2 2.198 CV 1
ASSI { 296}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HG3 ))
3.800 1.800 1.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.28406E-03 ppm1 1.760 ppm2 1.892 CV 1
ASSI { 297}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HG2 ))
3.600 1.600 1.600 peak 297 spectrum 1 weight 0.10000E+01 volume 0.12264E-02 ppm1 1.761 ppm2 1.964 CV 1
ASSI { 298}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HB2 ))
1.700 0.300 0.500 peak 298 spectrum 1 weight 0.10000E+01 volume 0.24479E-01 ppm1 1.759 ppm2 2.198 CV 1
ASSI { 299}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HD3 ))
3.900 1.900 1.900 peak 299 spectrum 1 weight 0.10000E+01 volume 0.66215E-03 ppm1 1.759 ppm2 3.354 CV 1
ASSI { 300}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HD2 ))
3.900 1.900 1.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.12610E-02 ppm1 1.759 ppm2 3.488 CV 1
ASSI { 301}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 13 and name HA ))
6.000 5.100 0.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.41826E-04 ppm1 3.485 ppm2 3.888 CV 1
ASSI { 302}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 13 and name HA ))
6.000 6.000 0.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.42934E-05 ppm1 3.350 ppm2 3.888 CV 1
ASSI { 303}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HA ))
3.000 1.100 1.100 peak 303 spectrum 1 weight 0.10000E+01 volume 0.30926E-02 ppm1 2.195 ppm2 3.887 CV 1
ASSI { 304}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HA ))
6.000 4.500 0.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.960 ppm2 3.887 CV 1
ASSI { 305}
(( segid " " and resid 13 and name HG3 ))
(( segid " " and resid 13 and name HA ))
5.900 4.300 0.100 peak 305 spectrum 1 weight 0.10000E+01 volume 0.88708E-04 ppm1 1.888 ppm2 3.888 CV 1
ASSI { 306}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 13 and name HA ))
3.500 1.500 1.500 peak 306 spectrum 1 weight 0.10000E+01 volume 0.58951E-03 ppm1 1.759 ppm2 3.887 CV 1
ASSI { 307}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HD2 ))
2.200 0.600 0.600 peak 307 spectrum 1 weight 0.10000E+01 volume 0.38676E-02 ppm1 3.817 ppm2 4.093 CV 1
ASSI { 308}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HD2 ))
6.000 6.000 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.27838E-04 ppm1 2.221 ppm2 4.093 CV 1
OR { 308}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HD2 ))
ASSI { 309}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HD3 ))
3.100 1.200 1.200 peak 309 spectrum 1 weight 0.10000E+01 volume 0.26134E-02 ppm1 2.221 ppm2 3.820 CV 1
OR { 309}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HD3 ))
ASSI { 310}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB3 ))
1.900 0.400 0.400 peak 310 spectrum 1 weight 0.10000E+01 volume 0.31813E-01 ppm1 2.023 ppm2 2.224 CV 1
OR { 310}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 311}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HD3 ))
6.000 6.000 0.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.24652E-04 ppm1 2.023 ppm2 3.820 CV 1
ASSI { 312}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HD2 ))
6.000 4.500 0.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.023 ppm2 4.093 CV 1
ASSI { 313}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HD2 ))
6.000 6.000 0.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.41549E-05 ppm1 1.951 ppm2 4.093 CV 1
ASSI { 314}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HD3 ))
3.600 1.600 1.600 peak 314 spectrum 1 weight 0.10000E+01 volume 0.34638E-03 ppm1 1.951 ppm2 3.820 CV 1
ASSI { 315}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HB2 ))
1.900 0.500 0.500 peak 315 spectrum 1 weight 0.10000E+01 volume 0.24417E-01 ppm1 1.951 ppm2 2.224 CV 1
OR { 315}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HB3 ))
ASSI { 316}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HG2 ))
2.900 2.900 3.100 peak 316 spectrum 1 weight 0.10000E+01 volume 0.78112E-03 ppm1 1.951 ppm2 2.026 CV 1
ASSI { 324}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HD2 ))
3.700 1.800 1.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.16544E-02 ppm1 3.849 ppm2 7.030 CV 1
ASSI { 326}
(( segid " " and resid 6 and name HB3 ))
(( segid " " and resid 6 and name HD2 ))
3.200 1.300 1.300 peak 326 spectrum 1 weight 0.10000E+01 volume 0.79773E-03 ppm1 3.386 ppm2 7.030 CV 1
ASSI { 327}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 2 and name HN ))
3.000 1.200 1.200 peak 327 spectrum 1 weight 0.10000E+01 volume 0.35815E-02 ppm1 2.940 ppm2 8.347 CV 1
ASSI { 328}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 2 and name HA ))
4.500 2.500 1.500 peak 328 spectrum 1 weight 0.10000E+01 volume 0.16682E-03 ppm1 2.941 ppm2 4.500 CV 1
ASSI { 329}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 2 and name HB2 ))
1.700 0.300 0.500 peak 329 spectrum 1 weight 0.10000E+01 volume 0.31134E-01 ppm1 2.657 ppm2 2.944 CV 1
ASSI { 330}
(( segid " " and resid 1 and name HA ))
(( segid " " and resid 2 and name HN ))
2.200 0.600 0.600 peak 330 spectrum 1 weight 0.10000E+01 volume 0.89673E-02 ppm1 4.002 ppm2 8.347 CV 1
ASSI { 331}
( segid " " and resid 1 and name HB% )
(( segid " " and resid 2 and name HN ))
3.500 1.500 1.500 peak 331 spectrum 1 weight 0.10000E+01 volume 0.32976E-02 ppm1 1.419 ppm2 8.347 CV 1
ASSI { 332}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 3 and name HN ))
2.100 0.500 0.500 peak 332 spectrum 1 weight 0.10000E+01 volume 0.12277E-01 ppm1 4.500 ppm2 8.891 CV 1
ASSI { 333}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 3 and name HN ))
3.400 1.400 1.400 peak 333 spectrum 1 weight 0.10000E+01 volume 0.11239E-02 ppm1 2.940 ppm2 8.891 CV 1
ASSI { 334}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 3 and name HN ))
3.400 1.400 1.400 peak 334 spectrum 1 weight 0.10000E+01 volume 0.33973E-02 ppm1 2.659 ppm2 8.891 CV 1
ASSI { 335}
(( segid " " and resid 3 and name HA2 ))
(( segid " " and resid 4 and name HN ))
3.100 1.200 1.200 peak 335 spectrum 1 weight 0.10000E+01 volume 0.35573E-02 ppm1 3.771 ppm2 7.393 CV 1
ASSI { 336}
(( segid " " and resid 3 and name HA1 ))
(( segid " " and resid 4 and name HN ))
1.900 0.400 0.400 peak 336 spectrum 1 weight 0.10000E+01 volume 0.12354E-01 ppm1 4.179 ppm2 7.393 CV 1
ASSI { 337}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HN ))
2.200 2.200 3.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.11274E-01 ppm1 0.991 ppm2 7.393 CV 1
ASSI { 338}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HA ))
6.000 6.000 0.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.18697E-05 ppm1 0.991 ppm2 4.068 CV 1
ASSI { 339}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HB ))
2.500 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.43225E-02 ppm1 0.991 ppm2 1.858 CV 1
ASSI { 340}
(( segid " " and resid 4 and name HG12))
( segid " " and resid 4 and name HG2%)
3.500 1.500 1.500 peak 340 spectrum 1 weight 0.10000E+01 volume 0.97572E-03 ppm1 0.824 ppm2 0.994 CV 1
OR { 340}
(( segid " " and resid 4 and name HG13))
( segid " " and resid 4 and name HG2%)
ASSI { 341}
( segid " " and resid 4 and name HD1%)
( segid " " and resid 4 and name HG2%)
1.800 0.400 0.400 peak 341 spectrum 1 weight 0.10000E+01 volume 0.33696E-01 ppm1 0.751 ppm2 0.994 CV 1
ASSI { 342}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
2.500 0.800 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.40108E-02 ppm1 3.578 ppm2 7.840 CV 1
ASSI { 343}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HN ))
2.900 1.100 1.100 peak 343 spectrum 1 weight 0.10000E+01 volume 0.66042E-02 ppm1 1.335 ppm2 7.840 CV 1
ASSI { 344}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HN ))
2.000 0.500 0.500 peak 344 spectrum 1 weight 0.10000E+01 volume 0.98609E-02 ppm1 1.142 ppm2 7.840 CV 1
ASSI { 345}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 5 and name HN ))
4.700 2.800 1.300 peak 345 spectrum 1 weight 0.10000E+01 volume 0.68099E-03 ppm1 0.751 ppm2 7.840 CV 1
ASSI { 346}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 5 and name HN ))
2.500 0.800 0.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.43737E-02 ppm1 0.596 ppm2 7.840 CV 1
ASSI { 347}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 5 and name HN ))
5.900 4.300 0.100 peak 347 spectrum 1 weight 0.10000E+01 volume 0.20844E-04 ppm1 0.242 ppm2 7.840 CV 1
ASSI { 351}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HN ))
2.300 0.700 0.700 peak 351 spectrum 1 weight 0.10000E+01 volume 0.67475E-02 ppm1 4.065 ppm2 7.840 CV 1
ASSI { 352}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 5 and name HN ))
1.800 0.400 0.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.15290E-01 ppm1 1.854 ppm2 7.840 CV 1
ASSI { 353}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 5 and name HN ))
4.100 2.100 1.900 peak 353 spectrum 1 weight 0.10000E+01 volume 0.11162E-02 ppm1 0.991 ppm2 7.840 CV 1
ASSI { 354}
(( segid " " and resid 4 and name HG13))
(( segid " " and resid 5 and name HN ))
3.500 1.500 1.500 peak 354 spectrum 1 weight 0.10000E+01 volume 0.16405E-02 ppm1 0.828 ppm2 7.840 CV 1
OR { 354}
(( segid " " and resid 4 and name HG12))
(( segid " " and resid 5 and name HN ))
ASSI { 355}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 26 and name HN ))
2.100 0.500 0.500 peak 355 spectrum 1 weight 0.10000E+01 volume 0.14431E-01 ppm1 4.222 ppm2 8.637 CV 1
ASSI { 356}
(( segid " " and resid 25 and name HB3 ))
(( segid " " and resid 26 and name HN ))
3.500 1.500 1.500 peak 356 spectrum 1 weight 0.10000E+01 volume 0.11274E-02 ppm1 1.426 ppm2 8.637 CV 1
OR { 356}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 26 and name HN ))
ASSI { 357}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 26 and name HN ))
4.800 2.900 1.200 peak 357 spectrum 1 weight 0.10000E+01 volume 0.15027E-03 ppm1 1.217 ppm2 8.637 CV 1
ASSI { 358}
(( segid " " and resid 25 and name HG3 ))
(( segid " " and resid 26 and name HN ))
4.200 2.200 1.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.26979E-03 ppm1 1.040 ppm2 8.637 CV 1
ASSI { 359}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HN ))
3.400 1.500 1.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.21162E-02 ppm1 8.199 ppm2 8.637 CV 1
ASSI { 360}
(( segid " " and resid 27 and name HA2 ))
(( segid " " and resid 28 and name HN ))
3.200 1.200 1.200 peak 360 spectrum 1 weight 0.10000E+01 volume 0.13219E-02 ppm1 3.806 ppm2 7.668 CV 1
ASSI { 361}
(( segid " " and resid 27 and name HA1 ))
(( segid " " and resid 28 and name HN ))
3.600 1.600 1.600 peak 361 spectrum 1 weight 0.10000E+01 volume 0.16578E-02 ppm1 4.017 ppm2 7.668 CV 1
ASSI { 362}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HN ))
4.400 2.400 1.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.56922E-03 ppm1 1.682 ppm2 7.667 CV 1
ASSI { 364}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HA ))
6.000 6.000 0.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.25761E-04 ppm1 1.683 ppm2 5.227 CV 1
ASSI { 365}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HE2 ))
3.100 1.200 1.200 peak 365 spectrum 1 weight 0.10000E+01 volume 0.15082E-02 ppm1 1.681 ppm2 2.882 CV 1
OR { 365}
(( segid " " and resid 28 and name HD2 ))
(( segid " " and resid 28 and name HE3 ))
ASSI { 366}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 28 and name HD2 ))
2.000 0.500 0.500 peak 366 spectrum 1 weight 0.10000E+01 volume 0.75621E-02 ppm1 1.353 ppm2 1.686 CV 1
ASSI { 367}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 28 and name HD2 ))
2.100 0.500 0.500 peak 367 spectrum 1 weight 0.10000E+01 volume 0.16800E-01 ppm1 1.268 ppm2 1.686 CV 1
OR { 367}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 28 and name HD2 ))
ASSI { 368}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HN ))
2.000 0.500 0.500 peak 368 spectrum 1 weight 0.10000E+01 volume 0.12513E-01 ppm1 5.226 ppm2 8.533 CV 1
ASSI { 369}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 29 and name HN ))
3.100 1.200 1.200 peak 369 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 1.688 ppm2 8.533 CV 1
OR { 369}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 29 and name HN ))
ASSI { 370}
(( segid " " and resid 28 and name HG3 ))
(( segid " " and resid 29 and name HN ))
3.000 1.200 1.200 peak 370 spectrum 1 weight 0.10000E+01 volume 0.33309E-02 ppm1 1.268 ppm2 8.533 CV 1
OR { 370}
(( segid " " and resid 28 and name HG2 ))
(( segid " " and resid 29 and name HN ))
ASSI { 371}
(( segid " " and resid 28 and name HD3 ))
(( segid " " and resid 29 and name HN ))
5.200 3.400 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.31321E-03 ppm1 1.353 ppm2 8.533 CV 1
ASSI { 372}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
1.900 0.400 0.400 peak 372 spectrum 1 weight 0.10000E+01 volume 0.19507E-01 ppm1 4.877 ppm2 8.934 CV 1
ASSI { 373}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 30 and name HN ))
3.400 1.500 1.500 peak 373 spectrum 1 weight 0.10000E+01 volume 0.77629E-03 ppm1 2.336 ppm2 8.934 CV 1
ASSI { 374}
( segid " " and resid 30 and name HD1%)
(( segid " " and resid 30 and name HN ))
4.300 2.300 1.700 peak 374 spectrum 1 weight 0.10000E+01 volume 0.70010E-03 ppm1 1.556 ppm2 8.934 CV 1
ASSI { 376}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
2.000 0.500 0.500 peak 376 spectrum 1 weight 0.10000E+01 volume 0.16924E-01 ppm1 3.976 ppm2 7.104 CV 1
ASSI { 377}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 12 and name HN ))
4.400 2.500 1.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.70218E-03 ppm1 2.655 ppm2 7.104 CV 1
OR { 377}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HN ))
ASSI { 378}
(( segid " " and resid 13 and name HD3 ))
(( segid " " and resid 12 and name HA ))
3.000 1.100 1.100 peak 378 spectrum 1 weight 0.10000E+01 volume 0.21668E-02 ppm1 3.350 ppm2 4.023 CV 1
ASSI { 379}
(( segid " " and resid 13 and name HD2 ))
(( segid " " and resid 12 and name HA ))
3.000 1.100 1.100 peak 379 spectrum 1 weight 0.10000E+01 volume 0.11772E-02 ppm1 3.485 ppm2 4.023 CV 1
ASSI { 380}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HN ))
2.000 2.000 4.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.19860E-01 ppm1 3.578 ppm2 9.442 CV 1
ASSI { 381}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HA ))
6.000 4.500 0.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.090 ppm2 4.519 CV 1
ASSI { 382}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HA ))
6.000 4.500 0.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.817 ppm2 4.519 CV 1
ASSI { 384}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HA ))
6.000 4.500 0.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.023 ppm2 4.519 CV 1
ASSI { 385}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HA ))
6.000 4.500 0.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.951 ppm2 4.519 CV 1
ASSI { 386}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HA ))
6.000 4.500 0.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.221 ppm2 4.519 CV 1
OR { 386}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HA ))
ASSI { 387}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HA ))
1.800 1.800 4.200 peak 387 spectrum 1 weight 0.10000E+01 volume 0.33918E-01 ppm1 2.582 ppm2 2.902 CV 1
OR { 387}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HA ))
ASSI { 388}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
2.500 0.800 0.800 peak 388 spectrum 1 weight 0.10000E+01 volume 0.37650E-02 ppm1 2.899 ppm2 9.507 CV 1
ASSI { 389}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 19 and name HN ))
3.600 1.600 1.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.77416E-03 ppm1 2.582 ppm2 9.507 CV 1
OR { 389}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 19 and name HN ))
ASSI { 390}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HN ))
5.000 3.100 1.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.27789E-03 ppm1 7.921 ppm2 9.507 CV 1
ASSI { 391}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.500 0.800 0.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.41535E-02 ppm1 1.683 ppm2 7.967 CV 1
ASSI { 392}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HN ))
4.100 2.100 1.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.45607E-03 ppm1 1.453 ppm2 7.967 CV 1
OR { 392}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HN ))
ASSI { 393}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 20 and name HN ))
2.900 1.100 1.100 peak 393 spectrum 1 weight 0.10000E+01 volume 0.85039E-02 ppm1 3.219 ppm2 7.967 CV 1
ASSI { 394}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 20 and name HN ))
2.800 1.000 1.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.23641E-02 ppm1 2.377 ppm2 7.967 CV 1
ASSI { 395}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
2.000 0.500 0.500 peak 395 spectrum 1 weight 0.10000E+01 volume 0.19175E-01 ppm1 4.294 ppm2 7.967 CV 1
ASSI { 396}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HN ))
5.200 3.400 0.800 peak 396 spectrum 1 weight 0.10000E+01 volume 0.28475E-03 ppm1 7.964 ppm2 9.507 CV 1
ASSI { 397}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HN ))
5.400 3.700 0.600 peak 397 spectrum 1 weight 0.10000E+01 volume 0.10720E-03 ppm1 3.062 ppm2 7.967 CV 1
OR { 397}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HN ))
ASSI { 398}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
1.900 0.400 0.400 peak 398 spectrum 1 weight 0.10000E+01 volume 0.20449E-01 ppm1 3.873 ppm2 8.694 CV 1
ASSI { 399}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 21 and name HN ))
6.000 6.000 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.69941E-05 ppm1 1.683 ppm2 8.695 CV 1
ASSI { 400}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 21 and name HN ))
3.500 1.500 1.500 peak 400 spectrum 1 weight 0.10000E+01 volume 0.18184E-02 ppm1 1.558 ppm2 8.694 CV 1
ASSI { 401}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 21 and name HN ))
4.200 2.200 1.800 peak 401 spectrum 1 weight 0.10000E+01 volume 0.56257E-03 ppm1 1.453 ppm2 8.694 CV 1
OR { 401}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 21 and name HN ))
ASSI { 402}
(( segid " " and resid 21 and name HA2 ))
(( segid " " and resid 22 and name HN ))
3.200 1.300 1.300 peak 402 spectrum 1 weight 0.10000E+01 volume 0.14417E-02 ppm1 3.497 ppm2 8.148 CV 1
ASSI { 403}
(( segid " " and resid 21 and name HA1 ))
(( segid " " and resid 22 and name HN ))
3.100 1.200 1.200 peak 403 spectrum 1 weight 0.10000E+01 volume 0.30268E-02 ppm1 4.160 ppm2 8.147 CV 1
ASSI { 404}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
2.500 0.800 0.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.50966E-02 ppm1 8.145 ppm2 8.695 CV 1
ASSI { 405}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
2.100 0.600 0.600 peak 405 spectrum 1 weight 0.10000E+01 volume 0.10768E-01 ppm1 5.028 ppm2 9.398 CV 1
ASSI { 406}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HN ))
3.600 1.600 1.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.20719E-02 ppm1 2.036 ppm2 9.399 CV 1
ASSI { 407}
(( segid " " and resid 22 and name HG ))
(( segid " " and resid 23 and name HN ))
5.000 3.200 1.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.33717E-03 ppm1 1.157 ppm2 9.398 CV 1
ASSI { 408}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HN ))
2.400 0.700 0.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.61582E-02 ppm1 0.904 ppm2 9.398 CV 1
ASSI { 409}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 23 and name HN ))
5.000 3.100 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.36909E-03 ppm1 0.603 ppm2 9.398 CV 1
ASSI { 410}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 23 and name HN ))
4.100 2.100 1.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.10117E-02 ppm1 0.471 ppm2 9.398 CV 1
ASSI { 411}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
6.000 5.300 0.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.53529E-04 ppm1 8.148 ppm2 9.399 CV 1
ASSI { 412}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
2.100 0.600 0.600 peak 412 spectrum 1 weight 0.10000E+01 volume 0.11302E-01 ppm1 4.461 ppm2 9.125 CV 1
ASSI { 413}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 24 and name HN ))
3.600 1.600 1.600 peak 413 spectrum 1 weight 0.10000E+01 volume 0.13101E-02 ppm1 2.054 ppm2 9.125 CV 1
OR { 413}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 24 and name HN ))
ASSI { 414}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
3.800 1.800 1.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.15781E-02 ppm1 1.774 ppm2 9.125 CV 1
ASSI { 415}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 24 and name HN ))
3.600 1.600 1.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.11585E-02 ppm1 1.704 ppm2 9.125 CV 1
ASSI { 416}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HN ))
3.000 1.100 1.100 peak 416 spectrum 1 weight 0.10000E+01 volume 0.19016E-02 ppm1 3.849 ppm2 8.600 CV 1
ASSI { 417}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 7 and name HN ))
4.500 2.500 1.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.47005E-03 ppm1 3.767 ppm2 8.600 CV 1
ASSI { 418}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HD2 ))
3.800 1.800 1.800 peak 418 spectrum 1 weight 0.10000E+01 volume 0.12804E-02 ppm1 3.766 ppm2 7.030 CV 1
ASSI { 419}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HD21))
2.600 0.900 0.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.35580E-02 ppm1 2.525 ppm2 7.562 CV 1
ASSI { 420}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HD21))
3.100 1.200 1.200 peak 420 spectrum 1 weight 0.10000E+01 volume 0.14896E-02 ppm1 2.651 ppm2 7.562 CV 1
ASSI { 422}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HD21))
2.600 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.42595E-02 ppm1 2.734 ppm2 7.449 CV 1
ASSI { 423}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HD21))
2.500 0.800 0.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.39859E-02 ppm1 2.959 ppm2 7.449 CV 1
ASSI { 425}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 16 and name HN ))
4.800 2.800 1.200 peak 425 spectrum 1 weight 0.10000E+01 volume 0.26425E-03 ppm1 1.558 ppm2 8.595 CV 1
ASSI { 426}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
3.600 1.600 1.600 peak 426 spectrum 1 weight 0.10000E+01 volume 0.15754E-02 ppm1 1.773 ppm2 8.594 CV 1
ASSI { 427}
(( segid " " and resid 15 and name HG3 ))
(( segid " " and resid 16 and name HN ))
4.100 2.100 1.900 peak 427 spectrum 1 weight 0.10000E+01 volume 0.36529E-03 ppm1 2.031 ppm2 8.594 CV 1
ASSI { 428}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
2.300 0.700 0.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.89886E-02 ppm1 4.384 ppm2 8.594 CV 1
ASSI { 429}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HN ))
4.800 2.900 1.200 peak 429 spectrum 1 weight 0.10000E+01 volume 0.46203E-03 ppm1 0.738 ppm2 7.841 CV 1
ASSI { 431}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 8 and name HN ))
4.100 2.100 1.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.89056E-03 ppm1 2.833 ppm2 8.443 CV 1
OR { 431}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 8 and name HN ))
ASSI { 432}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
2.000 0.500 0.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.16523E-01 ppm1 4.556 ppm2 8.443 CV 1
ASSI { 433}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HN ))
3.400 1.500 1.500 peak 433 spectrum 1 weight 0.10000E+01 volume 0.99233E-03 ppm1 2.525 ppm2 8.247 CV 1
ASSI { 434}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HN ))
3.200 1.300 1.300 peak 434 spectrum 1 weight 0.10000E+01 volume 0.31480E-02 ppm1 2.651 ppm2 8.247 CV 1
ASSI { 435}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
2.000 0.500 0.500 peak 435 spectrum 1 weight 0.10000E+01 volume 0.16232E-01 ppm1 5.047 ppm2 8.247 CV 1
ASSI { 436}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
2.800 1.000 1.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.22540E-02 ppm1 4.687 ppm2 8.247 CV 1
ASSI { 437}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
2.000 0.500 0.500 peak 437 spectrum 1 weight 0.10000E+01 volume 0.19771E-01 ppm1 4.687 ppm2 8.070 CV 1
ASSI { 438}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 10 and name HN ))
3.100 1.200 1.200 peak 438 spectrum 1 weight 0.10000E+01 volume 0.46196E-02 ppm1 2.579 ppm2 8.070 CV 1
ASSI { 439}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 10 and name HN ))
3.200 1.200 1.200 peak 439 spectrum 1 weight 0.10000E+01 volume 0.16703E-02 ppm1 3.075 ppm2 8.070 CV 1
ASSI { 440}
( segid " " and resid 10 and name HG2%)
(( segid " " and resid 11 and name HN ))
2.900 1.000 1.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.37512E-02 ppm1 0.732 ppm2 8.604 CV 1
ASSI { 441}
( segid " " and resid 10 and name HG1%)
(( segid " " and resid 11 and name HN ))
4.300 2.300 1.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.46771E-03 ppm1 0.844 ppm2 8.604 CV 1
ASSI { 449}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 14 and name HN ))
2.800 1.000 1.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.22153E-02 ppm1 2.194 ppm2 8.077 CV 1
ASSI { 450}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
2.800 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.25047E-02 ppm1 7.316 ppm2 8.074 CV 1
ASSI { 451}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
3.300 1.300 1.300 peak 451 spectrum 1 weight 0.10000E+01 volume 0.16606E-02 ppm1 3.950 ppm2 7.319 CV 1
ASSI { 452}
( segid " " and resid 14 and name HB% )
(( segid " " and resid 15 and name HN ))
3.200 1.300 1.300 peak 452 spectrum 1 weight 0.10000E+01 volume 0.16218E-02 ppm1 1.300 ppm2 7.319 CV 1
ASSI { 453}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HD2 ))
3.000 1.100 1.100 peak 453 spectrum 1 weight 0.10000E+01 volume 0.14999E-02 ppm1 4.987 ppm2 4.093 CV 1
ASSI { 454}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HD3 ))
2.500 0.800 0.800 peak 454 spectrum 1 weight 0.10000E+01 volume 0.34375E-02 ppm1 4.985 ppm2 3.820 CV 1
ASSI { 455}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 18 and name HN ))
2.900 1.000 1.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.14916E-02 ppm1 4.090 ppm2 7.923 CV 1
ASSI { 456}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 18 and name HN ))
4.700 2.800 1.300 peak 456 spectrum 1 weight 0.10000E+01 volume 0.51285E-03 ppm1 3.817 ppm2 7.923 CV 1
ASSI { 458}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 25 and name HN ))
2.700 2.700 3.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.30940E-02 ppm1 7.667 ppm2 9.270 CV 1
ASSI { 459}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 23 and name HN ))
2.700 0.900 0.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.33482E-02 ppm1 8.934 ppm2 9.398 CV 1
ASSI { 460}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HN ))
2.800 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.29182E-02 ppm1 7.664 ppm2 8.202 CV 1
ASSI { 461}
( segid " " and resid 30 and name HD2%)
(( segid " " and resid 31 and name HN ))
3.600 1.600 1.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.19382E-02 ppm1 1.426 ppm2 8.067 CV 1
ASSI { 462}
( segid " " and resid 30 and name HD1%)
(( segid " " and resid 31 and name HN ))
3.100 1.200 1.200 peak 462 spectrum 1 weight 0.10000E+01 volume 0.58757E-02 ppm1 1.557 ppm2 8.067 CV 1
ASSI { 463}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 23 and name HN ))
4.100 2.100 1.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.46688E-03 ppm1 3.701 ppm2 9.400 CV 1
ASSI { 464}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 31 and name HA ))
2.700 0.900 0.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.29209E-02 ppm1 5.023 ppm2 3.701 CV 1
ASSI { 465}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 32 and name HN ))
2.400 0.700 0.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.57047E-02 ppm1 5.027 ppm2 8.042 CV 1
ASSI { 466}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
1.900 0.500 0.500 peak 466 spectrum 1 weight 0.10000E+01 volume 0.16211E-01 ppm1 3.701 ppm2 8.042 CV 1
ASSI { 467}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
2.500 0.800 0.800 peak 467 spectrum 1 weight 0.10000E+01 volume 0.54755E-02 ppm1 4.012 ppm2 8.107 CV 1
ASSI { 468}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
2.600 0.800 0.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.45385E-02 ppm1 3.946 ppm2 8.722 CV 1
ASSI { 469}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HN ))
2.600 0.800 0.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.43495E-02 ppm1 1.574 ppm2 8.042 CV 1
ASSI { 470}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 33 and name HN ))
4.100 2.100 1.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.64844E-03 ppm1 1.576 ppm2 8.107 CV 1
ASSI { 471}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 33 and name HN ))
4.800 2.900 1.200 peak 471 spectrum 1 weight 0.10000E+01 volume 0.31342E-03 ppm1 1.631 ppm2 8.107 CV 1
ASSI { 472}
(( segid " " and resid 8 and name HD22))
(( segid " " and resid 8 and name HD21))
1.500 0.300 0.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.53771E-01 ppm1 6.962 ppm2 7.562 CV 1
ASSI { 473}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HD22))
4.000 2.000 2.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.11918E-02 ppm1 2.525 ppm2 6.965 CV 1
ASSI { 474}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HD22))
5.100 3.300 0.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.29742E-03 ppm1 2.651 ppm2 6.965 CV 1
ASSI { 475}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 6 and name HN ))
4.200 2.200 1.800 peak 475 spectrum 1 weight 0.10000E+01 volume 0.46272E-03 ppm1 1.335 ppm2 9.442 CV 1
ASSI { 476}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 6 and name HN ))
4.600 2.700 1.400 peak 476 spectrum 1 weight 0.10000E+01 volume 0.34008E-03 ppm1 1.142 ppm2 9.442 CV 1
ASSI { 477}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 6 and name HN ))
3.900 1.900 1.900 peak 477 spectrum 1 weight 0.10000E+01 volume 0.11717E-02 ppm1 0.596 ppm2 9.442 CV 1
ASSI { 478}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 6 and name HN ))
2.800 1.000 1.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.11204E-02 ppm1 0.242 ppm2 9.442 CV 1
ASSI { 479}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 6 and name HN ))
3.200 1.300 1.300 peak 479 spectrum 1 weight 0.10000E+01 volume 0.37297E-02 ppm1 0.738 ppm2 9.442 CV 1
ASSI { 480}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 4 and name HA ))
4.000 2.000 2.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.13642E-02 ppm1 0.602 ppm2 4.068 CV 1
ASSI { 481}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 19 and name HN ))
3.100 1.200 1.200 peak 481 spectrum 1 weight 0.10000E+01 volume 0.20657E-02 ppm1 0.601 ppm2 9.507 CV 1
ASSI { 482}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 7 and name HN ))
3.400 1.500 1.500 peak 482 spectrum 1 weight 0.10000E+01 volume 0.91405E-03 ppm1 3.578 ppm2 8.600 CV 1
ASSI { 484}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 6 and name HE1 ))
4.100 2.100 1.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.10172E-02 ppm1 0.604 ppm2 8.579 CV 1
ASSI { 485}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 6 and name HE1 ))
5.200 3.300 0.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.30172E-03 ppm1 0.242 ppm2 8.579 CV 1
ASSI { 486}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 7 and name HN ))
3.700 1.700 1.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.57227E-03 ppm1 2.336 ppm2 8.600 CV 1
ASSI { 487}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 6 and name HD2 ))
2.900 1.100 1.100 peak 487 spectrum 1 weight 0.10000E+01 volume 0.92171E-03 ppm1 0.242 ppm2 7.032 CV 1
ASSI { 488}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 6 and name HD2 ))
3.700 1.700 1.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.74577E-03 ppm1 0.604 ppm2 7.032 CV 1
ASSI { 489}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 6 and name HD2 ))
3.500 1.500 1.500 peak 489 spectrum 1 weight 0.10000E+01 volume 0.75621E-03 ppm1 0.738 ppm2 7.033 CV 1
ASSI { 490}
( segid " " and resid 31 and name HG1%)
(( segid " " and resid 6 and name HD2 ))
2.400 2.400 3.600 peak 490 spectrum 1 weight 0.10000E+01 volume 0.37678E-02 ppm1 0.850 ppm2 7.032 CV 1
OR { 490}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 6 and name HD2 ))
ASSI { 491}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 6 and name HN ))
2.800 2.800 3.200 peak 491 spectrum 1 weight 0.10000E+01 volume 0.14985E-02 ppm1 2.944 ppm2 9.442 CV 1
ASSI { 492}
( segid " " and resid 31 and name HG1%)
(( segid " " and resid 6 and name HN ))
3.500 3.500 2.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.35199E-03 ppm1 0.849 ppm2 9.442 CV 1
OR { 492}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 6 and name HN ))
ASSI { 493}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HN ))
4.300 2.300 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.29798E-03 ppm1 7.027 ppm2 9.442 CV 1
ASSI { 494}
(( segid " " and resid 8 and name HD21))
(( segid " " and resid 8 and name HN ))
4.100 2.100 1.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.42622E-03 ppm1 7.559 ppm2 8.443 CV 1
ASSI { 495}
(( segid " " and resid 8 and name HD22))
(( segid " " and resid 8 and name HN ))
6.000 6.000 0.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.58169E-05 ppm1 6.962 ppm2 8.443 CV 1
ASSI { 496}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 9 and name HN ))
2.600 0.900 0.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.23974E-02 ppm1 5.223 ppm2 8.247 CV 1
ASSI { 497}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 29 and name HN ))
4.700 2.800 1.300 peak 497 spectrum 1 weight 0.10000E+01 volume 0.29278E-03 ppm1 5.055 ppm2 8.533 CV 1
ASSI { 498}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HN ))
4.100 2.100 1.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.20643E-03 ppm1 7.837 ppm2 9.442 CV 1
ASSI { 500}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 6 and name HN ))
3.500 3.500 2.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.68542E-03 ppm1 2.336 ppm2 9.442 CV 1
ASSI { 504}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 18 and name HA ))
2.400 2.400 3.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.10415E-01 ppm1 2.033 ppm2 2.899 CV 1
ASSI { 505}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 18 and name HB2 ))
3.000 1.100 1.100 peak 505 spectrum 1 weight 0.10000E+01 volume 0.28987E-02 ppm1 2.023 ppm2 2.585 CV 1
OR { 505}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 506}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 18 and name HB2 ))
3.600 3.600 2.400 peak 506 spectrum 1 weight 0.10000E+01 volume 0.36542E-02 ppm1 1.951 ppm2 2.585 CV 1
OR { 506}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 507}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 18 and name HB2 ))
3.600 1.600 1.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.20643E-02 ppm1 2.221 ppm2 2.585 CV 1
OR { 507}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 18 and name HB2 ))
OR { 507}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 508}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 18 and name HN ))
4.200 2.200 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.47961E-03 ppm1 2.221 ppm2 7.924 CV 1
OR { 508}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 18 and name HN ))
ASSI { 509}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 18 and name HN ))
3.500 1.600 1.600 peak 509 spectrum 1 weight 0.10000E+01 volume 0.69456E-03 ppm1 2.023 ppm2 7.924 CV 1
ASSI { 510}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 18 and name HN ))
4.100 2.100 1.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.13074E-02 ppm1 1.951 ppm2 7.924 CV 1
ASSI { 511}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 19 and name HN ))
3.500 1.500 1.500 peak 511 spectrum 1 weight 0.10000E+01 volume 0.12596E-02 ppm1 8.891 ppm2 9.507 CV 1
ASSI { 512}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 19 and name HN ))
4.000 2.000 2.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.33911E-03 ppm1 4.065 ppm2 9.507 CV 1
ASSI { 513}
(( segid " " and resid 3 and name HA2 ))
(( segid " " and resid 19 and name HN ))
4.400 2.400 1.600 peak 513 spectrum 1 weight 0.10000E+01 volume 0.48509E-03 ppm1 3.771 ppm2 9.507 CV 1
ASSI { 514}
(( segid " " and resid 3 and name HA1 ))
(( segid " " and resid 19 and name HN ))
6.000 6.000 0.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.10180E-04 ppm1 4.184 ppm2 9.507 CV 1
ASSI { 515}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 19 and name HN ))
3.200 1.300 1.300 peak 515 spectrum 1 weight 0.10000E+01 volume 0.93761E-03 ppm1 2.033 ppm2 9.507 CV 1
ASSI { 516}
(( segid " " and resid 4 and name HG12))
(( segid " " and resid 19 and name HN ))
5.400 3.700 0.600 peak 516 spectrum 1 weight 0.10000E+01 volume 0.17084E-03 ppm1 0.826 ppm2 9.507 CV 1
OR { 516}
(( segid " " and resid 4 and name HG13))
(( segid " " and resid 19 and name HN ))
ASSI { 517}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 5 and name HN ))
3.900 1.900 1.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.36688E-03 ppm1 0.469 ppm2 7.840 CV 1
ASSI { 518}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HB2 ))
1.600 0.300 0.600 peak 518 spectrum 1 weight 0.10000E+01 volume 0.30961E-01 ppm1 1.558 ppm2 1.686 CV 1
ASSI { 519}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HB2 ))
2.700 0.900 0.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.41812E-02 ppm1 1.453 ppm2 1.686 CV 1
OR { 519}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 520}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HB3 ))
1.700 0.400 0.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.50433E-01 ppm1 1.453 ppm2 1.561 CV 1
OR { 520}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HB3 ))
ASSI { 521}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 23 and name HN ))
4.300 2.400 1.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.37996E-03 ppm1 8.042 ppm2 9.394 CV 1
ASSI { 523}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 25 and name HN ))
3.500 1.500 1.500 peak 523 spectrum 1 weight 0.10000E+01 volume 0.52809E-03 ppm1 4.877 ppm2 9.270 CV 1
ASSI { 524}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 29 and name HN ))
4.300 2.300 1.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.30629E-03 ppm1 2.834 ppm2 8.533 CV 1
OR { 524}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 29 and name HN ))
ASSI { 525}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 30 and name HN ))
5.400 3.700 0.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.95770E-04 ppm1 0.470 ppm2 8.934 CV 1
ASSI { 527}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 30 and name HN ))
5.600 4.000 0.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.15560E-03 ppm1 2.037 ppm2 8.934 CV 1
ASSI { 528}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 31 and name HN ))
3.700 1.700 1.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.83513E-03 ppm1 0.460 ppm2 8.067 CV 1
ASSI { 529}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 32 and name HN ))
3.800 1.800 1.800 peak 529 spectrum 1 weight 0.10000E+01 volume 0.11883E-02 ppm1 0.461 ppm2 8.042 CV 1
ASSI { 530}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 34 and name HN ))
4.000 2.000 2.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.64920E-03 ppm1 0.789 ppm2 8.721 CV 1
OR { 530}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 34 and name HN ))
ASSI { 531}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 31 and name HA ))
2.800 1.000 1.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.22160E-02 ppm1 1.815 ppm2 3.701 CV 1
ASSI { 533}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 31 and name HN ))
2.800 1.000 1.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.31993E-02 ppm1 1.816 ppm2 8.067 CV 1
ASSI { 534}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 31 and name HN ))
2.300 0.700 0.700 peak 534 spectrum 1 weight 0.10000E+01 volume 0.10290E-01 ppm1 0.843 ppm2 8.067 CV 1
OR { 534}
( segid " " and resid 31 and name HG1%)
(( segid " " and resid 31 and name HN ))
ASSI { 535}
( segid " " and resid 31 and name HG1%)
(( segid " " and resid 31 and name HA ))
2.500 0.800 0.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.58141E-02 ppm1 0.843 ppm2 3.701 CV 1
OR { 535}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 31 and name HA ))
ASSI { 536}
( segid " " and resid 31 and name HG1%)
(( segid " " and resid 31 and name HB ))
2.200 0.600 0.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.13718E-01 ppm1 0.842 ppm2 1.815 CV 1
OR { 536}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 31 and name HB ))
ASSI { 537}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 31 and name HA ))
2.500 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.50780E-02 ppm1 0.466 ppm2 3.701 CV 1
ASSI { 538}
( segid " " and resid 22 and name HD2%)
(( segid " " and resid 5 and name HA ))
3.200 1.300 1.300 peak 538 spectrum 1 weight 0.10000E+01 volume 0.12340E-02 ppm1 0.466 ppm2 3.578 CV 1
ASSI { 539}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 5 and name HA ))
4.800 2.900 1.200 peak 539 spectrum 1 weight 0.10000E+01 volume 0.34118E-03 ppm1 2.938 ppm2 3.578 CV 1
ASSI { 541}
(( segid " " and resid 30 and name HG ))
(( segid " " and resid 28 and name HN ))
4.000 2.000 2.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.17554E-03 ppm1 0.878 ppm2 7.661 CV 1
ASSI { 546}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 24 and name HN ))
5.700 4.100 0.300 peak 546 spectrum 1 weight 0.10000E+01 volume 0.81575E-04 ppm1 7.104 ppm2 9.122 CV 1
ASSI { 547}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 5 and name HB2 ))
6.000 4.500 0.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.244 ppm2 1.335 CV 1
ASSI { 549}
(( segid " " and resid 30 and name HG ))
(( segid " " and resid 25 and name HN ))
3.900 1.900 1.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.39583E-03 ppm1 0.874 ppm2 9.271 CV 1
ASSI { 550}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 19 and name HN ))
3.600 1.600 1.600 peak 550 spectrum 1 weight 0.10000E+01 volume 0.17001E-02 ppm1 2.658 ppm2 9.507 CV 1
ASSI { 553}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 19 and name HB3 ))
2.900 1.100 1.100 peak 553 spectrum 1 weight 0.10000E+01 volume 0.51548E-02 ppm1 0.595 ppm2 2.380 CV 1
ASSI { 557}
( segid " " and resid 22 and name HD1%)
(( segid " " and resid 19 and name HB2 ))
3.600 1.600 1.600 peak 557 spectrum 1 weight 0.10000E+01 volume 0.57988E-03 ppm1 0.597 ppm2 3.224 CV 1
ASSI { 559}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 18 and name HB3 ))
3.900 1.900 1.900 peak 559 spectrum 1 weight 0.10000E+01 volume 0.88985E-03 ppm1 0.896 ppm2 2.588 CV 1
OR { 559}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 18 and name HB2 ))
ASSI { 572}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 23 and name HN ))
5.100 3.300 0.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.18088E-03 ppm1 4.878 ppm2 9.401 CV 1
ASSI { 584}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HN ))
4.600 2.700 1.400 peak 584 spectrum 1 weight 0.10000E+01 volume 0.33613E-03 ppm1 7.099 ppm2 8.600 CV 1
ASSI { 585}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HE1 ))
4.500 2.500 1.500 peak 585 spectrum 1 weight 0.10000E+01 volume 0.37277E-03 ppm1 7.029 ppm2 8.581 CV 1
ASSI { 586}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 7 and name HN ))
5.200 3.400 0.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.21148E-03 ppm1 7.384 ppm2 8.596 CV 1
ASSI { 588}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 4 and name HN ))
2.700 0.900 0.900 peak 588 spectrum 1 weight 0.10000E+01 volume 0.21793E-02 ppm1 2.836 ppm2 7.394 CV 1
OR { 588}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 4 and name HN ))
ASSI { 591}
(( segid " " and resid 30 and name HG ))
(( segid " " and resid 28 and name HG3 ))
3.200 1.300 1.300 peak 591 spectrum 1 weight 0.10000E+01 volume 0.98055E-03 ppm1 0.865 ppm2 1.270 CV 1
OR { 591}
(( segid " " and resid 30 and name HG ))
(( segid " " and resid 28 and name HG2 ))
ASSI { 592}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HD22))
4.200 2.200 1.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.95770E-03 ppm1 2.735 ppm2 7.128 CV 1
ASSI { 593}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HD22))
4.000 2.000 2.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.12146E-02 ppm1 2.961 ppm2 7.128 CV 1
ASSI { 596}
(( segid " " and resid 16 and name HD22))
(( segid " " and resid 16 and name HD21))
1.600 0.300 0.600 peak 596 spectrum 1 weight 0.10000E+01 volume 0.41355E-01 ppm1 7.125 ppm2 7.450 CV 1
ASSI { 597}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
2.500 0.800 0.800 peak 597 spectrum 1 weight 0.10000E+01 volume 0.38253E-02 ppm1 4.989 ppm2 2.964 CV 1
ASSI { 598}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB3 ))
2.600 0.800 0.800 peak 598 spectrum 1 weight 0.10000E+01 volume 0.62628E-02 ppm1 4.988 ppm2 2.737 CV 1
ASSI { 599}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 16 and name HD21))
3.900 1.900 1.900 peak 599 spectrum 1 weight 0.10000E+01 volume 0.66291E-03 ppm1 4.452 ppm2 7.450 CV 1
ASSI { 600}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 16 and name HD22))
2.800 2.800 3.200 peak 600 spectrum 1 weight 0.10000E+01 volume 0.30082E-02 ppm1 4.452 ppm2 7.129 CV 1
ASSI { 601}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 16 and name HD22))
3.700 1.700 1.700 peak 601 spectrum 1 weight 0.10000E+01 volume 0.57469E-03 ppm1 2.582 ppm2 7.129 CV 1
OR { 601}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 16 and name HD22))
ASSI { 606}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 4 and name HB ))
4.500 2.600 1.500 peak 606 spectrum 1 weight 0.10000E+01 volume 0.21148E-03 ppm1 0.595 ppm2 1.860 CV 1
ASSI { 611}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HB2 ))
1.700 0.300 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.29874E-01 ppm1 2.590 ppm2 3.079 CV 1
ASSI { 612}
( segid " " and resid 14 and name HB% )
(( segid " " and resid 15 and name HG3 ))
5.300 3.500 0.700 peak 612 spectrum 1 weight 0.10000E+01 volume 0.10796E-03 ppm1 1.302 ppm2 2.033 CV 1
OR { 612}
( segid " " and resid 14 and name HB% )
(( segid " " and resid 15 and name HG2 ))
ASSI { 613}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 6 and name HE1 ))
5.000 3.100 1.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.38343E-03 ppm1 0.738 ppm2 8.581 CV 1
ASSI { 615}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 6 and name HE1 ))
4.500 2.500 1.500 peak 615 spectrum 1 weight 0.10000E+01 volume 0.81093E-04 ppm1 2.832 ppm2 8.581 CV 1
ASSI { 623}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 28 and name HA ))
3.500 1.500 1.500 peak 623 spectrum 1 weight 0.10000E+01 volume 0.40289E-03 ppm1 5.050 ppm2 5.220 CV 1
ASSI { 624}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 29 and name HN ))
6.000 4.500 0.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.860 ppm2 8.532 CV 1
ASSI { 626}
( segid " " and resid 30 and name HD2%)
( segid " " and resid 30 and name HD1%)
6.000 4.500 0.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.426 ppm2 1.556 CV 1
ASSI { 627}
(( segid " " and resid 30 and name HG ))
(( segid " " and resid 30 and name HB2 ))
6.000 4.500 0.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.872 ppm2 1.626 CV 1
OR { 627}
(( segid " " and resid 30 and name HG ))
(( segid " " and resid 30 and name HB3 ))
ASSI { 628}
(( segid " " and resid 30 and name HG ))
( segid " " and resid 30 and name HD1%)
6.000 4.500 0.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.872 ppm2 1.556 CV 1
ASSI { 629}
(( segid " " and resid 31 and name HB ))
(( segid " " and resid 32 and name HN ))
3.500 1.500 1.500 peak 629 spectrum 1 weight 0.10000E+01 volume 0.17832E-02 ppm1 1.817 ppm2 8.043 CV 1
ASSI { 631}
( segid " " and resid 31 and name HG1%)
(( segid " " and resid 32 and name HN ))
3.100 1.200 1.200 peak 631 spectrum 1 weight 0.10000E+01 volume 0.32595E-02 ppm1 0.843 ppm2 8.043 CV 1
OR { 631}
( segid " " and resid 31 and name HG2%)
(( segid " " and resid 32 and name HN ))
ASSI { 636}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HA ))
3.900 1.900 1.900 peak 636 spectrum 1 weight 0.10000E+01 volume 0.33488E-03 ppm1 1.629 ppm2 4.013 CV 1
ASSI { 637}
(( segid " " and resid 32 and name HB3 ))
(( segid " " and resid 32 and name HA ))
5.100 3.200 0.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.10539E-03 ppm1 1.575 ppm2 4.013 CV 1
ASSI { 638}
( segid " " and resid 30 and name HD2%)
(( segid " " and resid 30 and name HB2 ))
6.000 4.500 0.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.427 ppm2 1.627 CV 1
OR { 638}
( segid " " and resid 30 and name HD2%)
(( segid " " and resid 30 and name HB3 ))
ASSI { 639}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
3.000 1.100 1.100 peak 639 spectrum 1 weight 0.10000E+01 volume 0.16107E-02 ppm1 4.728 ppm2 9.120 CV 1
ASSI { 640}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
2.200 0.600 0.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.75550E-02 ppm1 4.729 ppm2 9.270 CV 1
ASSI { 645}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 6 and name HN ))
3.600 3.600 2.400 peak 645 spectrum 1 weight 0.10000E+01 volume 0.33565E-03 ppm1 4.693 ppm2 9.442 CV 1
ASSI { 646}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 5 and name HA ))
3.500 1.500 1.500 peak 646 spectrum 1 weight 0.10000E+01 volume 0.55399E-03 ppm1 2.338 ppm2 3.578 CV 1
ASSI { 647}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HN ))
2.700 0.900 0.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.28073E-02 ppm1 8.593 ppm2 9.441 CV 1
ASSI { 650}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 18 and name HN ))
5.500 3.700 0.500 peak 650 spectrum 1 weight 0.10000E+01 volume 0.70287E-04 ppm1 2.970 ppm2 7.921 CV 1
ASSI { 651}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HD21))
5.400 3.700 0.600 peak 651 spectrum 1 weight 0.10000E+01 volume 0.78183E-04 ppm1 3.871 ppm2 7.449 CV 1
ASSI { 654}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 12 and name HG1%)
5.100 3.300 0.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.10976E-03 ppm1 8.068 ppm2 0.681 CV 1
OR { 654}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 12 and name HG2%)
Contact the webmaster for help, if required. Saturday, May 11, 2024 11:48:31 AM GMT (wattos1)