NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
17357 |
2ck4   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HA ))
3.000 1.100 1.100 peak 1 spectrum 1 weight 0.11000E+01 volume 0.14136E-02 ppm1 9.547 ppm2 5.327 CV 1
ASSI { 1}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB1 ))
3.300 1.400 1.400 peak 1 spectrum 1 weight 0.11000E+01 volume 0.37636E-02 ppm1 9.547 ppm2 3.222 CV 1
ASSI { 2}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB2 ))
2.800 1.000 1.000 peak 2 spectrum 1 weight 0.11000E+01 volume 0.17617E-02 ppm1 9.549 ppm2 3.058 CV 1
ASSI { 3}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HA ))
2.300 0.700 0.700 peak 3 spectrum 1 weight 0.11000E+01 volume 0.80003E-02 ppm1 9.466 ppm2 4.359 CV 1
ASSI { 4}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB1 ))
3.900 1.900 1.900 peak 4 spectrum 1 weight 0.11000E+01 volume 0.73061E-03 ppm1 9.465 ppm2 3.083 CV 1
ASSI { 5}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB2 ))
3.500 1.600 1.600 peak 5 spectrum 1 weight 0.11000E+01 volume 0.82932E-03 ppm1 9.466 ppm2 2.769 CV 1
ASSI { 7}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB1 ))
3.500 1.600 1.600 peak 7 spectrum 1 weight 0.11000E+01 volume 0.15639E-02 ppm1 9.357 ppm2 3.065 CV 1
ASSI { 8}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB2 ))
2.700 0.900 0.900 peak 8 spectrum 1 weight 0.11000E+01 volume 0.27053E-02 ppm1 9.356 ppm2 2.655 CV 1
ASSI { 9}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA ))
3.100 1.200 1.200 peak 9 spectrum 1 weight 0.11000E+01 volume 0.12688E-02 ppm1 9.255 ppm2 4.501 CV 1
ASSI { 10}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB2 ))
2.600 0.800 0.800 peak 10 spectrum 1 weight 0.11000E+01 volume 0.26400E-02 ppm1 9.252 ppm2 1.806 CV 1
ASSI { 11}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HD1 ))
3.400 1.500 1.500 peak 11 spectrum 1 weight 0.11000E+01 volume 0.81419E-03 ppm1 9.256 ppm2 1.682 CV 1
OR { 11}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HD2 ))
ASSI { 12}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB1 ))
3.500 1.600 1.600 peak 12 spectrum 1 weight 0.11000E+01 volume 0.18368E-02 ppm1 9.254 ppm2 1.871 CV 1
ASSI { 13}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HG1 ))
3.300 1.400 1.400 peak 13 spectrum 1 weight 0.11000E+01 volume 0.13416E-02 ppm1 9.250 ppm2 1.466 CV 1
OR { 13}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HG2 ))
ASSI { 14}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
2.500 0.800 0.800 peak 14 spectrum 1 weight 0.11000E+01 volume 0.41887E-02 ppm1 9.229 ppm2 4.011 CV 1
ASSI { 15}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB2 ))
2.500 0.800 0.800 peak 15 spectrum 1 weight 0.11000E+01 volume 0.52400E-02 ppm1 9.229 ppm2 4.081 CV 1
OR { 15}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB1 ))
ASSI { 16}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
3.100 1.200 1.200 peak 16 spectrum 1 weight 0.11000E+01 volume 0.15401E-02 ppm1 9.018 ppm2 4.442 CV 1
ASSI { 17}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB1 ))
2.500 0.800 0.800 peak 17 spectrum 1 weight 0.11000E+01 volume 0.52907E-02 ppm1 9.019 ppm2 2.898 CV 1
OR { 17}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 18}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HA ))
2.700 0.900 0.900 peak 18 spectrum 1 weight 0.11000E+01 volume 0.28151E-02 ppm1 9.008 ppm2 4.226 CV 1
ASSI { 19}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB1 ))
2.300 0.700 0.700 peak 19 spectrum 1 weight 0.11000E+01 volume 0.56667E-02 ppm1 9.008 ppm2 1.936 CV 1
ASSI { 20}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
2.500 0.800 0.800 peak 20 spectrum 1 weight 0.11000E+01 volume 0.52168E-02 ppm1 9.007 ppm2 1.832 CV 1
ASSI { 21}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HD2 ))
3.500 1.500 1.500 peak 21 spectrum 1 weight 0.11000E+01 volume 0.21764E-02 ppm1 9.008 ppm2 1.646 CV 1
OR { 21}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HD1 ))
ASSI { 22}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG1 ))
3.900 1.900 1.900 peak 22 spectrum 1 weight 0.11000E+01 volume 0.12340E-02 ppm1 9.014 ppm2 1.466 CV 1
ASSI { 23}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG2 ))
5.000 3.200 1.000 peak 23 spectrum 1 weight 0.11000E+01 volume 0.34055E-03 ppm1 9.010 ppm2 1.373 CV 1
ASSI { 24}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HA ))
3.000 1.100 1.100 peak 24 spectrum 1 weight 0.11000E+01 volume 0.13690E-02 ppm1 8.839 ppm2 4.837 CV 1
ASSI { 25}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB1 ))
2.500 0.800 0.800 peak 25 spectrum 1 weight 0.11000E+01 volume 0.32872E-02 ppm1 8.841 ppm2 2.727 CV 1
ASSI { 26}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB2 ))
2.900 1.000 1.000 peak 26 spectrum 1 weight 0.11000E+01 volume 0.26044E-02 ppm1 8.841 ppm2 2.392 CV 1
ASSI { 27}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
2.500 0.800 0.800 peak 27 spectrum 1 weight 0.11000E+01 volume 0.46528E-02 ppm1 8.794 ppm2 4.597 CV 1
ASSI { 28}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB1 ))
2.600 0.800 0.800 peak 28 spectrum 1 weight 0.11000E+01 volume 0.40605E-02 ppm1 8.801 ppm2 1.668 CV 1
OR { 28}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB2 ))
ASSI { 30}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HG2 ))
3.700 1.700 1.700 peak 30 spectrum 1 weight 0.11000E+01 volume 0.66866E-03 ppm1 8.800 ppm2 1.240 CV 1
OR { 30}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HG1 ))
ASSI { 31}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HA ))
2.900 1.000 1.000 peak 31 spectrum 1 weight 0.11000E+01 volume 0.15969E-02 ppm1 8.707 ppm2 4.956 CV 1
ASSI { 32}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB ))
2.300 0.700 0.700 peak 32 spectrum 1 weight 0.11000E+01 volume 0.61176E-02 ppm1 8.708 ppm2 3.986 CV 1
ASSI { 33}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 36 and name HG2%)
3.800 1.800 1.800 peak 33 spectrum 1 weight 0.11000E+01 volume 0.11206E-02 ppm1 8.704 ppm2 1.399 CV 1
ASSI { 34}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HA ))
3.200 1.300 1.300 peak 34 spectrum 1 weight 0.11000E+01 volume 0.10589E-02 ppm1 8.680 ppm2 4.290 CV 1
ASSI { 35}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB ))
3.000 1.100 1.100 peak 35 spectrum 1 weight 0.11000E+01 volume 0.18320E-02 ppm1 8.688 ppm2 1.950 CV 1
ASSI { 36}
(( segid " " and resid 2 and name HN ))
( segid " " and resid 2 and name HG2%)
2.700 0.900 0.900 peak 36 spectrum 1 weight 0.11000E+01 volume 0.30369E-02 ppm1 8.684 ppm2 0.858 CV 1
ASSI { 37}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
2.800 1.000 1.000 peak 37 spectrum 1 weight 0.11000E+01 volume 0.24842E-02 ppm1 8.684 ppm2 4.771 CV 1
ASSI { 38}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB1 ))
3.000 1.100 1.100 peak 38 spectrum 1 weight 0.11000E+01 volume 0.21056E-02 ppm1 8.686 ppm2 2.906 CV 1
ASSI { 39}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB2 ))
2.700 0.900 0.900 peak 39 spectrum 1 weight 0.11000E+01 volume 0.33022E-02 ppm1 8.686 ppm2 2.604 CV 1
ASSI { 40}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HA ))
2.300 0.600 0.600 peak 40 spectrum 1 weight 0.11000E+01 volume 0.75230E-02 ppm1 8.623 ppm2 4.837 CV 1
ASSI { 41}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG2 ))
2.500 0.800 0.800 peak 41 spectrum 1 weight 0.11000E+01 volume 0.45874E-02 ppm1 8.612 ppm2 1.734 CV 1
OR { 41}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HG1 ))
ASSI { 42}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
2.500 0.800 0.800 peak 42 spectrum 1 weight 0.11000E+01 volume 0.42948E-02 ppm1 8.617 ppm2 4.082 CV 1
ASSI { 43}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HB2 ))
3.400 1.500 1.500 peak 43 spectrum 1 weight 0.11000E+01 volume 0.55562E-03 ppm1 8.626 ppm2 2.045 CV 1
ASSI { 44}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HB1 ))
3.800 1.800 1.800 peak 44 spectrum 1 weight 0.11000E+01 volume 0.11511E-02 ppm1 8.627 ppm2 2.216 CV 1
ASSI { 45}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HG1 ))
4.000 2.000 2.000 peak 45 spectrum 1 weight 0.11000E+01 volume 0.75023E-03 ppm1 8.626 ppm2 1.586 CV 1
ASSI { 46}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HG2 ))
2.900 2.900 3.100 peak 46 spectrum 1 weight 0.11000E+01 volume 0.19700E-02 ppm1 8.628 ppm2 1.149 CV 1
ASSI { 48}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB2 ))
2.600 0.800 0.800 peak 48 spectrum 1 weight 0.11000E+01 volume 0.39952E-02 ppm1 8.611 ppm2 1.932 CV 1
OR { 48}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB1 ))
ASSI { 49}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
2.900 1.000 1.000 peak 49 spectrum 1 weight 0.11000E+01 volume 0.14616E-02 ppm1 8.563 ppm2 3.990 CV 1
ASSI { 50}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG1 ))
2.900 1.100 1.100 peak 50 spectrum 1 weight 0.11000E+01 volume 0.23480E-02 ppm1 8.566 ppm2 1.779 CV 1
ASSI { 51}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB1 ))
2.900 1.100 1.100 peak 51 spectrum 1 weight 0.11000E+01 volume 0.15276E-02 ppm1 8.568 ppm2 1.367 CV 1
OR { 51}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 53}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB1 ))
3.200 1.300 1.300 peak 53 spectrum 1 weight 0.11000E+01 volume 0.17730E-02 ppm1 8.408 ppm2 1.822 CV 1
ASSI { 54}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB2 ))
2.200 0.600 0.600 peak 54 spectrum 1 weight 0.11000E+01 volume 0.68085E-02 ppm1 8.407 ppm2 1.718 CV 1
ASSI { 55}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HG2 ))
3.700 1.700 1.700 peak 55 spectrum 1 weight 0.11000E+01 volume 0.12003E-02 ppm1 8.403 ppm2 1.050 CV 1
ASSI { 56}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HG1 ))
3.900 1.900 1.900 peak 56 spectrum 1 weight 0.11000E+01 volume 0.12912E-02 ppm1 8.402 ppm2 1.151 CV 1
ASSI { 58}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB2 ))
3.200 1.300 1.300 peak 58 spectrum 1 weight 0.11000E+01 volume 0.26556E-02 ppm1 8.404 ppm2 1.271 CV 1
ASSI { 59}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
2.900 1.100 1.100 peak 59 spectrum 1 weight 0.11000E+01 volume 0.17313E-02 ppm1 8.408 ppm2 4.813 CV 1
ASSI { 61}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB ))
2.500 0.800 0.800 peak 61 spectrum 1 weight 0.11000E+01 volume 0.44703E-02 ppm1 8.375 ppm2 1.518 CV 1
ASSI { 63}
(( segid " " and resid 3 and name HN ))
( segid " " and resid 3 and name HG2%)
3.900 1.900 1.900 peak 63 spectrum 1 weight 0.11000E+01 volume 0.60315E-03 ppm1 8.376 ppm2 0.667 CV 1
ASSI { 64}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA1 ))
2.300 0.600 0.600 peak 64 spectrum 1 weight 0.11000E+01 volume 0.88237E-02 ppm1 8.351 ppm2 4.113 CV 1
OR { 64}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA2 ))
ASSI { 66}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HG2%)
3.200 1.300 1.300 peak 66 spectrum 1 weight 0.11000E+01 volume 0.12200E-02 ppm1 8.245 ppm2 0.754 CV 1
ASSI { 67}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
2.900 1.000 1.000 peak 67 spectrum 1 weight 0.11000E+01 volume 0.18671E-02 ppm1 8.246 ppm2 4.604 CV 1
ASSI { 68}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA ))
3.100 1.200 1.200 peak 68 spectrum 1 weight 0.11000E+01 volume 0.12650E-02 ppm1 8.174 ppm2 5.048 CV 1
ASSI { 69}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA ))
2.300 0.700 0.700 peak 69 spectrum 1 weight 0.11000E+01 volume 0.70325E-02 ppm1 8.142 ppm2 4.457 CV 1
ASSI { 70}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB ))
2.600 0.900 0.900 peak 70 spectrum 1 weight 0.11000E+01 volume 0.33890E-02 ppm1 8.118 ppm2 1.420 CV 1
ASSI { 71}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 6 and name HG2%)
4.000 2.000 2.000 peak 71 spectrum 1 weight 0.11000E+01 volume 0.36020E-03 ppm1 8.117 ppm2 0.899 CV 1
ASSI { 72}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA1 ))
3.000 1.100 1.100 peak 72 spectrum 1 weight 0.11000E+01 volume 0.29467E-02 ppm1 7.996 ppm2 4.148 CV 1
ASSI { 73}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA2 ))
2.200 2.200 3.800 peak 73 spectrum 1 weight 0.11000E+01 volume 0.77005E-02 ppm1 8.000 ppm2 3.844 CV 1
ASSI { 74}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA1 ))
2.800 1.000 1.000 peak 74 spectrum 1 weight 0.11000E+01 volume 0.21784E-02 ppm1 7.869 ppm2 3.812 CV 1
OR { 74}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA2 ))
ASSI { 75}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB1 ))
3.500 1.500 1.500 peak 75 spectrum 1 weight 0.11000E+01 volume 0.30502E-02 ppm1 9.254 ppm2 3.040 CV 1
ASSI { 76}
(( segid " " and resid 24 and name HE ))
(( segid " " and resid 24 and name HG2 ))
3.600 1.600 1.600 peak 76 spectrum 1 weight 0.11000E+01 volume 0.44978E-03 ppm1 6.777 ppm2 1.048 CV 1
ASSI { 78}
(( segid " " and resid 24 and name HE ))
(( segid " " and resid 24 and name HD1 ))
3.100 1.200 1.200 peak 78 spectrum 1 weight 0.11000E+01 volume 0.13828E-02 ppm1 6.781 ppm2 2.829 CV 1
OR { 78}
(( segid " " and resid 24 and name HE ))
(( segid " " and resid 24 and name HD2 ))
ASSI { 80}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
3.300 1.300 1.300 peak 80 spectrum 1 weight 0.11000E+01 volume 0.11965E-02 ppm1 7.363 ppm2 4.506 CV 1
ASSI { 81}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 21 and name HB% )
2.500 0.800 0.800 peak 81 spectrum 1 weight 0.11000E+01 volume 0.56938E-02 ppm1 7.361 ppm2 1.491 CV 1
ASSI { 84}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HG ))
3.300 1.300 1.300 peak 84 spectrum 1 weight 0.11000E+01 volume 0.22311E-02 ppm1 7.188 ppm2 1.650 CV 1
ASSI { 85}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB1 ))
2.500 0.800 0.800 peak 85 spectrum 1 weight 0.11000E+01 volume 0.41456E-02 ppm1 7.188 ppm2 1.830 CV 1
ASSI { 86}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB2 ))
2.500 0.800 0.800 peak 86 spectrum 1 weight 0.11000E+01 volume 0.36556E-02 ppm1 7.188 ppm2 1.725 CV 1
ASSI { 89}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB1 ))
2.900 1.100 1.100 peak 89 spectrum 1 weight 0.11000E+01 volume 0.19443E-02 ppm1 7.403 ppm2 2.581 CV 1
ASSI { 90}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB2 ))
2.500 0.800 0.800 peak 90 spectrum 1 weight 0.11000E+01 volume 0.49954E-02 ppm1 7.403 ppm2 2.500 CV 1
ASSI { 91}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HG1 ))
2.500 0.800 0.800 peak 91 spectrum 1 weight 0.11000E+01 volume 0.52089E-02 ppm1 7.404 ppm2 2.221 CV 1
OR { 91}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HG2 ))
ASSI { 92}
(( segid " " and resid 13 and name HE22))
(( segid " " and resid 13 and name HE21))
1.700 0.300 0.500 peak 92 spectrum 1 weight 0.11000E+01 volume 0.29689E-01 ppm1 7.041 ppm2 7.768 CV 1
ASSI { 94}
(( segid " " and resid 30 and name HD21))
(( segid " " and resid 30 and name HD22))
1.600 0.300 0.600 peak 94 spectrum 1 weight 0.11000E+01 volume 0.37862E-01 ppm1 7.580 ppm2 6.941 CV 1
ASSI { 97}
(( segid " " and resid 5 and name HD22))
(( segid " " and resid 5 and name HD21))
1.700 0.300 0.500 peak 97 spectrum 1 weight 0.11000E+01 volume 0.30850E-01 ppm1 6.836 ppm2 7.594 CV 1
ASSI { 98}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
3.100 1.200 1.200 peak 98 spectrum 1 weight 0.11000E+01 volume 0.14182E-02 ppm1 7.788 ppm2 4.418 CV 1
ASSI { 99}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB1 ))
3.100 1.200 1.200 peak 99 spectrum 1 weight 0.11000E+01 volume 0.42216E-02 ppm1 7.790 ppm2 3.018 CV 1
ASSI { 101}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA ))
3.000 1.100 1.100 peak 101 spectrum 1 weight 0.11000E+01 volume 0.15782E-02 ppm1 7.908 ppm2 4.668 CV 1
ASSI { 103}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB2 ))
3.900 1.900 1.900 peak 103 spectrum 1 weight 0.11000E+01 volume 0.59507E-03 ppm1 7.912 ppm2 2.718 CV 1
ASSI { 104}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.600 0.800 0.800 peak 104 spectrum 1 weight 0.11000E+01 volume 0.31360E-02 ppm1 8.015 ppm2 4.284 CV 1
ASSI { 105}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HG1 ))
3.000 1.100 1.100 peak 105 spectrum 1 weight 0.11000E+01 volume 0.40984E-02 ppm1 8.059 ppm2 1.755 CV 1
OR { 105}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HG2 ))
ASSI { 109}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HD2 ))
4.100 2.100 1.900 peak 109 spectrum 1 weight 0.11000E+01 volume 0.65068E-03 ppm1 8.058 ppm2 2.053 CV 1
OR { 109}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HD1 ))
ASSI { 110}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HE1 ))
3.800 1.800 1.800 peak 110 spectrum 1 weight 0.11000E+01 volume 0.12753E-02 ppm1 8.013 ppm2 3.016 CV 1
OR { 110}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HE2 ))
ASSI { 112}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
2.600 0.800 0.800 peak 112 spectrum 1 weight 0.11000E+01 volume 0.41777E-02 ppm1 8.088 ppm2 4.773 CV 1
ASSI { 114}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB2 ))
2.300 0.700 0.700 peak 114 spectrum 1 weight 0.11000E+01 volume 0.59472E-02 ppm1 8.089 ppm2 2.607 CV 1
ASSI { 115}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA ))
2.900 1.100 1.100 peak 115 spectrum 1 weight 0.11000E+01 volume 0.18528E-02 ppm1 8.118 ppm2 4.117 CV 1
ASSI { 116}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB2 ))
2.400 0.700 0.700 peak 116 spectrum 1 weight 0.11000E+01 volume 0.40870E-02 ppm1 8.175 ppm2 2.552 CV 1
ASSI { 117}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB1 ))
3.700 1.700 1.700 peak 117 spectrum 1 weight 0.11000E+01 volume 0.10982E-02 ppm1 8.176 ppm2 2.644 CV 1
ASSI { 118}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB ))
3.900 1.900 1.900 peak 118 spectrum 1 weight 0.11000E+01 volume 0.65583E-03 ppm1 8.244 ppm2 1.837 CV 1
ASSI { 120}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HD2 ))
5.100 3.200 0.900 peak 120 spectrum 1 weight 0.11000E+01 volume 0.24716E-03 ppm1 8.021 ppm2 1.662 CV 1
OR { 120}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HD1 ))
ASSI { 121}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HG1 ))
4.000 2.000 2.000 peak 121 spectrum 1 weight 0.11000E+01 volume 0.78490E-03 ppm1 8.019 ppm2 1.546 CV 1
ASSI { 124}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB2 ))
2.800 1.000 1.000 peak 124 spectrum 1 weight 0.11000E+01 volume 0.17793E-02 ppm1 7.697 ppm2 1.793 CV 1
ASSI { 125}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HD2 ))
4.600 2.700 1.400 peak 125 spectrum 1 weight 0.11000E+01 volume 0.17147E-03 ppm1 7.703 ppm2 1.573 CV 1
OR { 125}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HD1 ))
ASSI { 126}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HG12))
3.000 1.100 1.100 peak 126 spectrum 1 weight 0.11000E+01 volume 0.15373E-02 ppm1 8.382 ppm2 -0.104 CV 1
ASSI { 128}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB2 ))
3.500 1.500 1.500 peak 128 spectrum 1 weight 0.11000E+01 volume 0.41902E-03 ppm1 8.142 ppm2 3.163 CV 1
ASSI { 129}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HD2 ))
3.300 1.400 1.400 peak 129 spectrum 1 weight 0.11000E+01 volume 0.37089E-02 ppm1 8.405 ppm2 1.546 CV 1
OR { 129}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HD1 ))
ASSI { 130}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
3.000 1.100 1.100 peak 130 spectrum 1 weight 0.11000E+01 volume 0.16633E-02 ppm1 7.973 ppm2 4.892 CV 1
ASSI { 131}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB ))
4.500 2.500 1.500 peak 131 spectrum 1 weight 0.11000E+01 volume 0.23006E-03 ppm1 7.970 ppm2 2.178 CV 1
ASSI { 132}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 10 and name HD1%)
3.900 1.900 1.900 peak 132 spectrum 1 weight 0.11000E+01 volume 0.12619E-02 ppm1 7.975 ppm2 0.952 CV 1
ASSI { 133}
(( segid " " and resid 13 and name HE22))
(( segid " " and resid 13 and name HB1 ))
4.800 2.800 1.200 peak 133 spectrum 1 weight 0.11000E+01 volume 0.34333E-03 ppm1 7.047 ppm2 2.589 CV 1
ASSI { 135}
(( segid " " and resid 13 and name HE21))
(( segid " " and resid 13 and name HB1 ))
2.700 0.900 0.900 peak 135 spectrum 1 weight 0.11000E+01 volume 0.23103E-02 ppm1 7.764 ppm2 2.586 CV 1
ASSI { 136}
(( segid " " and resid 13 and name HE21))
(( segid " " and resid 13 and name HG2 ))
3.100 1.200 1.200 peak 136 spectrum 1 weight 0.11000E+01 volume 0.12465E-02 ppm1 7.762 ppm2 2.223 CV 1
OR { 136}
(( segid " " and resid 13 and name HE21))
(( segid " " and resid 13 and name HG1 ))
ASSI { 137}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HN ))
2.400 0.700 0.700 peak 137 spectrum 1 weight 0.11000E+01 volume 0.42374E-02 ppm1 8.090 ppm2 7.410 CV 1
ASSI { 140}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HG1 ))
4.300 2.400 1.700 peak 140 spectrum 1 weight 0.11000E+01 volume 0.23123E-03 ppm1 8.089 ppm2 2.219 CV 1
OR { 140}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HG2 ))
ASSI { 141}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB2 ))
3.600 1.600 1.600 peak 141 spectrum 1 weight 0.11000E+01 volume 0.67057E-03 ppm1 8.087 ppm2 2.505 CV 1
ASSI { 143}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HN ))
2.300 0.600 0.600 peak 143 spectrum 1 weight 0.11000E+01 volume 0.58469E-02 ppm1 8.089 ppm2 7.192 CV 1
ASSI { 144}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
2.700 0.900 0.900 peak 144 spectrum 1 weight 0.11000E+01 volume 0.22248E-02 ppm1 7.188 ppm2 4.100 CV 1
ASSI { 145}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB2 ))
4.000 2.000 2.000 peak 145 spectrum 1 weight 0.11000E+01 volume 0.30379E-03 ppm1 7.189 ppm2 2.605 CV 1
ASSI { 146}
( segid " " and resid 15 and name HD2%)
(( segid " " and resid 15 and name HA ))
2.900 1.000 1.000 peak 146 spectrum 1 weight 0.11000E+01 volume 0.40086E-02 ppm1 0.863 ppm2 4.112 CV 1
ASSI { 147}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
3.000 1.100 1.100 peak 147 spectrum 1 weight 0.11000E+01 volume 0.12253E-02 ppm1 7.187 ppm2 9.016 CV 1
ASSI { 150}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 15 and name HD1%)
4.700 2.800 1.300 peak 150 spectrum 1 weight 0.11000E+01 volume 0.28465E-03 ppm1 9.010 ppm2 1.010 CV 1
ASSI { 153}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HD1 ))
1.800 0.400 0.400 peak 153 spectrum 1 weight 0.11000E+01 volume 0.12673E-01 ppm1 3.510 ppm2 3.652 CV 1
ASSI { 155}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HB1 ))
3.100 1.200 1.200 peak 155 spectrum 1 weight 0.11000E+01 volume 0.35533E-02 ppm1 3.509 ppm2 2.330 CV 1
ASSI { 156}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HG1 ))
2.900 1.000 1.000 peak 156 spectrum 1 weight 0.11000E+01 volume 0.17529E-02 ppm1 3.506 ppm2 2.087 CV 1
OR { 156}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 158}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 16 and name HB1 ))
2.300 0.600 0.600 peak 158 spectrum 1 weight 0.11000E+01 volume 0.25130E-02 ppm1 3.655 ppm2 1.932 CV 1
ASSI { 161}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 16 and name HB2 ))
4.800 2.800 1.200 peak 161 spectrum 1 weight 0.11000E+01 volume 0.62904E-03 ppm1 3.656 ppm2 1.841 CV 1
ASSI { 163}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HD1 ))
2.900 1.000 1.000 peak 163 spectrum 1 weight 0.11000E+01 volume 0.21368E-02 ppm1 9.007 ppm2 3.657 CV 1
ASSI { 164}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HD2 ))
2.500 0.800 0.800 peak 164 spectrum 1 weight 0.11000E+01 volume 0.38376E-02 ppm1 9.008 ppm2 3.505 CV 1
ASSI { 171}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HN ))
2.800 0.900 0.900 peak 171 spectrum 1 weight 0.11000E+01 volume 0.23278E-02 ppm1 8.016 ppm2 9.032 CV 1
ASSI { 173}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
3.100 1.200 1.200 peak 173 spectrum 1 weight 0.11000E+01 volume 0.15201E-02 ppm1 9.020 ppm2 4.285 CV 1
ASSI { 174}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
2.900 1.000 1.000 peak 174 spectrum 1 weight 0.11000E+01 volume 0.19664E-02 ppm1 9.018 ppm2 7.374 CV 1
ASSI { 176}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
3.700 1.700 1.700 peak 176 spectrum 1 weight 0.11000E+01 volume 0.60229E-03 ppm1 7.366 ppm2 4.433 CV 1
ASSI { 178}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB1 ))
3.300 1.300 1.300 peak 178 spectrum 1 weight 0.11000E+01 volume 0.11377E-02 ppm1 7.362 ppm2 2.898 CV 1
OR { 178}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB2 ))
ASSI { 180}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
2.500 0.800 0.800 peak 180 spectrum 1 weight 0.11000E+01 volume 0.38753E-02 ppm1 8.001 ppm2 7.368 CV 1
ASSI { 181}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
3.200 1.300 1.300 peak 181 spectrum 1 weight 0.11000E+01 volume 0.12560E-02 ppm1 7.997 ppm2 4.502 CV 1
ASSI { 184}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
3.700 1.700 1.700 peak 184 spectrum 1 weight 0.11000E+01 volume 0.52579E-03 ppm1 7.404 ppm2 4.076 CV 1
ASSI { 188}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
3.500 1.500 1.500 peak 188 spectrum 1 weight 0.11000E+01 volume 0.67218E-03 ppm1 8.615 ppm2 4.006 CV 1
ASSI { 191}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
2.200 0.600 0.600 peak 191 spectrum 1 weight 0.11000E+01 volume 0.81882E-02 ppm1 9.227 ppm2 4.887 CV 1
ASSI { 193}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 10 and name HG2%)
4.000 2.000 2.000 peak 193 spectrum 1 weight 0.11000E+01 volume 0.65716E-03 ppm1 9.231 ppm2 1.173 CV 1
ASSI { 195}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HN ))
2.200 0.600 0.600 peak 195 spectrum 1 weight 0.11000E+01 volume 0.91877E-02 ppm1 7.977 ppm2 9.259 CV 1
ASSI { 197}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB2 ))
3.200 1.300 1.300 peak 197 spectrum 1 weight 0.11000E+01 volume 0.12189E-02 ppm1 7.973 ppm2 1.811 CV 1
ASSI { 198}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
2.300 0.600 0.600 peak 198 spectrum 1 weight 0.11000E+01 volume 0.71942E-02 ppm1 9.254 ppm2 4.670 CV 1
ASSI { 199}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB2 ))
3.600 1.600 1.600 peak 199 spectrum 1 weight 0.11000E+01 volume 0.12860E-02 ppm1 9.253 ppm2 2.723 CV 1
ASSI { 200}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 32 and name HA ))
3.200 1.300 1.300 peak 200 spectrum 1 weight 0.11000E+01 volume 0.11165E-02 ppm1 7.913 ppm2 5.402 CV 1
ASSI { 201}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
2.100 0.600 0.600 peak 201 spectrum 1 weight 0.11000E+01 volume 0.90261E-02 ppm1 7.913 ppm2 4.813 CV 1
ASSI { 202}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HG1 ))
3.900 1.900 1.900 peak 202 spectrum 1 weight 0.11000E+01 volume 0.17778E-02 ppm1 8.410 ppm2 1.410 CV 1
ASSI { 203}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HG1 ))
5.600 3.900 0.400 peak 203 spectrum 1 weight 0.11000E+01 volume 0.17424E-03 ppm1 7.916 ppm2 1.420 CV 1
ASSI { 205}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB1 ))
3.600 1.600 1.600 peak 205 spectrum 1 weight 0.11000E+01 volume 0.12725E-02 ppm1 7.911 ppm2 1.833 CV 1
ASSI { 206}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HG12))
2.400 0.700 0.700 peak 206 spectrum 1 weight 0.11000E+01 volume 0.34873E-02 ppm1 8.244 ppm2 1.040 CV 1
ASSI { 207}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HG2 ))
3.300 1.400 1.400 peak 207 spectrum 1 weight 0.11000E+01 volume 0.27131E-02 ppm1 8.408 ppm2 0.903 CV 1
ASSI { 208}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HA ))
2.300 0.700 0.700 peak 208 spectrum 1 weight 0.11000E+01 volume 0.57268E-02 ppm1 8.706 ppm2 5.332 CV 1
ASSI { 209}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HB1 ))
2.600 0.900 0.900 peak 209 spectrum 1 weight 0.11000E+01 volume 0.26747E-02 ppm1 8.705 ppm2 3.076 CV 1
ASSI { 210}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HB2 ))
3.300 1.400 1.400 peak 210 spectrum 1 weight 0.11000E+01 volume 0.21441E-02 ppm1 8.708 ppm2 2.655 CV 1
ASSI { 211}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HA ))
2.100 0.600 0.600 peak 211 spectrum 1 weight 0.11000E+01 volume 0.11095E-01 ppm1 9.548 ppm2 5.045 CV 1
ASSI { 212}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HB1 ))
3.500 1.500 1.500 peak 212 spectrum 1 weight 0.11000E+01 volume 0.13132E-02 ppm1 9.547 ppm2 2.643 CV 1
ASSI { 214}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA ))
2.300 0.700 0.700 peak 214 spectrum 1 weight 0.11000E+01 volume 0.70346E-02 ppm1 8.175 ppm2 5.401 CV 1
ASSI { 215}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB1 ))
2.800 1.000 1.000 peak 215 spectrum 1 weight 0.11000E+01 volume 0.17424E-02 ppm1 8.176 ppm2 1.971 CV 1
ASSI { 216}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB2 ))
4.400 2.400 1.600 peak 216 spectrum 1 weight 0.11000E+01 volume 0.33848E-03 ppm1 8.177 ppm2 1.800 CV 1
ASSI { 217}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HG2 ))
3.700 1.700 1.700 peak 217 spectrum 1 weight 0.11000E+01 volume 0.11699E-02 ppm1 8.177 ppm2 1.420 CV 1
OR { 217}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HG1 ))
ASSI { 221}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 31 and name HN ))
3.000 1.100 1.100 peak 221 spectrum 1 weight 0.11000E+01 volume 0.17732E-02 ppm1 9.472 ppm2 8.358 CV 1
ASSI { 223}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HA ))
2.800 1.000 1.000 peak 223 spectrum 1 weight 0.11000E+01 volume 0.29122E-02 ppm1 8.350 ppm2 4.361 CV 1
ASSI { 224}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA ))
2.200 0.600 0.600 peak 224 spectrum 1 weight 0.11000E+01 volume 0.82262E-02 ppm1 9.467 ppm2 4.627 CV 1
ASSI { 225}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HG1 ))
4.500 2.500 1.500 peak 225 spectrum 1 weight 0.11000E+01 volume 0.76425E-03 ppm1 9.465 ppm2 1.586 CV 1
ASSI { 226}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HB2 ))
4.500 2.500 1.500 peak 226 spectrum 1 weight 0.11000E+01 volume 0.48744E-03 ppm1 9.468 ppm2 2.039 CV 1
ASSI { 227}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB2 ))
5.300 3.500 0.700 peak 227 spectrum 1 weight 0.11000E+01 volume 0.16983E-03 ppm1 8.626 ppm2 2.392 CV 1
ASSI { 228}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB1 ))
5.200 3.400 0.800 peak 228 spectrum 1 weight 0.11000E+01 volume 0.16568E-03 ppm1 8.628 ppm2 2.725 CV 1
ASSI { 231}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HE2 ))
3.900 1.900 1.900 peak 231 spectrum 1 weight 0.11000E+01 volume 0.83933E-03 ppm1 9.549 ppm2 7.569 CV 1
ASSI { 233}
(( segid " " and resid 34 and name HD1 ))
(( segid " " and resid 34 and name HB1 ))
4.700 2.800 1.300 peak 233 spectrum 1 weight 0.11000E+01 volume 0.10312E-03 ppm1 8.615 ppm2 3.227 CV 1
ASSI { 234}
(( segid " " and resid 34 and name HD1 ))
(( segid " " and resid 34 and name HE2 ))
4.200 2.200 1.800 peak 234 spectrum 1 weight 0.11000E+01 volume 0.48119E-03 ppm1 8.623 ppm2 7.573 CV 1
ASSI { 239}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 28 and name HA ))
3.600 1.600 1.600 peak 239 spectrum 1 weight 0.11000E+01 volume 0.65286E-03 ppm1 9.549 ppm2 4.839 CV 1
ASSI { 240}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 27 and name HN ))
2.900 1.100 1.100 peak 240 spectrum 1 weight 0.11000E+01 volume 0.20557E-02 ppm1 9.547 ppm2 8.806 CV 1
ASSI { 243}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB2 ))
3.000 1.100 1.100 peak 243 spectrum 1 weight 0.11000E+01 volume 0.23937E-02 ppm1 8.838 ppm2 1.668 CV 1
OR { 243}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB1 ))
ASSI { 244}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HD2 ))
3.800 1.800 1.800 peak 244 spectrum 1 weight 0.11000E+01 volume 0.41094E-03 ppm1 8.839 ppm2 1.334 CV 1
OR { 244}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HD1 ))
ASSI { 245}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA2 ))
2.800 1.000 1.000 peak 245 spectrum 1 weight 0.11000E+01 volume 0.20138E-02 ppm1 8.800 ppm2 3.814 CV 1
OR { 245}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA1 ))
ASSI { 247}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 35 and name HA ))
3.600 1.600 1.600 peak 247 spectrum 1 weight 0.11000E+01 volume 0.10006E-02 ppm1 8.799 ppm2 5.342 CV 1
ASSI { 249}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB2 ))
3.300 1.300 1.300 peak 249 spectrum 1 weight 0.11000E+01 volume 0.37345E-02 ppm1 7.870 ppm2 3.164 CV 1
ASSI { 250}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB1 ))
2.400 2.400 3.600 peak 250 spectrum 1 weight 0.11000E+01 volume 0.45861E-02 ppm1 7.871 ppm2 3.248 CV 1
ASSI { 251}
( segid " " and resid 25 and name HD% )
(( segid " " and resid 25 and name HB1 ))
3.000 1.100 1.100 peak 251 spectrum 1 weight 0.11000E+01 volume 0.17465E-02 ppm1 7.181 ppm2 3.246 CV 1
ASSI { 254}
( segid " " and resid 25 and name HE% )
( segid " " and resid 25 and name HD% )
2.100 0.500 0.500 peak 254 spectrum 1 weight 0.11000E+01 volume 0.10294E-01 ppm1 7.332 ppm2 7.182 CV 1
ASSI { 260}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA ))
2.500 2.500 3.500 peak 260 spectrum 1 weight 0.11000E+01 volume 0.54078E-02 ppm1 8.142 ppm2 4.405 CV 1
ASSI { 263}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB1 ))
2.800 2.800 3.200 peak 263 spectrum 1 weight 0.11000E+01 volume 0.21848E-02 ppm1 8.142 ppm2 1.353 CV 1
ASSI { 264}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB2 ))
3.400 1.500 1.500 peak 264 spectrum 1 weight 0.11000E+01 volume 0.19114E-02 ppm1 8.142 ppm2 1.280 CV 1
ASSI { 267}
(( segid " " and resid 5 and name HD21))
(( segid " " and resid 5 and name HB1 ))
3.300 1.400 1.400 peak 267 spectrum 1 weight 0.11000E+01 volume 0.82794E-03 ppm1 7.586 ppm2 2.906 CV 1
ASSI { 268}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 2 and name HN ))
3.200 1.200 1.200 peak 268 spectrum 1 weight 0.11000E+01 volume 0.12234E-02 ppm1 9.354 ppm2 8.692 CV 1
ASSI { 270}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
2.100 0.600 0.600 peak 270 spectrum 1 weight 0.11000E+01 volume 0.10720E-01 ppm1 8.407 ppm2 4.119 CV 1
ASSI { 271}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA ))
2.400 0.700 0.700 peak 271 spectrum 1 weight 0.11000E+01 volume 0.52119E-02 ppm1 8.121 ppm2 4.778 CV 1
ASSI { 272}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
2.400 0.700 0.700 peak 272 spectrum 1 weight 0.11000E+01 volume 0.58018E-02 ppm1 8.686 ppm2 4.605 CV 1
ASSI { 273}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB ))
2.600 0.900 0.900 peak 273 spectrum 1 weight 0.11000E+01 volume 0.40078E-02 ppm1 8.688 ppm2 1.839 CV 1
ASSI { 274}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 4 and name HG2%)
4.300 2.300 1.700 peak 274 spectrum 1 weight 0.11000E+01 volume 0.78262E-03 ppm1 8.685 ppm2 0.751 CV 1
ASSI { 275}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
2.200 0.600 0.600 peak 275 spectrum 1 weight 0.11000E+01 volume 0.79789E-02 ppm1 8.246 ppm2 4.235 CV 1
ASSI { 276}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HA ))
2.300 0.700 0.700 peak 276 spectrum 1 weight 0.11000E+01 volume 0.74829E-02 ppm1 8.376 ppm2 4.288 CV 1
ASSI { 277}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB ))
3.700 1.700 1.700 peak 277 spectrum 1 weight 0.11000E+01 volume 0.10167E-02 ppm1 8.374 ppm2 1.939 CV 1
ASSI { 278}
(( segid " " and resid 3 and name HN ))
( segid " " and resid 2 and name HG1%)
3.300 1.400 1.400 peak 278 spectrum 1 weight 0.11000E+01 volume 0.18064E-02 ppm1 8.378 ppm2 0.847 CV 1
ASSI { 280}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HD2 ))
2.900 2.900 3.100 peak 280 spectrum 1 weight 0.11000E+01 volume 0.12093E-02 ppm1 8.057 ppm2 3.851 CV 1
ASSI { 281}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HA1 ))
2.400 0.700 0.700 peak 281 spectrum 1 weight 0.11000E+01 volume 0.64712E-02 ppm1 8.680 ppm2 3.961 CV 1
OR { 281}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HA2 ))
ASSI { 285}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HB2 ))
3.700 1.700 1.700 peak 285 spectrum 1 weight 0.11000E+01 volume 0.70809E-03 ppm1 3.870 ppm2 2.337 CV 1
OR { 285}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HB1 ))
ASSI { 287}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 3 and name HA ))
3.800 1.800 1.800 peak 287 spectrum 1 weight 0.11000E+01 volume 0.42972E-03 ppm1 9.357 ppm2 4.234 CV 1
ASSI { 288}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 34 and name HA ))
4.500 2.600 1.500 peak 288 spectrum 1 weight 0.11000E+01 volume 0.27029E-03 ppm1 8.246 ppm2 5.325 CV 1
ASSI { 289}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 3 and name HD1%)
3.500 3.500 2.500 peak 289 spectrum 1 weight 0.11000E+01 volume 0.12381E-02 ppm1 8.799 ppm2 0.736 CV 1
ASSI { 290}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG2 ))
4.000 2.000 2.000 peak 290 spectrum 1 weight 0.11000E+01 volume 0.66202E-03 ppm1 7.403 ppm2 1.732 CV 1
OR { 290}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG1 ))
ASSI { 291}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 2 and name HB ))
3.400 1.500 1.500 peak 291 spectrum 1 weight 0.11000E+01 volume 0.78186E-03 ppm1 9.359 ppm2 1.953 CV 1
ASSI { 292}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB1 ))
4.300 2.300 1.700 peak 292 spectrum 1 weight 0.11000E+01 volume 0.33970E-03 ppm1 9.356 ppm2 3.222 CV 1
ASSI { 293}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 28 and name HB1 ))
3.100 1.200 1.200 peak 293 spectrum 1 weight 0.11000E+01 volume 0.16073E-02 ppm1 9.229 ppm2 2.725 CV 1
ASSI { 294}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 28 and name HB2 ))
4.000 2.000 2.000 peak 294 spectrum 1 weight 0.11000E+01 volume 0.41418E-03 ppm1 9.228 ppm2 2.394 CV 1
ASSI { 295}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HG11))
4.100 2.100 1.900 peak 295 spectrum 1 weight 0.11000E+01 volume 0.65550E-03 ppm1 9.230 ppm2 1.318 CV 1
OR { 295}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HG12))
ASSI { 296}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 2 and name HG2%)
3.600 1.600 1.600 peak 296 spectrum 1 weight 0.11000E+01 volume 0.69621E-03 ppm1 9.359 ppm2 0.859 CV 1
OR { 296}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 2 and name HG1%)
ASSI { 297}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 27 and name HB1 ))
3.400 1.500 1.500 peak 297 spectrum 1 weight 0.11000E+01 volume 0.10055E-02 ppm1 9.548 ppm2 1.668 CV 1
OR { 297}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 27 and name HB2 ))
ASSI { 299}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 11 and name HB1 ))
3.500 1.500 1.500 peak 299 spectrum 1 weight 0.11000E+01 volume 0.11337E-02 ppm1 8.838 ppm2 4.089 CV 1
OR { 299}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 300}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 11 and name HA ))
2.600 0.900 0.900 peak 300 spectrum 1 weight 0.11000E+01 volume 0.36007E-02 ppm1 8.838 ppm2 4.000 CV 1
ASSI { 302}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 29 and name HG2 ))
3.900 3.900 2.100 peak 302 spectrum 1 weight 0.11000E+01 volume 0.42292E-03 ppm1 8.800 ppm2 1.146 CV 1
ASSI { 303}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 34 and name HB1 ))
3.800 1.800 1.800 peak 303 spectrum 1 weight 0.11000E+01 volume 0.62492E-03 ppm1 8.799 ppm2 3.222 CV 1
ASSI { 304}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 34 and name HB2 ))
3.300 1.300 1.300 peak 304 spectrum 1 weight 0.11000E+01 volume 0.87463E-03 ppm1 8.801 ppm2 3.070 CV 1
ASSI { 306}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 14 and name HB2 ))
3.900 1.900 1.900 peak 306 spectrum 1 weight 0.11000E+01 volume 0.44399E-03 ppm1 8.799 ppm2 2.613 CV 1
ASSI { 307}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 37 and name HG1 ))
3.900 1.900 1.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.58517E-03 ppm1 8.706 ppm2 2.055 CV 1
OR { 307}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 37 and name HG2 ))
ASSI { 308}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 3 and name HG2%)
4.100 4.100 1.900 peak 308 spectrum 1 weight 0.11000E+01 volume 0.43946E-03 ppm1 8.687 ppm2 0.662 CV 1
ASSI { 309}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 10 and name HD1%)
3.400 1.500 1.500 peak 309 spectrum 1 weight 0.11000E+01 volume 0.13222E-02 ppm1 8.614 ppm2 0.941 CV 1
ASSI { 310}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 3 and name HA ))
3.100 1.200 1.200 peak 310 spectrum 1 weight 0.11000E+01 volume 0.13155E-02 ppm1 5.320 ppm2 4.234 CV 1
ASSI { 312}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 38 and name HB2 ))
3.500 1.600 1.600 peak 312 spectrum 1 weight 0.11000E+01 volume 0.50848E-03 ppm1 8.570 ppm2 2.339 CV 1
ASSI { 314}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 38 and name HA ))
4.300 2.300 1.700 peak 314 spectrum 1 weight 0.11000E+01 volume 0.39574E-03 ppm1 8.568 ppm2 4.616 CV 1
ASSI { 315}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 38 and name HD1 ))
2.500 0.800 0.800 peak 315 spectrum 1 weight 0.11000E+01 volume 0.74677E-02 ppm1 8.401 ppm2 2.053 CV 1
OR { 315}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 38 and name HD2 ))
ASSI { 316}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 38 and name HB1 ))
4.600 2.600 1.400 peak 316 spectrum 1 weight 0.11000E+01 volume 0.42204E-03 ppm1 8.403 ppm2 2.394 CV 1
ASSI { 318}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HG11))
3.300 1.400 1.400 peak 318 spectrum 1 weight 0.11000E+01 volume 0.16744E-02 ppm1 8.245 ppm2 1.186 CV 1
ASSI { 319}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 25 and name HD% )
3.700 1.700 1.700 peak 319 spectrum 1 weight 0.11000E+01 volume 0.86917E-03 ppm1 8.145 ppm2 7.188 CV 1
ASSI { 320}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 4 and name HG11))
2.900 1.000 1.000 peak 320 spectrum 1 weight 0.11000E+01 volume 0.15775E-02 ppm1 8.117 ppm2 1.185 CV 1
ASSI { 322}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 21 and name HB% )
3.400 1.400 1.400 peak 322 spectrum 1 weight 0.11000E+01 volume 0.14629E-02 ppm1 8.000 ppm2 1.490 CV 1
ASSI { 323}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 22 and name HA1 ))
3.700 1.700 1.700 peak 323 spectrum 1 weight 0.11000E+01 volume 0.51497E-03 ppm1 8.052 ppm2 4.157 CV 1
ASSI { 324}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 19 and name HA ))
3.600 1.600 1.600 peak 324 spectrum 1 weight 0.11000E+01 volume 0.16199E-02 ppm1 8.056 ppm2 4.288 CV 1
ASSI { 325}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG12))
3.200 1.200 1.200 peak 325 spectrum 1 weight 0.11000E+01 volume 0.10844E-02 ppm1 7.973 ppm2 1.317 CV 1
OR { 325}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HG11))
ASSI { 326}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 13 and name HB2 ))
4.000 2.000 2.000 peak 326 spectrum 1 weight 0.11000E+01 volume 0.40803E-03 ppm1 7.975 ppm2 2.502 CV 1
ASSI { 329}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 8 and name HA ))
3.100 1.200 1.200 peak 329 spectrum 1 weight 0.11000E+01 volume 0.14156E-02 ppm1 7.971 ppm2 4.663 CV 1
ASSI { 330}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 31 and name HA2 ))
3.400 1.500 1.500 peak 330 spectrum 1 weight 0.11000E+01 volume 0.87138E-03 ppm1 7.912 ppm2 4.115 CV 1
OR { 330}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 31 and name HA1 ))
ASSI { 334}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 15 and name HD2%)
4.500 2.500 1.500 peak 334 spectrum 1 weight 0.11000E+01 volume 0.25397E-03 ppm1 7.869 ppm2 0.861 CV 1
ASSI { 335}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 18 and name HN ))
4.500 2.500 1.500 peak 335 spectrum 1 weight 0.11000E+01 volume 0.15068E-03 ppm1 9.015 ppm2 7.797 CV 1
ASSI { 340}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 4 and name HD1%)
3.800 3.800 2.200 peak 340 spectrum 1 weight 0.11000E+01 volume 0.21743E-03 ppm1 7.791 ppm2 0.620 CV 1
ASSI { 341}
(( segid " " and resid 34 and name HE2 ))
(( segid " " and resid 29 and name HG2 ))
3.300 3.300 2.700 peak 341 spectrum 1 weight 0.11000E+01 volume 0.56126E-03 ppm1 7.566 ppm2 1.144 CV 1
ASSI { 342}
(( segid " " and resid 34 and name HE2 ))
(( segid " " and resid 32 and name HD2 ))
4.400 2.400 1.600 peak 342 spectrum 1 weight 0.11000E+01 volume 0.19952E-03 ppm1 7.566 ppm2 1.574 CV 1
OR { 342}
(( segid " " and resid 34 and name HE2 ))
(( segid " " and resid 32 and name HD1 ))
ASSI { 343}
(( segid " " and resid 34 and name HE2 ))
(( segid " " and resid 32 and name HB2 ))
5.300 3.400 0.700 peak 343 spectrum 1 weight 0.11000E+01 volume 0.52052E-04 ppm1 7.570 ppm2 1.797 CV 1
ASSI { 344}
(( segid " " and resid 34 and name HE2 ))
( segid " " and resid 3 and name HG2%)
3.900 1.900 1.900 peak 344 spectrum 1 weight 0.11000E+01 volume 0.39670E-03 ppm1 7.569 ppm2 0.669 CV 1
ASSI { 346}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 10 and name HG2%)
3.500 3.500 2.500 peak 346 spectrum 1 weight 0.11000E+01 volume 0.34327E-03 ppm1 7.406 ppm2 1.188 CV 1
ASSI { 347}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 10 and name HG11))
2.700 0.900 0.900 peak 347 spectrum 1 weight 0.11000E+01 volume 0.24846E-02 ppm1 7.403 ppm2 1.318 CV 1
OR { 347}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 10 and name HG12))
ASSI { 348}
(( segid " " and resid 34 and name HE2 ))
(( segid " " and resid 3 and name HG12))
4.300 2.300 1.700 peak 348 spectrum 1 weight 0.11000E+01 volume 0.33069E-03 ppm1 7.568 ppm2 -0.106 CV 1
ASSI { 350}
(( segid " " and resid 13 and name HE22))
(( segid " " and resid 9 and name HN ))
4.300 2.300 1.700 peak 350 spectrum 1 weight 0.11000E+01 volume 0.25413E-03 ppm1 7.049 ppm2 9.259 CV 1
ASSI { 353}
( segid " " and resid 25 and name HE% )
( segid " " and resid 36 and name HG2%)
4.300 2.300 1.700 peak 353 spectrum 1 weight 0.11000E+01 volume 0.29720E-03 ppm1 7.332 ppm2 1.399 CV 1
ASSI { 354}
( segid " " and resid 25 and name HD% )
(( segid " " and resid 36 and name HB ))
2.600 0.800 0.800 peak 354 spectrum 1 weight 0.11000E+01 volume 0.19769E-02 ppm1 7.182 ppm2 3.988 CV 1
ASSI { 355}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 17 and name HD2 ))
3.800 1.800 1.800 peak 355 spectrum 1 weight 0.11000E+01 volume 0.32112E-03 ppm1 7.187 ppm2 3.507 CV 1
ASSI { 359}
( segid " " and resid 25 and name HD% )
(( segid " " and resid 24 and name HB2 ))
5.200 3.400 0.800 peak 359 spectrum 1 weight 0.11000E+01 volume 0.17588E-03 ppm1 7.179 ppm2 1.273 CV 1
ASSI { 360}
(( segid " " and resid 24 and name HE ))
( segid " " and resid 36 and name HG2%)
4.000 2.000 2.000 peak 360 spectrum 1 weight 0.11000E+01 volume 0.32756E-03 ppm1 6.776 ppm2 1.396 CV 1
ASSI { 366}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HB2 ))
4.300 2.300 1.700 peak 366 spectrum 1 weight 0.11000E+01 volume 0.70975E-03 ppm1 5.331 ppm2 2.662 CV 1
ASSI { 369}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 3 and name HG12))
3.200 1.200 1.200 peak 369 spectrum 1 weight 0.11000E+01 volume 0.23725E-02 ppm1 0.689 ppm2 -0.101 CV 1
ASSI { 370}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HG11))
3.200 1.300 1.300 peak 370 spectrum 1 weight 0.11000E+01 volume 0.28595E-02 ppm1 8.379 ppm2 1.236 CV 1
ASSI { 371}
(( segid " " and resid 3 and name HG12))
(( segid " " and resid 3 and name HG11))
1.900 0.400 0.400 peak 371 spectrum 1 weight 0.11000E+01 volume 0.12357E-01 ppm1 -0.089 ppm2 1.232 CV 1
ASSI { 377}
(( segid " " and resid 3 and name HG12))
(( segid " " and resid 3 and name HB ))
3.300 1.300 1.300 peak 377 spectrum 1 weight 0.11000E+01 volume 0.78829E-03 ppm1 -0.103 ppm2 1.519 CV 1
ASSI { 378}
(( segid " " and resid 3 and name HG12))
(( segid " " and resid 3 and name HA ))
3.300 1.300 1.300 peak 378 spectrum 1 weight 0.11000E+01 volume 0.14888E-02 ppm1 -0.088 ppm2 4.234 CV 1
ASSI { 381}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 3 and name HA ))
3.000 1.100 1.100 peak 381 spectrum 1 weight 0.11000E+01 volume 0.18007E-02 ppm1 0.681 ppm2 4.237 CV 1
ASSI { 383}
(( segid " " and resid 3 and name HG11))
(( segid " " and resid 3 and name HA ))
4.100 2.100 1.900 peak 383 spectrum 1 weight 0.11000E+01 volume 0.36598E-03 ppm1 1.238 ppm2 4.235 CV 1
ASSI { 384}
(( segid " " and resid 3 and name HB ))
( segid " " and resid 3 and name HD1%)
3.100 1.200 1.200 peak 384 spectrum 1 weight 0.11000E+01 volume 0.23353E-02 ppm1 1.538 ppm2 0.740 CV 1
ASSI { 385}
(( segid " " and resid 3 and name HB ))
( segid " " and resid 3 and name HG2%)
2.700 0.900 0.900 peak 385 spectrum 1 weight 0.11000E+01 volume 0.28099E-02 ppm1 1.538 ppm2 0.673 CV 1
ASSI { 393}
(( segid " " and resid 10 and name HG12))
( segid " " and resid 10 and name HD1%)
2.200 0.600 0.600 peak 393 spectrum 1 weight 0.11000E+01 volume 0.80003E-02 ppm1 1.344 ppm2 0.938 CV 1
OR { 393}
(( segid " " and resid 10 and name HG11))
( segid " " and resid 10 and name HD1%)
ASSI { 395}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HG1 ))
1.600 0.300 0.600 peak 395 spectrum 1 weight 0.11000E+01 volume 0.28882E-01 ppm1 1.057 ppm2 1.168 CV 1
ASSI { 398}
( segid " " and resid 10 and name HG2%)
(( segid " " and resid 10 and name HG12))
1.700 1.700 4.300 peak 398 spectrum 1 weight 0.11000E+01 volume 0.59479E-01 ppm1 1.189 ppm2 1.314 CV 1
OR { 398}
( segid " " and resid 10 and name HG2%)
(( segid " " and resid 10 and name HG11))
ASSI { 402}
(( segid " " and resid 6 and name HB ))
( segid " " and resid 6 and name HG2%)
2.300 0.700 0.700 peak 402 spectrum 1 weight 0.11000E+01 volume 0.66024E-02 ppm1 1.444 ppm2 0.908 CV 1
ASSI { 404}
( segid " " and resid 4 and name HD1%)
( segid " " and resid 21 and name HB% )
3.700 3.700 2.300 peak 404 spectrum 1 weight 0.11000E+01 volume 0.56993E-03 ppm1 0.638 ppm2 1.490 CV 1
ASSI { 405}
( segid " " and resid 21 and name HB% )
( segid " " and resid 4 and name HG2%)
2.400 2.400 3.600 peak 405 spectrum 1 weight 0.11000E+01 volume 0.32602E-02 ppm1 1.509 ppm2 0.751 CV 1
ASSI { 408}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 4 and name HD1%)
4.800 2.900 1.200 peak 408 spectrum 1 weight 0.11000E+01 volume 0.37944E-03 ppm1 8.688 ppm2 0.624 CV 1
ASSI { 409}
(( segid " " and resid 17 and name HB2 ))
( segid " " and resid 4 and name HD1%)
3.000 3.000 3.000 peak 409 spectrum 1 weight 0.11000E+01 volume 0.13861E-02 ppm1 1.665 ppm2 0.618 CV 1
ASSI { 414}
(( segid " " and resid 7 and name HG1 ))
(( segid " " and resid 7 and name HD1 ))
1.800 0.400 0.400 peak 414 spectrum 1 weight 0.11000E+01 volume 0.29035E-01 ppm1 1.435 ppm2 1.551 CV 1
OR { 414}
(( segid " " and resid 7 and name HG1 ))
(( segid " " and resid 7 and name HD2 ))
ASSI { 415}
(( segid " " and resid 4 and name HB ))
( segid " " and resid 4 and name HD1%)
2.800 1.000 1.000 peak 415 spectrum 1 weight 0.11000E+01 volume 0.23417E-02 ppm1 1.848 ppm2 0.617 CV 1
ASSI { 417}
(( segid " " and resid 4 and name HB ))
( segid " " and resid 4 and name HG2%)
2.400 0.700 0.700 peak 417 spectrum 1 weight 0.11000E+01 volume 0.55887E-02 ppm1 1.843 ppm2 0.756 CV 1
ASSI { 420}
(( segid " " and resid 32 and name HB1 ))
( segid " " and resid 3 and name HG2%)
3.600 1.600 1.600 peak 420 spectrum 1 weight 0.11000E+01 volume 0.48742E-03 ppm1 1.986 ppm2 0.663 CV 1
ASSI { 423}
(( segid " " and resid 2 and name HB ))
( segid " " and resid 2 and name HG1%)
2.300 0.600 0.600 peak 423 spectrum 1 weight 0.11000E+01 volume 0.82655E-02 ppm1 1.960 ppm2 0.853 CV 1
OR { 423}
(( segid " " and resid 2 and name HB ))
( segid " " and resid 2 and name HG2%)
ASSI { 425}
(( segid " " and resid 15 and name HB1 ))
( segid " " and resid 15 and name HD2%)
2.800 1.000 1.000 peak 425 spectrum 1 weight 0.11000E+01 volume 0.20667E-02 ppm1 1.841 ppm2 0.857 CV 1
ASSI { 427}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 15 and name HD2%)
3.000 1.100 1.100 peak 427 spectrum 1 weight 0.11000E+01 volume 0.24354E-02 ppm1 1.752 ppm2 0.858 CV 1
ASSI { 428}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HG2 ))
4.600 2.700 1.400 peak 428 spectrum 1 weight 0.11000E+01 volume 0.23488E-03 ppm1 1.368 ppm2 1.047 CV 1
OR { 428}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 24 and name HG2 ))
ASSI { 430}
( segid " " and resid 10 and name HD1%)
(( segid " " and resid 12 and name HG2 ))
5.200 3.300 0.800 peak 430 spectrum 1 weight 0.11000E+01 volume 0.10150E-03 ppm1 0.942 ppm2 1.730 CV 1
OR { 430}
( segid " " and resid 10 and name HD1%)
(( segid " " and resid 12 and name HG1 ))
ASSI { 431}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 15 and name HD1%)
2.700 0.900 0.900 peak 431 spectrum 1 weight 0.11000E+01 volume 0.23817E-02 ppm1 1.736 ppm2 1.014 CV 1
ASSI { 435}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HG11))
2.300 0.700 0.700 peak 435 spectrum 1 weight 0.11000E+01 volume 0.46300E-02 ppm1 1.848 ppm2 1.187 CV 1
ASSI { 438}
(( segid " " and resid 6 and name HB ))
( segid " " and resid 4 and name HD1%)
3.100 1.200 1.200 peak 438 spectrum 1 weight 0.11000E+01 volume 0.15911E-02 ppm1 1.447 ppm2 0.618 CV 1
ASSI { 442}
(( segid " " and resid 9 and name HG1 ))
(( segid " " and resid 9 and name HD1 ))
2.000 0.500 0.500 peak 442 spectrum 1 weight 0.11000E+01 volume 0.19969E-01 ppm1 1.440 ppm2 1.673 CV 1
OR { 442}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HD2 ))
OR { 442}
(( segid " " and resid 9 and name HG1 ))
(( segid " " and resid 9 and name HD2 ))
OR { 442}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HD1 ))
ASSI { 443}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 7 and name HG1 ))
2.000 0.500 0.500 peak 443 spectrum 1 weight 0.11000E+01 volume 0.16052E-01 ppm1 1.837 ppm2 1.407 CV 1
ASSI { 447}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 19 and name HB1 ))
4.000 2.000 2.000 peak 447 spectrum 1 weight 0.11000E+01 volume 0.27652E-03 ppm1 1.538 ppm2 1.941 CV 1
OR { 447}
(( segid " " and resid 19 and name HG1 ))
(( segid " " and resid 19 and name HB2 ))
ASSI { 449}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 9 and name HB2 ))
3.700 1.700 1.700 peak 449 spectrum 1 weight 0.11000E+01 volume 0.85930E-03 ppm1 1.557 ppm2 1.814 CV 1
OR { 449}
(( segid " " and resid 7 and name HD1 ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 451}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HB2 ))
4.900 3.000 1.100 peak 451 spectrum 1 weight 0.10000E+01 volume 0.61663E-04 ppm1 1.354 ppm2 1.816 CV 1
ASSI { 453}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HG2 ))
1.800 0.400 0.400 peak 453 spectrum 1 weight 0.11000E+01 volume 0.39077E-01 ppm1 1.943 ppm2 1.733 CV 1
OR { 453}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HG1 ))
OR { 453}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HG2 ))
OR { 453}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HG1 ))
ASSI { 457}
(( segid " " and resid 38 and name HD2 ))
(( segid " " and resid 38 and name HG1 ))
1.900 0.400 0.400 peak 457 spectrum 1 weight 0.11000E+01 volume 0.24390E-01 ppm1 2.061 ppm2 1.753 CV 1
OR { 457}
(( segid " " and resid 38 and name HD1 ))
(( segid " " and resid 38 and name HG2 ))
OR { 457}
(( segid " " and resid 38 and name HD1 ))
(( segid " " and resid 38 and name HG1 ))
OR { 457}
(( segid " " and resid 38 and name HD2 ))
(( segid " " and resid 38 and name HG2 ))
ASSI { 458}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 10 and name HB ))
2.900 1.000 1.000 peak 458 spectrum 1 weight 0.11000E+01 volume 0.15066E-02 ppm1 8.613 ppm2 2.178 CV 1
ASSI { 459}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 10 and name HG11))
3.200 1.200 1.200 peak 459 spectrum 1 weight 0.11000E+01 volume 0.19214E-02 ppm1 8.612 ppm2 1.318 CV 1
OR { 459}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 10 and name HG12))
ASSI { 460}
( segid " " and resid 4 and name HD1%)
(( segid " " and resid 17 and name HB1 ))
3.700 3.700 2.300 peak 460 spectrum 1 weight 0.11000E+01 volume 0.89128E-03 ppm1 0.631 ppm2 2.313 CV 1
ASSI { 468}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HA ))
2.700 0.900 0.900 peak 468 spectrum 1 weight 0.11000E+01 volume 0.32359E-02 ppm1 0.767 ppm2 4.606 CV 1
ASSI { 473}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 37 and name HD2 ))
6.000 4.500 0.000 peak 473 spectrum 1 weight 0.11000E+01 volume 0.98819E-04 ppm1 0.878 ppm2 3.858 CV 1
ASSI { 475}
(( segid " " and resid 11 and name HB1 ))
( segid " " and resid 15 and name HD1%)
3.900 1.900 1.900 peak 475 spectrum 1 weight 0.11000E+01 volume 0.44667E-03 ppm1 4.085 ppm2 1.010 CV 1
OR { 475}
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 15 and name HD1%)
ASSI { 478}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 10 and name HA ))
2.500 0.800 0.800 peak 478 spectrum 1 weight 0.11000E+01 volume 0.46970E-02 ppm1 2.185 ppm2 4.887 CV 1
ASSI { 479}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 36 and name HA ))
3.300 1.300 1.300 peak 479 spectrum 1 weight 0.11000E+01 volume 0.99213E-03 ppm1 1.411 ppm2 4.951 CV 1
ASSI { 480}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 36 and name HA ))
2.700 0.900 0.900 peak 480 spectrum 1 weight 0.11000E+01 volume 0.36927E-02 ppm1 3.863 ppm2 4.952 CV 1
ASSI { 484}
(( segid " " and resid 32 and name HD2 ))
(( segid " " and resid 32 and name HA ))
4.300 2.300 1.700 peak 484 spectrum 1 weight 0.11000E+01 volume 0.35711E-03 ppm1 1.573 ppm2 5.402 CV 1
OR { 484}
(( segid " " and resid 32 and name HD1 ))
(( segid " " and resid 32 and name HA ))
ASSI { 487}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HA ))
3.200 1.300 1.300 peak 487 spectrum 1 weight 0.11000E+01 volume 0.14848E-02 ppm1 2.664 ppm2 5.330 CV 1
ASSI { 488}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HA ))
2.600 0.900 0.900 peak 488 spectrum 1 weight 0.11000E+01 volume 0.45110E-02 ppm1 3.072 ppm2 5.327 CV 1
ASSI { 490}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 35 and name HA ))
3.600 1.700 1.700 peak 490 spectrum 1 weight 0.11000E+01 volume 0.69144E-03 ppm1 3.255 ppm2 5.326 CV 1
ASSI { 493}
(( segid " " and resid 10 and name HB ))
( segid " " and resid 10 and name HD1%)
2.200 2.200 3.800 peak 493 spectrum 1 weight 0.11000E+01 volume 0.11884E-01 ppm1 2.184 ppm2 0.952 CV 1
ASSI { 495}
( segid " " and resid 10 and name HG2%)
(( segid " " and resid 13 and name HG1 ))
4.400 2.400 1.600 peak 495 spectrum 1 weight 0.11000E+01 volume 0.69973E-03 ppm1 1.177 ppm2 2.217 CV 1
OR { 495}
( segid " " and resid 10 and name HG2%)
(( segid " " and resid 13 and name HG2 ))
ASSI { 497}
(( segid " " and resid 13 and name HG1 ))
(( segid " " and resid 10 and name HG11))
2.400 0.700 0.700 peak 497 spectrum 1 weight 0.11000E+01 volume 0.49984E-02 ppm1 2.222 ppm2 1.321 CV 1
OR { 497}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 10 and name HG11))
OR { 497}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 10 and name HG12))
ASSI { 498}
(( segid " " and resid 29 and name HB1 ))
(( segid " " and resid 29 and name HG1 ))
3.200 1.300 1.300 peak 498 spectrum 1 weight 0.11000E+01 volume 0.12391E-02 ppm1 2.223 ppm2 1.581 CV 1
ASSI { 501}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HB2 ))
1.800 0.400 0.400 peak 501 spectrum 1 weight 0.11000E+01 volume 0.18404E-01 ppm1 2.320 ppm2 1.652 CV 1
ASSI { 504}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HG1 ))
2.400 0.700 0.700 peak 504 spectrum 1 weight 0.11000E+01 volume 0.59271E-02 ppm1 2.337 ppm2 1.751 CV 1
OR { 504}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HG2 ))
ASSI { 513}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 4 and name HG11))
2.600 0.900 0.900 peak 513 spectrum 1 weight 0.11000E+01 volume 0.31880E-02 ppm1 2.556 ppm2 1.185 CV 1
ASSI { 514}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB2 ))
2.300 0.700 0.700 peak 514 spectrum 1 weight 0.11000E+01 volume 0.79008E-02 ppm1 2.104 ppm2 1.663 CV 1
OR { 514}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 515}
(( segid " " and resid 38 and name HB1 ))
(( segid " " and resid 38 and name HG1 ))
2.400 0.700 0.700 peak 515 spectrum 1 weight 0.10000E+01 volume 0.56309E-02 ppm1 2.421 ppm2 1.752 CV 1
OR { 515}
(( segid " " and resid 38 and name HB1 ))
(( segid " " and resid 38 and name HG2 ))
ASSI { 517}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HG1 ))
1.800 0.400 0.400 peak 517 spectrum 1 weight 0.11000E+01 volume 0.28611E-01 ppm1 2.511 ppm2 2.217 CV 1
OR { 517}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HG2 ))
ASSI { 519}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HB1 ))
1.900 0.400 0.400 peak 519 spectrum 1 weight 0.11000E+01 volume 0.27586E-01 ppm1 2.226 ppm2 2.592 CV 1
OR { 519}
(( segid " " and resid 13 and name HG1 ))
(( segid " " and resid 13 and name HB1 ))
ASSI { 522}
(( segid " " and resid 33 and name HB1 ))
( segid " " and resid 4 and name HD1%)
3.700 1.700 1.700 peak 522 spectrum 1 weight 0.11000E+01 volume 0.92858E-03 ppm1 2.653 ppm2 0.618 CV 1
ASSI { 524}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 4 and name HG12))
4.000 2.000 2.000 peak 524 spectrum 1 weight 0.11000E+01 volume 0.94750E-03 ppm1 2.647 ppm2 1.038 CV 1
ASSI { 527}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 4 and name HG11))
4.100 2.100 1.900 peak 527 spectrum 1 weight 0.11000E+01 volume 0.12235E-02 ppm1 2.650 ppm2 1.185 CV 1
ASSI { 528}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 6 and name HB ))
3.300 1.400 1.400 peak 528 spectrum 1 weight 0.11000E+01 volume 0.18564E-02 ppm1 2.652 ppm2 1.424 CV 1
ASSI { 529}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HB1 ))
1.600 0.300 0.600 peak 529 spectrum 1 weight 0.11000E+01 volume 0.26024E-01 ppm1 2.399 ppm2 2.727 CV 1
ASSI { 532}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HD1 ))
3.100 1.200 1.200 peak 532 spectrum 1 weight 0.11000E+01 volume 0.13387E-02 ppm1 1.058 ppm2 2.834 CV 1
OR { 532}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HD2 ))
ASSI { 533}
(( segid " " and resid 24 and name HD1 ))
(( segid " " and resid 24 and name HG1 ))
2.800 1.000 1.000 peak 533 spectrum 1 weight 0.11000E+01 volume 0.20252E-02 ppm1 2.846 ppm2 1.151 CV 1
OR { 533}
(( segid " " and resid 24 and name HD2 ))
(( segid " " and resid 24 and name HG1 ))
ASSI { 536}
(( segid " " and resid 24 and name HD2 ))
(( segid " " and resid 24 and name HB2 ))
3.000 1.100 1.100 peak 536 spectrum 1 weight 0.11000E+01 volume 0.12865E-02 ppm1 2.838 ppm2 1.274 CV 1
OR { 536}
(( segid " " and resid 24 and name HD1 ))
(( segid " " and resid 24 and name HB2 ))
ASSI { 537}
(( segid " " and resid 24 and name HD2 ))
(( segid " " and resid 24 and name HB1 ))
3.000 1.100 1.100 peak 537 spectrum 1 weight 0.11000E+01 volume 0.18621E-02 ppm1 2.840 ppm2 1.352 CV 1
OR { 537}
(( segid " " and resid 24 and name HD1 ))
(( segid " " and resid 24 and name HB1 ))
ASSI { 542}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 16 and name HD1 ))
2.600 0.900 0.900 peak 542 spectrum 1 weight 0.11000E+01 volume 0.41062E-02 ppm1 2.902 ppm2 1.623 CV 1
OR { 542}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 16 and name HD2 ))
OR { 542}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 16 and name HD2 ))
ASSI { 543}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HE1 ))
3.300 1.300 1.300 peak 543 spectrum 1 weight 0.11000E+01 volume 0.17998E-02 ppm1 1.646 ppm2 2.908 CV 1
OR { 543}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HE2 ))
OR { 543}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HE2 ))
OR { 543}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HE1 ))
ASSI { 545}
(( segid " " and resid 9 and name HE1 ))
(( segid " " and resid 9 and name HD2 ))
2.200 0.600 0.600 peak 545 spectrum 1 weight 0.11000E+01 volume 0.11044E-01 ppm1 2.981 ppm2 1.699 CV 1
OR { 545}
(( segid " " and resid 9 and name HE2 ))
(( segid " " and resid 9 and name HD1 ))
OR { 545}
(( segid " " and resid 9 and name HE2 ))
(( segid " " and resid 9 and name HD2 ))
OR { 545}
(( segid " " and resid 9 and name HE1 ))
(( segid " " and resid 9 and name HD1 ))
ASSI { 548}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 10 and name HB ))
2.700 2.700 3.300 peak 548 spectrum 1 weight 0.10000E+01 volume 0.18795E-02 ppm1 2.413 ppm2 2.182 CV 1
ASSI { 555}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HG1 ))
2.500 0.800 0.800 peak 555 spectrum 1 weight 0.11000E+01 volume 0.44793E-02 ppm1 3.233 ppm2 1.734 CV 1
OR { 555}
(( segid " " and resid 12 and name HD1 ))
(( segid " " and resid 12 and name HG1 ))
OR { 555}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HG2 ))
OR { 555}
(( segid " " and resid 12 and name HD1 ))
(( segid " " and resid 12 and name HG2 ))
ASSI { 556}
(( segid " " and resid 12 and name HD1 ))
(( segid " " and resid 12 and name HB1 ))
3.700 1.700 1.700 peak 556 spectrum 1 weight 0.11000E+01 volume 0.53187E-03 ppm1 3.239 ppm2 1.933 CV 1
OR { 556}
(( segid " " and resid 12 and name HD1 ))
(( segid " " and resid 12 and name HB2 ))
OR { 556}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HB1 ))
OR { 556}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 560}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HB1 ))
1.700 0.300 0.500 peak 560 spectrum 1 weight 0.11000E+01 volume 0.27503E-01 ppm1 3.059 ppm2 3.220 CV 1
ASSI { 566}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HD1 ))
2.700 0.900 0.900 peak 566 spectrum 1 weight 0.11000E+01 volume 0.23357E-02 ppm1 2.095 ppm2 3.653 CV 1
OR { 566}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HD1 ))
ASSI { 567}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HD1 ))
3.400 1.400 1.400 peak 567 spectrum 1 weight 0.11000E+01 volume 0.12125E-02 ppm1 2.342 ppm2 3.654 CV 1
ASSI { 573}
(( segid " " and resid 26 and name HA1 ))
(( segid " " and resid 14 and name HB2 ))
3.500 1.500 1.500 peak 573 spectrum 1 weight 0.11000E+01 volume 0.82089E-03 ppm1 3.814 ppm2 2.607 CV 1
OR { 573}
(( segid " " and resid 26 and name HA2 ))
(( segid " " and resid 14 and name HB2 ))
ASSI { 575}
(( segid " " and resid 26 and name HA1 ))
(( segid " " and resid 14 and name HB1 ))
3.100 1.200 1.200 peak 575 spectrum 1 weight 0.11000E+01 volume 0.14011E-02 ppm1 3.814 ppm2 3.089 CV 1
OR { 575}
(( segid " " and resid 26 and name HA2 ))
(( segid " " and resid 14 and name HB1 ))
ASSI { 577}
(( segid " " and resid 37 and name HG2 ))
(( segid " " and resid 37 and name HD2 ))
2.300 0.700 0.700 peak 577 spectrum 1 weight 0.11000E+01 volume 0.67790E-02 ppm1 2.059 ppm2 3.865 CV 1
OR { 577}
(( segid " " and resid 37 and name HG1 ))
(( segid " " and resid 37 and name HD2 ))
ASSI { 579}
(( segid " " and resid 37 and name HG1 ))
(( segid " " and resid 37 and name HD1 ))
2.400 0.700 0.700 peak 579 spectrum 1 weight 0.11000E+01 volume 0.49923E-02 ppm1 2.062 ppm2 3.911 CV 1
OR { 579}
(( segid " " and resid 37 and name HG2 ))
(( segid " " and resid 37 and name HD1 ))
ASSI { 580}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 23 and name HA ))
4.400 2.400 1.600 peak 580 spectrum 1 weight 0.11000E+01 volume 0.52628E-03 ppm1 1.056 ppm2 3.990 CV 1
ASSI { 581}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 23 and name HA ))
5.300 3.500 0.700 peak 581 spectrum 1 weight 0.11000E+01 volume 0.41587E-03 ppm1 1.294 ppm2 3.990 CV 1
ASSI { 582}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 23 and name HA ))
2.900 2.900 3.100 peak 582 spectrum 1 weight 0.11000E+01 volume 0.26909E-02 ppm1 1.412 ppm2 3.986 CV 1
ASSI { 583}
(( segid " " and resid 1 and name HA1 ))
( segid " " and resid 36 and name HG2%)
3.200 3.200 2.800 peak 583 spectrum 1 weight 0.11000E+01 volume 0.18165E-02 ppm1 3.974 ppm2 1.404 CV 1
OR { 583}
(( segid " " and resid 1 and name HA2 ))
( segid " " and resid 36 and name HG2%)
ASSI { 584}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 37 and name HD1 ))
3.900 1.900 1.900 peak 584 spectrum 1 weight 0.11000E+01 volume 0.13689E-02 ppm1 1.412 ppm2 3.920 CV 1
ASSI { 594}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 36 and name HB ))
2.900 1.100 1.100 peak 594 spectrum 1 weight 0.11000E+01 volume 0.63150E-03 ppm1 3.171 ppm2 3.983 CV 1
ASSI { 598}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 15 and name HB2 ))
2.900 1.000 1.000 peak 598 spectrum 1 weight 0.11000E+01 volume 0.17759E-02 ppm1 4.087 ppm2 1.722 CV 1
OR { 598}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 15 and name HB2 ))
ASSI { 599}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HA ))
3.300 1.400 1.400 peak 599 spectrum 1 weight 0.10000E+01 volume 0.92865E-03 ppm1 1.937 ppm2 4.083 CV 1
OR { 599}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HA ))
ASSI { 602}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 28 and name HB2 ))
5.100 3.200 0.900 peak 602 spectrum 1 weight 0.11000E+01 volume 0.21851E-03 ppm1 4.082 ppm2 2.391 CV 1
OR { 602}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 605}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HB2 ))
4.100 2.100 1.900 peak 605 spectrum 1 weight 0.11000E+01 volume 0.67226E-03 ppm1 4.084 ppm2 1.933 CV 1
OR { 605}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HB1 ))
OR { 605}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 12 and name HB2 ))
ASSI { 608}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 6 and name HB ))
3.700 1.700 1.700 peak 608 spectrum 1 weight 0.11000E+01 volume 0.55736E-03 ppm1 4.114 ppm2 1.427 CV 1
ASSI { 609}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 22 and name HA1 ))
5.000 3.100 1.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.25885E-03 ppm1 1.260 ppm2 4.143 CV 1
ASSI { 611}
(( segid " " and resid 22 and name HA2 ))
(( segid " " and resid 22 and name HA1 ))
1.800 0.400 0.400 peak 611 spectrum 1 weight 0.11000E+01 volume 0.15930E-01 ppm1 3.854 ppm2 4.151 CV 1
ASSI { 612}
(( segid " " and resid 7 and name HG1 ))
(( segid " " and resid 7 and name HA ))
4.300 2.300 1.700 peak 612 spectrum 1 weight 0.11000E+01 volume 0.47943E-03 ppm1 1.425 ppm2 4.814 CV 1
ASSI { 613}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HA ))
4.100 2.100 1.900 peak 613 spectrum 1 weight 0.11000E+01 volume 0.39508E-03 ppm1 1.559 ppm2 4.815 CV 1
OR { 613}
(( segid " " and resid 7 and name HD1 ))
(( segid " " and resid 7 and name HA ))
ASSI { 614}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB2 ))
3.100 1.200 1.200 peak 614 spectrum 1 weight 0.11000E+01 volume 0.99648E-03 ppm1 4.821 ppm2 1.709 CV 1
ASSI { 617}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HA ))
2.500 0.800 0.800 peak 617 spectrum 1 weight 0.11000E+01 volume 0.28558E-02 ppm1 2.398 ppm2 4.835 CV 1
ASSI { 618}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 28 and name HA ))
3.200 1.200 1.200 peak 618 spectrum 1 weight 0.11000E+01 volume 0.20075E-02 ppm1 2.738 ppm2 4.852 CV 1
ASSI { 620}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 27 and name HA ))
4.400 2.400 1.600 peak 620 spectrum 1 weight 0.11000E+01 volume 0.29467E-03 ppm1 4.009 ppm2 4.601 CV 1
ASSI { 623}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 8 and name HA ))
3.700 1.700 1.700 peak 623 spectrum 1 weight 0.11000E+01 volume 0.51241E-02 ppm1 2.723 ppm2 4.671 CV 1
ASSI { 624}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HA ))
2.800 1.000 1.000 peak 624 spectrum 1 weight 0.11000E+01 volume 0.36514E-02 ppm1 2.610 ppm2 4.780 CV 1
ASSI { 625}
(( segid " " and resid 37 and name HD2 ))
( segid " " and resid 36 and name HG2%)
5.200 3.400 0.800 peak 625 spectrum 1 weight 0.11000E+01 volume 0.41738E-04 ppm1 3.860 ppm2 1.400 CV 1
ASSI { 626}
(( segid " " and resid 1 and name HA2 ))
( segid " " and resid 2 and name HG2%)
4.900 3.000 1.100 peak 626 spectrum 1 weight 0.11000E+01 volume 0.25076E-03 ppm1 3.961 ppm2 0.854 CV 1
OR { 626}
(( segid " " and resid 1 and name HA1 ))
( segid " " and resid 2 and name HG2%)
ASSI { 629}
(( segid " " and resid 24 and name HG1 ))
(( segid " " and resid 38 and name HA ))
4.200 2.200 1.800 peak 629 spectrum 1 weight 0.11000E+01 volume 0.12804E-02 ppm1 1.154 ppm2 4.624 CV 1
ASSI { 631}
(( segid " " and resid 29 and name HG1 ))
(( segid " " and resid 29 and name HA ))
3.300 1.400 1.400 peak 631 spectrum 1 weight 0.11000E+01 volume 0.11208E-02 ppm1 1.605 ppm2 4.615 CV 1
OR { 631}
(( segid " " and resid 29 and name HG2 ))
(( segid " " and resid 29 and name HA ))
ASSI { 634}
(( segid " " and resid 38 and name HG2 ))
(( segid " " and resid 38 and name HA ))
4.100 2.100 1.900 peak 634 spectrum 1 weight 0.11000E+01 volume 0.24797E-03 ppm1 1.765 ppm2 4.614 CV 1
OR { 634}
(( segid " " and resid 38 and name HG1 ))
(( segid " " and resid 38 and name HA ))
ASSI { 636}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HA ))
3.000 1.100 1.100 peak 636 spectrum 1 weight 0.11000E+01 volume 0.27399E-02 ppm1 2.056 ppm2 4.616 CV 1
ASSI { 639}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 27 and name HA ))
4.900 2.900 1.100 peak 639 spectrum 1 weight 0.11000E+01 volume 0.22868E-03 ppm1 3.156 ppm2 4.587 CV 1
ASSI { 641}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 21 and name HA ))
2.400 0.700 0.700 peak 641 spectrum 1 weight 0.11000E+01 volume 0.65749E-02 ppm1 1.501 ppm2 4.506 CV 1
ASSI { 643}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HA ))
3.400 1.400 1.400 peak 643 spectrum 1 weight 0.11000E+01 volume 0.11262E-02 ppm1 1.823 ppm2 4.479 CV 1
ASSI { 645}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 24 and name HA ))
4.000 2.000 2.000 peak 645 spectrum 1 weight 0.11000E+01 volume 0.60698E-03 ppm1 1.055 ppm2 4.412 CV 1
ASSI { 646}
(( segid " " and resid 24 and name HG1 ))
(( segid " " and resid 24 and name HA ))
3.300 1.300 1.300 peak 646 spectrum 1 weight 0.11000E+01 volume 0.11253E-02 ppm1 1.165 ppm2 4.411 CV 1
ASSI { 657}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG2 ))
4.500 2.500 1.500 peak 657 spectrum 1 weight 0.11000E+01 volume 0.38458E-03 ppm1 4.267 ppm2 2.082 CV 1
OR { 657}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 658}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 16 and name HB1 ))
3.400 1.500 1.500 peak 658 spectrum 1 weight 0.11000E+01 volume 0.12851E-02 ppm1 4.260 ppm2 1.939 CV 1
ASSI { 659}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 3 and name HA ))
4.500 2.500 1.500 peak 659 spectrum 1 weight 0.10000E+01 volume 0.21326E-03 ppm1 1.985 ppm2 4.225 CV 1
ASSI { 660}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
4.200 2.200 1.800 peak 660 spectrum 1 weight 0.11000E+01 volume 0.37622E-03 ppm1 4.260 ppm2 1.663 CV 1
ASSI { 661}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 2 and name HA ))
4.400 2.500 1.600 peak 661 spectrum 1 weight 0.11000E+01 volume 0.78228E-03 ppm1 1.538 ppm2 4.277 CV 1
ASSI { 665}
(( segid " " and resid 37 and name HG1 ))
(( segid " " and resid 37 and name HA ))
3.200 1.300 1.300 peak 665 spectrum 1 weight 0.11000E+01 volume 0.15436E-02 ppm1 2.044 ppm2 4.465 CV 1
OR { 665}
(( segid " " and resid 37 and name HG2 ))
(( segid " " and resid 37 and name HA ))
ASSI { 667}
(( segid " " and resid 29 and name HB1 ))
(( segid " " and resid 29 and name HA ))
3.800 1.800 1.800 peak 667 spectrum 1 weight 0.11000E+01 volume 0.34364E-03 ppm1 2.231 ppm2 4.637 CV 1
ASSI { 668}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HA ))
2.600 0.800 0.800 peak 668 spectrum 1 weight 0.11000E+01 volume 0.44958E-02 ppm1 2.414 ppm2 4.427 CV 1
ASSI { 671}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HA ))
2.400 0.700 0.700 peak 671 spectrum 1 weight 0.11000E+01 volume 0.52579E-02 ppm1 2.312 ppm2 4.268 CV 1
ASSI { 672}
(( segid " " and resid 13 and name HG1 ))
(( segid " " and resid 13 and name HA ))
2.700 0.900 0.900 peak 672 spectrum 1 weight 0.11000E+01 volume 0.43367E-02 ppm1 2.229 ppm2 4.177 CV 1
OR { 672}
(( segid " " and resid 13 and name HG2 ))
(( segid " " and resid 13 and name HA ))
ASSI { 674}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 14 and name HB2 ))
6.000 5.900 0.000 peak 674 spectrum 1 weight 0.11000E+01 volume 0.32456E-04 ppm1 3.650 ppm2 2.616 CV 1
ASSI { 675}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 18 and name HB2 ))
1.500 0.300 0.700 peak 675 spectrum 1 weight 0.11000E+01 volume 0.24507E-01 ppm1 3.021 ppm2 2.401 CV 1
ASSI { 678}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HA ))
2.800 1.000 1.000 peak 678 spectrum 1 weight 0.11000E+01 volume 0.28989E-02 ppm1 2.518 ppm2 4.174 CV 1
ASSI { 680}
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 13 and name HA ))
2.700 0.900 0.900 peak 680 spectrum 1 weight 0.11000E+01 volume 0.30065E-02 ppm1 2.594 ppm2 4.178 CV 1
ASSI { 682}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HA ))
3.000 1.100 1.100 peak 682 spectrum 1 weight 0.11000E+01 volume 0.21902E-02 ppm1 2.773 ppm2 4.361 CV 1
ASSI { 684}
(( segid " " and resid 30 and name HB1 ))
(( segid " " and resid 30 and name HA ))
2.800 1.000 1.000 peak 684 spectrum 1 weight 0.11000E+01 volume 0.27507E-02 ppm1 3.096 ppm2 4.363 CV 1
ASSI { 686}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 18 and name HA ))
3.000 1.100 1.100 peak 686 spectrum 1 weight 0.11000E+01 volume 0.13222E-02 ppm1 3.024 ppm2 4.419 CV 1
ASSI { 688}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
2.900 1.100 1.100 peak 688 spectrum 1 weight 0.11000E+01 volume 0.21699E-02 ppm1 4.446 ppm2 2.903 CV 1
OR { 688}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB1 ))
ASSI { 690}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HA ))
3.200 1.300 1.300 peak 690 spectrum 1 weight 0.11000E+01 volume 0.12802E-02 ppm1 3.172 ppm2 4.453 CV 1
ASSI { 691}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 25 and name HA ))
2.700 0.900 0.900 peak 691 spectrum 1 weight 0.11000E+01 volume 0.27225E-02 ppm1 3.261 ppm2 4.456 CV 1
ASSI { 694}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HA ))
4.900 3.000 1.100 peak 694 spectrum 1 weight 0.11000E+01 volume 0.10204E-03 ppm1 3.650 ppm2 4.269 CV 1
ASSI { 700}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 9 and name HD2 ))
1.500 0.300 0.700 peak 700 spectrum 1 weight 0.11000E+01 volume 0.82752E-01 ppm1 1.564 ppm2 1.682 CV 1
OR { 700}
(( segid " " and resid 7 and name HD1 ))
(( segid " " and resid 9 and name HD2 ))
OR { 700}
(( segid " " and resid 7 and name HD1 ))
(( segid " " and resid 9 and name HD1 ))
ASSI { 701}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 7 and name HA ))
3.300 1.400 1.400 peak 701 spectrum 1 weight 0.11000E+01 volume 0.83733E-03 ppm1 5.405 ppm2 4.829 CV 1
ASSI { 703}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 25 and name HB2 ))
3.500 1.600 1.600 peak 703 spectrum 1 weight 0.11000E+01 volume 0.33956E-03 ppm1 8.709 ppm2 3.167 CV 1
ASSI { 704}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 29 and name HG1 ))
4.200 2.200 1.800 peak 704 spectrum 1 weight 0.11000E+01 volume 0.38197E-03 ppm1 8.799 ppm2 1.586 CV 1
ASSI { 705}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 3 and name HG2%)
3.100 1.200 1.200 peak 705 spectrum 1 weight 0.11000E+01 volume 0.16771E-02 ppm1 8.243 ppm2 0.664 CV 1
ASSI { 707}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 13 and name HG2 ))
3.500 1.600 1.600 peak 707 spectrum 1 weight 0.11000E+01 volume 0.12668E-02 ppm1 3.035 ppm2 2.216 CV 1
OR { 707}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 13 and name HG1 ))
ASSI { 712}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 4 and name HG12))
5.000 3.100 1.000 peak 712 spectrum 1 weight 0.11000E+01 volume 0.28232E-03 ppm1 8.113 ppm2 1.041 CV 1
ASSI { 713}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 4 and name HD1%)
5.100 3.300 0.900 peak 713 spectrum 1 weight 0.11000E+01 volume 0.21732E-03 ppm1 8.119 ppm2 0.621 CV 1
ASSI { 715}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 38 and name HD2 ))
3.200 1.300 1.300 peak 715 spectrum 1 weight 0.11000E+01 volume 0.12795E-02 ppm1 8.567 ppm2 2.028 CV 1
OR { 715}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 38 and name HD1 ))
ASSI { 720}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 35 and name HA ))
5.000 3.200 1.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.13014E-03 ppm1 7.867 ppm2 5.332 CV 1
ASSI { 723}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HG1 ))
4.700 2.800 1.300 peak 723 spectrum 1 weight 0.11000E+01 volume 0.27066E-03 ppm1 4.642 ppm2 1.603 CV 1
ASSI { 724}
(( segid " " and resid 31 and name HA2 ))
(( segid " " and resid 7 and name HB1 ))
3.500 3.500 2.500 peak 724 spectrum 1 weight 0.11000E+01 volume 0.34721E-03 ppm1 4.135 ppm2 1.838 CV 1
OR { 724}
(( segid " " and resid 31 and name HA1 ))
(( segid " " and resid 7 and name HB1 ))
ASSI { 727}
(( segid " " and resid 19 and name HE2 ))
(( segid " " and resid 24 and name HD1 ))
2.800 2.800 3.200 peak 727 spectrum 1 weight 0.10000E+01 volume 0.45787E-02 ppm1 3.038 ppm2 2.821 CV 1
OR { 727}
(( segid " " and resid 19 and name HE2 ))
(( segid " " and resid 24 and name HD2 ))
OR { 727}
(( segid " " and resid 19 and name HE1 ))
(( segid " " and resid 24 and name HD1 ))
OR { 727}
(( segid " " and resid 19 and name HE1 ))
(( segid " " and resid 24 and name HD2 ))
ASSI { 731}
(( segid " " and resid 33 and name HB2 ))
( segid " " and resid 6 and name HG2%)
3.800 1.800 1.800 peak 731 spectrum 1 weight 0.11000E+01 volume 0.22304E-03 ppm1 2.560 ppm2 0.906 CV 1
ASSI { 734}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 6 and name HB ))
4.100 2.100 1.900 peak 734 spectrum 1 weight 0.11000E+01 volume 0.21120E-03 ppm1 3.040 ppm2 1.417 CV 1
ASSI { 737}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 14 and name HB1 ))
1.500 0.300 0.700 peak 737 spectrum 1 weight 0.11000E+01 volume 0.44858E-01 ppm1 2.641 ppm2 3.090 CV 1
ASSI { 738}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HB1 ))
1.700 0.400 0.500 peak 738 spectrum 1 weight 0.10000E+01 volume 0.25871E-01 ppm1 2.774 ppm2 3.088 CV 1
ASSI { 739}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HB1 ))
1.500 0.300 0.700 peak 739 spectrum 1 weight 0.11000E+01 volume 0.46531E-01 ppm1 2.719 ppm2 3.034 CV 1
ASSI { 742}
(( segid " " and resid 25 and name HZ ))
( segid " " and resid 25 and name HD% )
4.400 2.500 1.600 peak 742 spectrum 1 weight 0.11000E+01 volume 0.34663E-03 ppm1 7.859 ppm2 7.178 CV 1
ASSI { 744}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 13 and name HB2 ))
4.100 2.100 1.900 peak 744 spectrum 1 weight 0.11000E+01 volume 0.42970E-03 ppm1 9.247 ppm2 2.502 CV 1
ASSI { 745}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HB1 ))
4.300 2.300 1.700 peak 745 spectrum 1 weight 0.11000E+01 volume 0.39083E-03 ppm1 9.465 ppm2 2.224 CV 1
ASSI { 747}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 7 and name HE2 ))
4.300 2.300 1.700 peak 747 spectrum 1 weight 0.10000E+01 volume 0.25965E-03 ppm1 8.645 ppm2 2.977 CV 1
OR { 747}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 7 and name HE1 ))
ASSI { 752}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HG2 ))
4.600 2.700 1.400 peak 752 spectrum 1 weight 0.11000E+01 volume 0.39363E-03 ppm1 8.023 ppm2 1.431 CV 1
ASSI { 756}
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 26 and name HA2 ))
4.400 2.400 1.600 peak 756 spectrum 1 weight 0.10000E+01 volume 0.19373E-03 ppm1 3.050 ppm2 3.815 CV 1
OR { 756}
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 26 and name HA1 ))
ASSI { 757}
(( segid " " and resid 12 and name HE ))
(( segid " " and resid 12 and name HD1 ))
4.200 2.200 1.800 peak 757 spectrum 1 weight 0.11000E+01 volume 0.22628E-03 ppm1 7.244 ppm2 3.216 CV 1
OR { 757}
(( segid " " and resid 12 and name HE ))
(( segid " " and resid 12 and name HD2 ))
ASSI { 760}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HD1 ))
5.000 3.200 1.000 peak 760 spectrum 1 weight 0.11000E+01 volume 0.15932E-03 ppm1 4.081 ppm2 3.237 CV 1
OR { 760}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HD2 ))
ASSI { 761}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 17 and name HB2 ))
6.000 5.300 0.000 peak 761 spectrum 1 weight 0.11000E+01 volume 0.43619E-04 ppm1 3.657 ppm2 1.672 CV 1
ASSI { 763}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HD1 ))
6.000 5.000 0.000 peak 763 spectrum 1 weight 0.11000E+01 volume 0.66280E-04 ppm1 7.793 ppm2 3.656 CV 1
ASSI { 765}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HE2 ))
5.600 4.000 0.400 peak 765 spectrum 1 weight 0.11000E+01 volume 0.14511E-03 ppm1 8.404 ppm2 2.994 CV 1
OR { 765}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HE1 ))
ASSI { 767}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 10 and name HG11))
2.300 0.700 0.700 peak 767 spectrum 1 weight 0.11000E+01 volume 0.61403E-02 ppm1 2.176 ppm2 1.319 CV 1
OR { 767}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 10 and name HG12))
ASSI { 6}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HA ))
2.300 0.600 0.600 peak 6 spectrum 2 weight 0.11000E+01 volume 0.91697E-02 ppm1 9.348 ppm2 5.321 CV 1
ASSI { 28}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HD2 ))
4.800 2.800 1.200 peak 28 spectrum 2 weight 0.11000E+01 volume 0.31269E-03 ppm1 8.794 ppm2 1.344 CV 1
OR { 28}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HD1 ))
ASSI { 46}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HA ))
3.000 1.100 1.100 peak 46 spectrum 2 weight 0.11000E+01 volume 0.20010E-02 ppm1 8.628 ppm2 4.628 CV 1
ASSI { 51}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA ))
2.900 1.000 1.000 peak 51 spectrum 2 weight 0.11000E+01 volume 0.18771E-02 ppm1 8.409 ppm2 4.414 CV 1
ASSI { 56}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB1 ))
2.400 0.700 0.700 peak 56 spectrum 2 weight 0.11000E+01 volume 0.24248E-02 ppm1 8.403 ppm2 1.353 CV 1
ASSI { 59}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HA ))
3.000 1.100 1.100 peak 59 spectrum 2 weight 0.11000E+01 volume 0.18440E-02 ppm1 8.376 ppm2 4.231 CV 1
ASSI { 61}
(( segid " " and resid 3 and name HN ))
( segid " " and resid 3 and name HD1%)
4.300 2.300 1.700 peak 61 spectrum 2 weight 0.11000E+01 volume 0.38870E-03 ppm1 8.377 ppm2 0.740 CV 1
ASSI { 64}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HD1%)
4.900 2.900 1.100 peak 64 spectrum 2 weight 0.11000E+01 volume 0.68658E-03 ppm1 8.243 ppm2 0.628 CV 1
ASSI { 76}
(( segid " " and resid 24 and name HE ))
(( segid " " and resid 24 and name HG1 ))
3.700 1.700 1.700 peak 76 spectrum 2 weight 0.11000E+01 volume 0.73786E-03 ppm1 6.778 ppm2 1.157 CV 1
ASSI { 78}
(( segid " " and resid 24 and name HE ))
(( segid " " and resid 36 and name HB ))
3.800 1.800 1.800 peak 78 spectrum 2 weight 0.11000E+01 volume 0.70477E-03 ppm1 6.778 ppm2 3.992 CV 1
ASSI { 81}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 15 and name HD2%)
4.800 2.900 1.200 peak 81 spectrum 2 weight 0.11000E+01 volume 0.54613E-03 ppm1 7.185 ppm2 0.863 CV 1
ASSI { 82}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 15 and name HD1%)
4.700 2.800 1.300 peak 82 spectrum 2 weight 0.11000E+01 volume 0.52925E-03 ppm1 7.188 ppm2 1.016 CV 1
ASSI { 87}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
3.000 1.100 1.100 peak 87 spectrum 2 weight 0.11000E+01 volume 0.19686E-02 ppm1 7.404 ppm2 4.176 CV 1
ASSI { 99}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.700 0.900 0.900 peak 99 spectrum 2 weight 0.11000E+01 volume 0.13311E-02 ppm1 7.792 ppm2 2.410 CV 1
ASSI { 101}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB1 ))
3.900 1.900 1.900 peak 101 spectrum 2 weight 0.11000E+01 volume 0.26292E-03 ppm1 7.916 ppm2 3.031 CV 1
ASSI { 105}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HA ))
2.900 1.100 1.100 peak 105 spectrum 2 weight 0.11000E+01 volume 0.16311E-02 ppm1 8.056 ppm2 4.611 CV 1
ASSI { 106}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB1 ))
3.300 1.400 1.400 peak 106 spectrum 2 weight 0.11000E+01 volume 0.14026E-02 ppm1 8.057 ppm2 2.390 CV 1
ASSI { 107}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB2 ))
3.100 1.200 1.200 peak 107 spectrum 2 weight 0.11000E+01 volume 0.90875E-03 ppm1 8.059 ppm2 2.329 CV 1
ASSI { 112}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB1 ))
3.800 1.800 1.800 peak 112 spectrum 2 weight 0.11000E+01 volume 0.12838E-02 ppm1 8.089 ppm2 3.088 CV 1
ASSI { 118}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB2 ))
2.300 0.600 0.600 peak 118 spectrum 2 weight 0.11000E+01 volume 0.74069E-02 ppm1 8.012 ppm2 1.938 CV 1
OR { 118}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB1 ))
ASSI { 121}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HA ))
3.000 1.100 1.100 peak 121 spectrum 2 weight 0.11000E+01 volume 0.18050E-02 ppm1 7.698 ppm2 5.401 CV 1
ASSI { 122}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB1 ))
4.400 2.400 1.600 peak 122 spectrum 2 weight 0.11000E+01 volume 0.46307E-03 ppm1 7.693 ppm2 1.964 CV 1
ASSI { 126}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB1 ))
5.000 3.100 1.000 peak 126 spectrum 2 weight 0.11000E+01 volume 0.33689E-03 ppm1 8.144 ppm2 3.245 CV 1
ASSI { 133}
(( segid " " and resid 13 and name HE22))
(( segid " " and resid 13 and name HG2 ))
4.400 2.400 1.600 peak 133 spectrum 2 weight 0.11000E+01 volume 0.56720E-03 ppm1 7.043 ppm2 2.221 CV 1
OR { 133}
(( segid " " and resid 13 and name HE22))
(( segid " " and resid 13 and name HG1 ))
ASSI { 138}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
3.300 1.300 1.300 peak 138 spectrum 2 weight 0.11000E+01 volume 0.12154E-02 ppm1 8.083 ppm2 4.173 CV 1
ASSI { 148}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
4.400 2.400 1.600 peak 148 spectrum 2 weight 0.11000E+01 volume 0.20643E-03 ppm1 9.006 ppm2 4.102 CV 1
ASSI { 150}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 15 and name HD2%)
4.700 2.700 1.300 peak 150 spectrum 2 weight 0.11000E+01 volume 0.37341E-03 ppm1 9.009 ppm2 0.860 CV 1
ASSI { 158}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 16 and name HB1 ))
3.800 1.800 1.800 peak 158 spectrum 2 weight 0.11000E+01 volume 0.13776E-02 ppm1 3.511 ppm2 1.931 CV 1
ASSI { 159}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 16 and name HB2 ))
5.500 3.800 0.500 peak 159 spectrum 2 weight 0.11000E+01 volume 0.58236E-03 ppm1 3.513 ppm2 1.843 CV 1
ASSI { 161}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HB2 ))
3.700 1.700 1.700 peak 161 spectrum 2 weight 0.11000E+01 volume 0.10335E-02 ppm1 3.512 ppm2 1.652 CV 1
ASSI { 164}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HD2 ))
2.900 1.000 1.000 peak 164 spectrum 2 weight 0.11000E+01 volume 0.11417E-02 ppm1 7.791 ppm2 3.504 CV 1
ASSI { 165}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB1 ))
4.000 2.000 2.000 peak 165 spectrum 2 weight 0.11000E+01 volume 0.97355E-03 ppm1 7.792 ppm2 2.335 CV 1
ASSI { 166}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HN ))
2.500 0.800 0.800 peak 166 spectrum 2 weight 0.11000E+01 volume 0.55331E-02 ppm1 7.794 ppm2 8.024 CV 1
ASSI { 168}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
3.600 1.600 1.600 peak 168 spectrum 2 weight 0.11000E+01 volume 0.10465E-02 ppm1 8.009 ppm2 4.427 CV 1
ASSI { 169}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.000 1.100 1.100 peak 169 spectrum 2 weight 0.11000E+01 volume 0.10153E-02 ppm1 8.015 ppm2 2.404 CV 1
ASSI { 176}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 19 and name HA ))
4.300 2.300 1.700 peak 176 spectrum 2 weight 0.11000E+01 volume 0.38101E-03 ppm1 7.361 ppm2 4.271 CV 1
ASSI { 181}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HN ))
2.800 1.000 1.000 peak 181 spectrum 2 weight 0.11000E+01 volume 0.19391E-02 ppm1 7.403 ppm2 8.623 CV 1
ASSI { 184}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 12 and name HA ))
3.600 1.600 1.600 peak 184 spectrum 2 weight 0.11000E+01 volume 0.93977E-03 ppm1 8.084 ppm2 4.080 CV 1
ASSI { 185}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HN ))
3.000 1.100 1.100 peak 185 spectrum 2 weight 0.11000E+01 volume 0.14467E-02 ppm1 8.615 ppm2 9.241 CV 1
ASSI { 188}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 11 and name HA ))
3.800 1.800 1.800 peak 188 spectrum 2 weight 0.11000E+01 volume 0.42233E-03 ppm1 8.086 ppm2 4.003 CV 1
ASSI { 189}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 11 and name HA ))
4.300 2.300 1.700 peak 189 spectrum 2 weight 0.11000E+01 volume 0.23299E-03 ppm1 7.405 ppm2 4.002 CV 1
ASSI { 191}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 10 and name HG2%)
3.200 1.300 1.300 peak 191 spectrum 2 weight 0.11000E+01 volume 0.31252E-02 ppm1 7.973 ppm2 1.180 CV 1
ASSI { 193}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 10 and name HD1%)
4.200 2.200 1.800 peak 193 spectrum 2 weight 0.11000E+01 volume 0.15658E-02 ppm1 9.227 ppm2 0.951 CV 1
ASSI { 196}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
3.600 1.600 1.600 peak 196 spectrum 2 weight 0.11000E+01 volume 0.83519E-03 ppm1 7.972 ppm2 4.484 CV 1
ASSI { 206}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB2 ))
5.200 3.300 0.800 peak 206 spectrum 2 weight 0.11000E+01 volume 0.39896E-03 ppm1 7.913 ppm2 1.710 CV 1
ASSI { 215}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HB2 ))
4.400 2.400 1.600 peak 215 spectrum 2 weight 0.11000E+01 volume 0.62657E-03 ppm1 9.546 ppm2 2.555 CV 1
ASSI { 220}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HG1 ))
5.100 3.300 0.900 peak 220 spectrum 2 weight 0.11000E+01 volume 0.87283E-04 ppm1 7.698 ppm2 1.421 CV 1
OR { 220}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HG2 ))
ASSI { 221}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA1 ))
3.100 1.200 1.200 peak 221 spectrum 2 weight 0.11000E+01 volume 0.21886E-02 ppm1 7.694 ppm2 4.117 CV 1
OR { 221}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA2 ))
ASSI { 223}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
2.700 0.900 0.900 peak 223 spectrum 2 weight 0.11000E+01 volume 0.27153E-02 ppm1 7.696 ppm2 8.361 CV 1
ASSI { 231}
(( segid " " and resid 34 and name HE2 ))
(( segid " " and resid 34 and name HB2 ))
5.100 3.200 0.900 peak 231 spectrum 2 weight 0.11000E+01 volume 0.16255E-03 ppm1 7.565 ppm2 3.062 CV 1
ASSI { 232}
(( segid " " and resid 34 and name HE2 ))
(( segid " " and resid 34 and name HB1 ))
3.700 1.700 1.700 peak 232 spectrum 2 weight 0.11000E+01 volume 0.25788E-03 ppm1 7.565 ppm2 3.220 CV 1
ASSI { 238}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 29 and name HN ))
3.100 1.200 1.200 peak 238 spectrum 2 weight 0.11000E+01 volume 0.15259E-02 ppm1 7.700 ppm2 8.637 CV 1
ASSI { 240}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 33 and name HA ))
4.300 2.300 1.700 peak 240 spectrum 2 weight 0.11000E+01 volume 0.35780E-03 ppm1 8.634 ppm2 5.048 CV 1
ASSI { 244}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA ))
2.100 0.500 0.500 peak 244 spectrum 2 weight 0.11000E+01 volume 0.10341E-01 ppm1 8.843 ppm2 4.600 CV 1
ASSI { 246}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HD2 ))
4.300 2.300 1.700 peak 246 spectrum 2 weight 0.11000E+01 volume 0.26021E-03 ppm1 8.838 ppm2 1.346 CV 1
ASSI { 248}
(( segid " " and resid 26 and name HA2 ))
(( segid " " and resid 35 and name HA ))
3.800 1.800 1.800 peak 248 spectrum 2 weight 0.11000E+01 volume 0.32711E-03 ppm1 3.799 ppm2 5.330 CV 1
OR { 248}
(( segid " " and resid 26 and name HA1 ))
(( segid " " and resid 35 and name HA ))
ASSI { 250}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA ))
2.700 0.900 0.900 peak 250 spectrum 2 weight 0.11000E+01 volume 0.29759E-02 ppm1 7.871 ppm2 4.453 CV 1
ASSI { 254}
( segid " " and resid 25 and name HD% )
(( segid " " and resid 25 and name HB2 ))
2.500 0.800 0.800 peak 254 spectrum 2 weight 0.11000E+01 volume 0.35476E-02 ppm1 7.176 ppm2 3.158 CV 1
ASSI { 255}
( segid " " and resid 25 and name HD% )
(( segid " " and resid 25 and name HA ))
2.600 0.800 0.800 peak 255 spectrum 2 weight 0.11000E+01 volume 0.33573E-02 ppm1 7.179 ppm2 4.455 CV 1
ASSI { 260}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 36 and name HN ))
2.900 1.000 1.000 peak 260 spectrum 2 weight 0.11000E+01 volume 0.21605E-02 ppm1 8.135 ppm2 8.709 CV 1
ASSI { 263}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HN ))
2.700 0.900 0.900 peak 263 spectrum 2 weight 0.11000E+01 volume 0.26932E-02 ppm1 8.136 ppm2 8.408 CV 1
ASSI { 266}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HG2 ))
3.600 1.600 1.600 peak 266 spectrum 2 weight 0.11000E+01 volume 0.43562E-03 ppm1 8.138 ppm2 1.055 CV 1
ASSI { 267}
(( segid " " and resid 5 and name HD21))
(( segid " " and resid 5 and name HB2 ))
4.500 2.500 1.500 peak 267 spectrum 2 weight 0.11000E+01 volume 0.18376E-03 ppm1 7.587 ppm2 2.597 CV 1
ASSI { 269}
(( segid " " and resid 5 and name HD22))
(( segid " " and resid 5 and name HB1 ))
4.900 3.000 1.100 peak 269 spectrum 2 weight 0.11000E+01 volume 0.43341E-03 ppm1 6.835 ppm2 2.907 CV 1
ASSI { 285}
(( segid " " and resid 37 and name HD1 ))
(( segid " " and resid 36 and name HA ))
2.500 0.800 0.800 peak 285 spectrum 2 weight 0.11000E+01 volume 0.26806E-02 ppm1 3.919 ppm2 4.952 CV 1
ASSI { 286}
(( segid " " and resid 37 and name HD1 ))
(( segid " " and resid 37 and name HG1 ))
2.700 0.900 0.900 peak 286 spectrum 2 weight 0.11000E+01 volume 0.31805E-02 ppm1 3.922 ppm2 2.036 CV 1
OR { 286}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HG2 ))
OR { 286}
(( segid " " and resid 37 and name HD1 ))
(( segid " " and resid 37 and name HG2 ))
OR { 286}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HG1 ))
ASSI { 288}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
3.200 1.300 1.300 peak 288 spectrum 2 weight 0.11000E+01 volume 0.50924E-03 ppm1 8.396 ppm2 3.979 CV 1
ASSI { 298}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 2 and name HG2%)
3.700 1.700 1.700 peak 298 spectrum 2 weight 0.11000E+01 volume 0.79464E-03 ppm1 9.355 ppm2 0.859 CV 1
ASSI { 300}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB ))
2.400 0.700 0.700 peak 300 spectrum 2 weight 0.11000E+01 volume 0.47455E-02 ppm1 9.228 ppm2 2.181 CV 1
ASSI { 303}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 38 and name HB1 ))
5.100 3.300 0.900 peak 303 spectrum 2 weight 0.11000E+01 volume 0.27809E-03 ppm1 8.562 ppm2 2.394 CV 1
ASSI { 316}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 37 and name HA ))
3.100 1.200 1.200 peak 316 spectrum 2 weight 0.11000E+01 volume 0.48755E-02 ppm1 8.567 ppm2 4.466 CV 1
ASSI { 320}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 38 and name HA ))
2.300 0.600 0.600 peak 320 spectrum 2 weight 0.11000E+01 volume 0.38695E-02 ppm1 8.400 ppm2 4.612 CV 1
ASSI { 325}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 19 and name HG2 ))
3.900 1.900 1.900 peak 325 spectrum 2 weight 0.10000E+01 volume 0.83940E-03 ppm1 8.057 ppm2 1.483 CV 1
OR { 325}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 19 and name HG1 ))
ASSI { 330}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 8 and name HB2 ))
3.600 1.600 1.600 peak 330 spectrum 2 weight 0.11000E+01 volume 0.47246E-03 ppm1 7.976 ppm2 2.722 CV 1
ASSI { 331}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 8 and name HB1 ))
3.700 1.700 1.700 peak 331 spectrum 2 weight 0.11000E+01 volume 0.22688E-02 ppm1 7.976 ppm2 3.039 CV 1
ASSI { 336}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HN ))
4.100 2.100 1.900 peak 336 spectrum 2 weight 0.11000E+01 volume 0.11230E-02 ppm1 7.870 ppm2 8.152 CV 1
ASSI { 340}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
3.800 1.800 1.800 peak 340 spectrum 2 weight 0.11000E+01 volume 0.48038E-03 ppm1 7.791 ppm2 4.266 CV 1
ASSI { 341}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 15 and name HA ))
4.800 2.900 1.200 peak 341 spectrum 2 weight 0.11000E+01 volume 0.20152E-03 ppm1 7.791 ppm2 4.104 CV 1
ASSI { 342}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 15 and name HG ))
3.400 1.500 1.500 peak 342 spectrum 2 weight 0.11000E+01 volume 0.23517E-02 ppm1 7.790 ppm2 1.656 CV 1
ASSI { 347}
(( segid " " and resid 34 and name HE2 ))
(( segid " " and resid 32 and name HB1 ))
5.400 3.600 0.600 peak 347 spectrum 2 weight 0.11000E+01 volume 0.11848E-03 ppm1 7.567 ppm2 1.968 CV 1
ASSI { 348}
(( segid " " and resid 34 and name HE2 ))
(( segid " " and resid 34 and name HA ))
3.500 1.500 1.500 peak 348 spectrum 2 weight 0.11000E+01 volume 0.35807E-03 ppm1 7.565 ppm2 5.326 CV 1
ASSI { 350}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 10 and name HD1%)
4.500 2.500 1.500 peak 350 spectrum 2 weight 0.11000E+01 volume 0.38838E-03 ppm1 7.400 ppm2 0.939 CV 1
ASSI { 356}
(( segid " " and resid 13 and name HE22))
(( segid " " and resid 8 and name HA ))
4.500 2.500 1.500 peak 356 spectrum 2 weight 0.11000E+01 volume 0.37975E-03 ppm1 7.042 ppm2 4.674 CV 1
ASSI { 359}
( segid " " and resid 25 and name HE% )
(( segid " " and resid 36 and name HB ))
5.700 4.000 0.300 peak 359 spectrum 2 weight 0.11000E+01 volume 0.20584E-03 ppm1 7.332 ppm2 3.988 CV 1
ASSI { 366}
( segid " " and resid 25 and name HD% )
( segid " " and resid 36 and name HG2%)
3.200 1.300 1.300 peak 366 spectrum 2 weight 0.11000E+01 volume 0.16959E-02 ppm1 7.176 ppm2 1.396 CV 1
ASSI { 384}
( segid " " and resid 3 and name HD1%)
(( segid " " and resid 3 and name HG12))
2.900 1.100 1.100 peak 384 spectrum 2 weight 0.11000E+01 volume 0.19100E-02 ppm1 0.731 ppm2 -0.099 CV 1
ASSI { 387}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 3 and name HA ))
3.200 1.300 1.300 peak 387 spectrum 2 weight 0.11000E+01 volume 0.11650E-02 ppm1 1.538 ppm2 4.233 CV 1
ASSI { 390}
(( segid " " and resid 3 and name HG11))
( segid " " and resid 3 and name HD1%)
2.400 0.700 0.700 peak 390 spectrum 2 weight 0.11000E+01 volume 0.59254E-02 ppm1 1.259 ppm2 0.737 CV 1
ASSI { 394}
(( segid " " and resid 4 and name HG12))
( segid " " and resid 4 and name HD1%)
2.300 0.600 0.600 peak 394 spectrum 2 weight 0.11000E+01 volume 0.70664E-02 ppm1 1.059 ppm2 0.619 CV 1
ASSI { 395}
(( segid " " and resid 4 and name HG11))
( segid " " and resid 4 and name HD1%)
2.400 0.700 0.700 peak 395 spectrum 2 weight 0.11000E+01 volume 0.59211E-02 ppm1 1.211 ppm2 0.621 CV 1
ASSI { 399}
( segid " " and resid 10 and name HD1%)
( segid " " and resid 10 and name HG2%)
2.800 1.000 1.000 peak 399 spectrum 2 weight 0.11000E+01 volume 0.31813E-02 ppm1 0.938 ppm2 1.176 CV 1
ASSI { 405}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HG2 ))
2.400 0.700 0.700 peak 405 spectrum 2 weight 0.11000E+01 volume 0.10452E-01 ppm1 1.288 ppm2 1.040 CV 1
ASSI { 419}
(( segid " " and resid 17 and name HG1 ))
( segid " " and resid 4 and name HD1%)
3.000 3.000 3.000 peak 419 spectrum 2 weight 0.11000E+01 volume 0.18167E-02 ppm1 1.665 ppm2 0.618 CV 1
OR { 419}
(( segid " " and resid 17 and name HG2 ))
( segid " " and resid 4 and name HD1%)
ASSI { 422}
(( segid " " and resid 29 and name HG2 ))
(( segid " " and resid 29 and name HG1 ))
1.900 1.900 4.100 peak 422 spectrum 2 weight 0.11000E+01 volume 0.10204E-01 ppm1 1.148 ppm2 1.586 CV 1
ASSI { 432}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 32 and name HB1 ))
4.000 4.000 2.000 peak 432 spectrum 2 weight 0.11000E+01 volume 0.10142E-02 ppm1 0.769 ppm2 1.967 CV 1
ASSI { 437}
(( segid " " and resid 15 and name HG ))
( segid " " and resid 15 and name HD2%)
2.600 0.900 0.900 peak 437 spectrum 2 weight 0.11000E+01 volume 0.38847E-02 ppm1 1.660 ppm2 0.859 CV 1
ASSI { 438}
(( segid " " and resid 23 and name HG1 ))
( segid " " and resid 15 and name HD2%)
3.700 3.700 2.300 peak 438 spectrum 2 weight 0.11000E+01 volume 0.18237E-02 ppm1 1.772 ppm2 0.858 CV 1
ASSI { 439}
(( segid " " and resid 15 and name HG ))
( segid " " and resid 15 and name HD1%)
3.100 1.200 1.200 peak 439 spectrum 2 weight 0.11000E+01 volume 0.12023E-02 ppm1 1.657 ppm2 1.014 CV 1
ASSI { 441}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 3 and name HG11))
2.600 0.800 0.800 peak 441 spectrum 2 weight 0.10000E+01 volume 0.56558E-02 ppm1 1.526 ppm2 1.245 CV 1
ASSI { 442}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 10 and name HD1%)
2.700 2.700 3.300 peak 442 spectrum 2 weight 0.11000E+01 volume 0.23599E-02 ppm1 1.741 ppm2 0.932 CV 1
ASSI { 446}
( segid " " and resid 15 and name HD1%)
(( segid " " and resid 15 and name HB1 ))
4.200 2.200 1.800 peak 446 spectrum 2 weight 0.11000E+01 volume 0.58859E-03 ppm1 1.014 ppm2 1.822 CV 1
ASSI { 450}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HB1 ))
2.000 0.500 0.500 peak 450 spectrum 2 weight 0.11000E+01 volume 0.18252E-01 ppm1 1.647 ppm2 1.360 CV 1
OR { 450}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 451}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 29 and name HG1 ))
3.500 1.500 1.500 peak 451 spectrum 2 weight 0.10000E+01 volume 0.12771E-02 ppm1 1.233 ppm2 1.632 CV 1
OR { 451}
(( segid " " and resid 27 and name HG1 ))
(( segid " " and resid 29 and name HG1 ))
OR { 451}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 29 and name HG2 ))
OR { 451}
(( segid " " and resid 27 and name HG1 ))
(( segid " " and resid 29 and name HG2 ))
ASSI { 454}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 10 and name HG11))
2.500 2.500 3.500 peak 454 spectrum 2 weight 0.10000E+01 volume 0.76819E-02 ppm1 1.768 ppm2 1.319 CV 1
OR { 454}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 10 and name HG12))
ASSI { 455}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 38 and name HG2 ))
2.800 1.000 1.000 peak 455 spectrum 2 weight 0.11000E+01 volume 0.10803E-01 ppm1 1.330 ppm2 1.749 CV 1
OR { 455}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 38 and name HG1 ))
ASSI { 456}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HG1 ))
2.500 0.800 0.800 peak 456 spectrum 2 weight 0.11000E+01 volume 0.63826E-02 ppm1 1.689 ppm2 1.240 CV 1
OR { 456}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HG2 ))
OR { 456}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HG1 ))
OR { 456}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HG2 ))
ASSI { 457}
(( segid " " and resid 6 and name HB ))
(( segid " " and resid 4 and name HG11))
2.100 0.500 0.500 peak 457 spectrum 2 weight 0.11000E+01 volume 0.91829E-02 ppm1 1.442 ppm2 1.188 CV 1
ASSI { 462}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HG1 ))
1.900 0.500 0.500 peak 462 spectrum 2 weight 0.11000E+01 volume 0.16653E-01 ppm1 1.949 ppm2 1.455 CV 1
ASSI { 464}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 7 and name HD2 ))
2.200 0.600 0.600 peak 464 spectrum 2 weight 0.11000E+01 volume 0.10761E-01 ppm1 1.835 ppm2 1.546 CV 1
OR { 464}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 7 and name HD1 ))
ASSI { 466}
(( segid " " and resid 15 and name HG ))
(( segid " " and resid 15 and name HB1 ))
2.900 1.000 1.000 peak 466 spectrum 2 weight 0.11000E+01 volume 0.20938E-02 ppm1 1.649 ppm2 1.821 CV 1
ASSI { 467}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HB1 ))
3.400 1.400 1.400 peak 467 spectrum 2 weight 0.10000E+01 volume 0.75126E-03 ppm1 1.346 ppm2 1.916 CV 1
ASSI { 470}
(( segid " " and resid 4 and name HG11))
( segid " " and resid 4 and name HG2%)
3.300 1.300 1.300 peak 470 spectrum 2 weight 0.11000E+01 volume 0.40774E-02 ppm1 1.205 ppm2 0.747 CV 1
ASSI { 471}
(( segid " " and resid 6 and name HB ))
( segid " " and resid 4 and name HG2%)
4.600 4.600 1.400 peak 471 spectrum 2 weight 0.11000E+01 volume 0.11063E-02 ppm1 1.439 ppm2 0.744 CV 1
ASSI { 485}
( segid " " and resid 2 and name HG1%)
(( segid " " and resid 2 and name HA ))
2.900 1.100 1.100 peak 485 spectrum 2 weight 0.11000E+01 volume 0.23921E-02 ppm1 0.865 ppm2 4.286 CV 1
OR { 485}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 2 and name HA ))
ASSI { 487}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 6 and name HA ))
2.700 0.900 0.900 peak 487 spectrum 2 weight 0.11000E+01 volume 0.33567E-02 ppm1 0.912 ppm2 4.118 CV 1
ASSI { 492}
( segid " " and resid 10 and name HD1%)
(( segid " " and resid 10 and name HA ))
3.600 3.600 2.400 peak 492 spectrum 2 weight 0.10000E+01 volume 0.43897E-02 ppm1 0.965 ppm2 4.887 CV 1
ASSI { 493}
(( segid " " and resid 10 and name HG12))
(( segid " " and resid 10 and name HA ))
3.900 1.900 1.900 peak 493 spectrum 2 weight 0.11000E+01 volume 0.71500E-03 ppm1 1.312 ppm2 4.887 CV 1
OR { 493}
(( segid " " and resid 10 and name HG11))
(( segid " " and resid 10 and name HA ))
ASSI { 497}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HA ))
3.200 1.200 1.200 peak 497 spectrum 2 weight 0.11000E+01 volume 0.18318E-02 ppm1 2.555 ppm2 5.048 CV 1
ASSI { 498}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 33 and name HA ))
2.600 0.800 0.800 peak 498 spectrum 2 weight 0.11000E+01 volume 0.30481E-02 ppm1 2.654 ppm2 5.043 CV 1
ASSI { 499}
(( segid " " and resid 32 and name HG1 ))
(( segid " " and resid 32 and name HA ))
3.900 1.900 1.900 peak 499 spectrum 2 weight 0.11000E+01 volume 0.49941E-03 ppm1 1.439 ppm2 5.403 CV 1
OR { 499}
(( segid " " and resid 32 and name HG2 ))
(( segid " " and resid 32 and name HA ))
ASSI { 501}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HA ))
3.700 1.700 1.700 peak 501 spectrum 2 weight 0.11000E+01 volume 0.84486E-03 ppm1 1.805 ppm2 5.399 CV 1
ASSI { 502}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 32 and name HA ))
3.000 1.100 1.100 peak 502 spectrum 2 weight 0.11000E+01 volume 0.13932E-02 ppm1 1.979 ppm2 5.399 CV 1
ASSI { 505}
(( segid " " and resid 34 and name HB1 ))
(( segid " " and resid 34 and name HA ))
3.200 1.300 1.300 peak 505 spectrum 2 weight 0.11000E+01 volume 0.88575E-03 ppm1 3.214 ppm2 5.320 CV 1
ASSI { 508}
(( segid " " and resid 1 and name HA1 ))
(( segid " " and resid 36 and name HA ))
3.200 1.300 1.300 peak 508 spectrum 2 weight 0.11000E+01 volume 0.19148E-02 ppm1 3.974 ppm2 4.951 CV 1
OR { 508}
(( segid " " and resid 1 and name HA2 ))
(( segid " " and resid 36 and name HA ))
ASSI { 511}
( segid " " and resid 10 and name HG2%)
(( segid " " and resid 10 and name HB ))
3.000 3.000 3.000 peak 511 spectrum 2 weight 0.11000E+01 volume 0.14439E-02 ppm1 1.196 ppm2 2.211 CV 1
ASSI { 522}
(( segid " " and resid 29 and name HB1 ))
(( segid " " and resid 29 and name HB2 ))
1.900 0.400 0.400 peak 522 spectrum 2 weight 0.11000E+01 volume 0.10967E-01 ppm1 2.224 ppm2 2.047 CV 1
ASSI { 527}
(( segid " " and resid 38 and name HD2 ))
(( segid " " and resid 38 and name HB2 ))
1.800 0.400 0.400 peak 527 spectrum 2 weight 0.11000E+01 volume 0.35504E-01 ppm1 2.052 ppm2 2.333 CV 1
OR { 527}
(( segid " " and resid 38 and name HD1 ))
(( segid " " and resid 38 and name HB2 ))
ASSI { 534}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 4 and name HG12))
2.600 0.800 0.800 peak 534 spectrum 2 weight 0.11000E+01 volume 0.15860E-02 ppm1 2.557 ppm2 1.037 CV 1
ASSI { 535}
(( segid " " and resid 33 and name HB2 ))
( segid " " and resid 4 and name HD1%)
3.200 1.300 1.300 peak 535 spectrum 2 weight 0.11000E+01 volume 0.15556E-02 ppm1 2.557 ppm2 0.618 CV 1
ASSI { 538}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 15 and name HB2 ))
3.400 1.400 1.400 peak 538 spectrum 2 weight 0.10000E+01 volume 0.39557E-02 ppm1 2.421 ppm2 1.747 CV 1
ASSI { 539}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 6 and name HB ))
2.900 1.000 1.000 peak 539 spectrum 2 weight 0.11000E+01 volume 0.28906E-02 ppm1 2.555 ppm2 1.423 CV 1
ASSI { 565}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HB1 ))
1.800 0.400 0.400 peak 565 spectrum 2 weight 0.11000E+01 volume 0.18003E-01 ppm1 2.595 ppm2 2.906 CV 1
ASSI { 571}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 32 and name HB1 ))
3.900 1.900 1.900 peak 571 spectrum 2 weight 0.11000E+01 volume 0.19536E-02 ppm1 2.664 ppm2 1.963 CV 1
ASSI { 574}
(( segid " " and resid 10 and name HB ))
(( segid " " and resid 12 and name HB1 ))
4.300 2.300 1.700 peak 574 spectrum 2 weight 0.10000E+01 volume 0.11578E-02 ppm1 2.179 ppm2 1.959 CV 1
ASSI { 577}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 13 and name HG2 ))
3.200 1.300 1.300 peak 577 spectrum 2 weight 0.10000E+01 volume 0.18832E-02 ppm1 2.706 ppm2 2.221 CV 1
OR { 577}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 13 and name HG1 ))
ASSI { 579}
(( segid " " and resid 35 and name HB1 ))
(( segid " " and resid 23 and name HG1 ))
3.300 1.300 1.300 peak 579 spectrum 2 weight 0.10000E+01 volume 0.22356E-02 ppm1 3.084 ppm2 1.760 CV 1
ASSI { 581}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 29 and name HB2 ))
2.700 0.900 0.900 peak 581 spectrum 2 weight 0.11000E+01 volume 0.32330E-02 ppm1 3.086 ppm2 2.055 CV 1
ASSI { 582}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 32 and name HB1 ))
4.800 2.800 1.200 peak 582 spectrum 2 weight 0.11000E+01 volume 0.27353E-03 ppm1 3.085 ppm2 1.967 CV 1
ASSI { 589}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 24 and name HD1 ))
3.700 1.700 1.700 peak 589 spectrum 2 weight 0.11000E+01 volume 0.24134E-02 ppm1 3.257 ppm2 2.833 CV 1
OR { 589}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 24 and name HD2 ))
ASSI { 590}
(( segid " " and resid 12 and name HD2 ))
( segid " " and resid 10 and name HD1%)
4.400 2.400 1.600 peak 590 spectrum 2 weight 0.11000E+01 volume 0.31975E-03 ppm1 3.230 ppm2 0.933 CV 1
OR { 590}
(( segid " " and resid 12 and name HD1 ))
( segid " " and resid 10 and name HD1%)
ASSI { 594}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 17 and name HD1 ))
3.000 1.100 1.100 peak 594 spectrum 2 weight 0.11000E+01 volume 0.62242E-03 ppm1 1.933 ppm2 3.506 CV 1
OR { 594}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 17 and name HD2 ))
ASSI { 595}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HD1 ))
3.400 3.400 2.600 peak 595 spectrum 2 weight 0.11000E+01 volume 0.65406E-03 ppm1 2.105 ppm2 3.509 CV 1
OR { 595}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HD2 ))
OR { 595}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HD1 ))
OR { 595}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HD2 ))
ASSI { 610}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 37 and name HD2 ))
5.200 5.200 0.800 peak 610 spectrum 2 weight 0.11000E+01 volume 0.24419E-03 ppm1 1.296 ppm2 3.865 CV 1
ASSI { 623}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 37 and name HD2 ))
2.800 1.000 1.000 peak 623 spectrum 2 weight 0.11000E+01 volume 0.29387E-02 ppm1 1.412 ppm2 3.920 CV 1
OR { 623}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 37 and name HD1 ))
ASSI { 625}
(( segid " " and resid 23 and name HG1 ))
(( segid " " and resid 23 and name HA ))
3.100 1.200 1.200 peak 625 spectrum 2 weight 0.11000E+01 volume 0.12796E-02 ppm1 1.798 ppm2 3.990 CV 1
ASSI { 627}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 11 and name HA ))
2.300 0.600 0.600 peak 627 spectrum 2 weight 0.11000E+01 volume 0.60785E-02 ppm1 2.397 ppm2 4.005 CV 1
ASSI { 628}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 11 and name HA ))
3.200 1.300 1.300 peak 628 spectrum 2 weight 0.11000E+01 volume 0.22906E-02 ppm1 2.734 ppm2 4.005 CV 1
ASSI { 631}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 11 and name HA ))
4.300 2.300 1.700 peak 631 spectrum 2 weight 0.11000E+01 volume 0.16217E-03 ppm1 2.614 ppm2 4.005 CV 1
ASSI { 633}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 11 and name HA ))
5.100 3.300 0.900 peak 633 spectrum 2 weight 0.10000E+01 volume 0.14685E-03 ppm1 2.504 ppm2 4.013 CV 1
ASSI { 637}
(( segid " " and resid 25 and name HB1 ))
(( segid " " and resid 36 and name HB ))
5.800 4.100 0.200 peak 637 spectrum 2 weight 0.11000E+01 volume 0.25373E-03 ppm1 3.258 ppm2 3.990 CV 1
ASSI { 641}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HA ))
2.900 1.100 1.100 peak 641 spectrum 2 weight 0.10000E+01 volume 0.20446E-02 ppm1 1.937 ppm2 4.083 CV 1
ASSI { 642}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HG ))
3.100 1.200 1.200 peak 642 spectrum 2 weight 0.11000E+01 volume 0.11158E-02 ppm1 4.087 ppm2 1.646 CV 1
ASSI { 643}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 11 and name HB1 ))
3.800 1.800 1.800 peak 643 spectrum 2 weight 0.11000E+01 volume 0.10102E-02 ppm1 2.402 ppm2 4.082 CV 1
ASSI { 648}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 15 and name HA ))
3.100 1.200 1.200 peak 648 spectrum 2 weight 0.11000E+01 volume 0.16509E-02 ppm1 1.839 ppm2 4.099 CV 1
ASSI { 662}
(( segid " " and resid 7 and name HB1 ))
(( segid " " and resid 7 and name HA ))
3.200 1.200 1.200 peak 662 spectrum 2 weight 0.11000E+01 volume 0.18170E-02 ppm1 1.838 ppm2 4.815 CV 1
ASSI { 665}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 27 and name HA ))
3.600 1.600 1.600 peak 665 spectrum 2 weight 0.10000E+01 volume 0.62229E-03 ppm1 4.094 ppm2 4.602 CV 1
OR { 665}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 27 and name HA ))
ASSI { 668}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HA ))
2.400 0.700 0.700 peak 668 spectrum 2 weight 0.11000E+01 volume 0.53989E-02 ppm1 3.049 ppm2 4.671 CV 1
ASSI { 671}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HA ))
2.600 0.800 0.800 peak 671 spectrum 2 weight 0.11000E+01 volume 0.38686E-02 ppm1 3.094 ppm2 4.774 CV 1
ASSI { 677}
(( segid " " and resid 24 and name HD2 ))
(( segid " " and resid 38 and name HA ))
4.600 2.600 1.400 peak 677 spectrum 2 weight 0.11000E+01 volume 0.54436E-03 ppm1 2.823 ppm2 4.631 CV 1
OR { 677}
(( segid " " and resid 24 and name HD1 ))
(( segid " " and resid 38 and name HA ))
ASSI { 679}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 38 and name HA ))
3.300 1.300 1.300 peak 679 spectrum 2 weight 0.11000E+01 volume 0.38019E-03 ppm1 1.346 ppm2 4.606 CV 1
ASSI { 680}
(( segid " " and resid 24 and name HG2 ))
(( segid " " and resid 38 and name HA ))
5.800 4.200 0.200 peak 680 spectrum 2 weight 0.11000E+01 volume 0.19402E-03 ppm1 1.051 ppm2 4.606 CV 1
ASSI { 681}
(( segid " " and resid 27 and name HG1 ))
(( segid " " and resid 27 and name HA ))
4.700 2.800 1.300 peak 681 spectrum 2 weight 0.10000E+01 volume 0.14179E-03 ppm1 1.251 ppm2 4.608 CV 1
OR { 681}
(( segid " " and resid 27 and name HG2 ))
(( segid " " and resid 27 and name HA ))
ASSI { 684}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 27 and name HA ))
3.100 1.200 1.200 peak 684 spectrum 2 weight 0.11000E+01 volume 0.14192E-02 ppm1 1.685 ppm2 4.602 CV 1
OR { 684}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HA ))
ASSI { 686}
(( segid " " and resid 23 and name HG1 ))
(( segid " " and resid 38 and name HA ))
4.300 2.300 1.700 peak 686 spectrum 2 weight 0.11000E+01 volume 0.12845E-02 ppm1 1.774 ppm2 4.612 CV 1
ASSI { 687}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HA ))
2.700 0.900 0.900 peak 687 spectrum 2 weight 0.11000E+01 volume 0.30902E-02 ppm1 1.848 ppm2 4.605 CV 1
ASSI { 689}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HA ))
2.500 0.800 0.800 peak 689 spectrum 2 weight 0.11000E+01 volume 0.28556E-02 ppm1 2.343 ppm2 4.607 CV 1
ASSI { 696}
(( segid " " and resid 9 and name HB1 ))
(( segid " " and resid 9 and name HA ))
2.900 1.000 1.000 peak 696 spectrum 2 weight 0.11000E+01 volume 0.23338E-02 ppm1 1.892 ppm2 4.483 CV 1
ASSI { 699}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HA ))
2.600 0.800 0.800 peak 699 spectrum 2 weight 0.11000E+01 volume 0.25957E-02 ppm1 1.285 ppm2 4.408 CV 1
ASSI { 700}
(( segid " " and resid 24 and name HB1 ))
(( segid " " and resid 24 and name HA ))
3.100 1.200 1.200 peak 700 spectrum 2 weight 0.11000E+01 volume 0.22507E-02 ppm1 1.360 ppm2 4.408 CV 1
ASSI { 701}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 18 and name HA ))
3.300 1.400 1.400 peak 701 spectrum 2 weight 0.11000E+01 volume 0.13421E-02 ppm1 1.498 ppm2 4.418 CV 1
ASSI { 702}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HA ))
5.400 3.700 0.600 peak 702 spectrum 2 weight 0.11000E+01 volume 0.18194E-03 ppm1 1.358 ppm2 4.217 CV 1
ASSI { 703}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG1 ))
4.600 2.600 1.400 peak 703 spectrum 2 weight 0.11000E+01 volume 0.25554E-03 ppm1 4.216 ppm2 1.454 CV 1
ASSI { 705}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HA ))
2.600 0.800 0.800 peak 705 spectrum 2 weight 0.11000E+01 volume 0.29803E-02 ppm1 1.840 ppm2 4.217 CV 1
ASSI { 707}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HA ))
2.700 0.900 0.900 peak 707 spectrum 2 weight 0.11000E+01 volume 0.54685E-02 ppm1 1.934 ppm2 4.214 CV 1
ASSI { 716}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HA ))
2.300 0.700 0.700 peak 716 spectrum 2 weight 0.11000E+01 volume 0.71293E-02 ppm1 1.943 ppm2 4.280 CV 1
OR { 716}
(( segid " " and resid 19 and name HB1 ))
(( segid " " and resid 19 and name HA ))
ASSI { 721}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 37 and name HA ))
2.400 0.700 0.700 peak 721 spectrum 2 weight 0.11000E+01 volume 0.48409E-02 ppm1 2.339 ppm2 4.461 CV 1
OR { 721}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HA ))
ASSI { 734}
( segid " " and resid 15 and name HD1%)
( segid " " and resid 15 and name HD2%)
2.500 2.500 3.500 peak 734 spectrum 2 weight 0.10000E+01 volume 0.69711E-02 ppm1 1.015 ppm2 0.857 CV 1
ASSI { 735}
(( segid " " and resid 19 and name HG2 ))
( segid " " and resid 15 and name HD1%)
3.600 3.600 2.400 peak 735 spectrum 2 weight 0.10000E+01 volume 0.12680E-02 ppm1 1.486 ppm2 1.014 CV 1
OR { 735}
(( segid " " and resid 19 and name HG1 ))
( segid " " and resid 15 and name HD1%)
ASSI { 755}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 16 and name HA ))
3.700 3.700 2.300 peak 755 spectrum 2 weight 0.11000E+01 volume 0.17316E-02 ppm1 3.660 ppm2 4.223 CV 1
ASSI { 758}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 17 and name HA ))
3.100 1.200 1.200 peak 758 spectrum 2 weight 0.11000E+01 volume 0.16563E-02 ppm1 2.912 ppm2 4.267 CV 1
OR { 758}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 17 and name HA ))
ASSI { 762}
(( segid " " and resid 32 and name HD1 ))
(( segid " " and resid 32 and name HB1 ))
4.800 2.900 1.200 peak 762 spectrum 2 weight 0.10000E+01 volume 0.14192E-03 ppm1 1.578 ppm2 1.998 CV 1
OR { 762}
(( segid " " and resid 32 and name HD2 ))
(( segid " " and resid 32 and name HB1 ))
ASSI { 763}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 16 and name HG1 ))
3.300 3.300 2.700 peak 763 spectrum 2 weight 0.11000E+01 volume 0.11591E-02 ppm1 2.346 ppm2 1.483 CV 1
ASSI { 768}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 9 and name HD1 ))
1.800 0.400 0.400 peak 768 spectrum 2 weight 0.11000E+01 volume 0.32009E-01 ppm1 1.564 ppm2 1.682 CV 1
OR { 768}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 9 and name HD2 ))
OR { 768}
(( segid " " and resid 7 and name HD1 ))
(( segid " " and resid 9 and name HD2 ))
OR { 768}
(( segid " " and resid 7 and name HD1 ))
(( segid " " and resid 9 and name HD1 ))
ASSI { 769}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 14 and name HA ))
2.800 1.000 1.000 peak 769 spectrum 2 weight 0.11000E+01 volume 0.31489E-02 ppm1 3.517 ppm2 4.777 CV 1
OR { 769}
(( segid " " and resid 17 and name HD1 ))
(( segid " " and resid 14 and name HA ))
ASSI { 782}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 4 and name HG11))
4.400 2.400 1.600 peak 782 spectrum 2 weight 0.11000E+01 volume 0.19003E-03 ppm1 8.174 ppm2 1.187 CV 1
ASSI { 785}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 24 and name HA ))
5.200 3.300 0.800 peak 785 spectrum 2 weight 0.11000E+01 volume 0.35691E-03 ppm1 8.052 ppm2 4.426 CV 1
ASSI { 787}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 15 and name HA ))
5.000 3.200 1.000 peak 787 spectrum 2 weight 0.11000E+01 volume 0.31920E-03 ppm1 7.877 ppm2 4.099 CV 1
ASSI { 790}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 18 and name HB2 ))
4.100 2.100 1.900 peak 790 spectrum 2 weight 0.11000E+01 volume 0.14215E-03 ppm1 8.701 ppm2 2.394 CV 1
ASSI { 791}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 15 and name HD2%)
3.900 3.900 2.100 peak 791 spectrum 2 weight 0.10000E+01 volume 0.18584E-03 ppm1 8.791 ppm2 0.858 CV 1
ASSI { 794}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 13 and name HG1 ))
3.700 1.700 1.700 peak 794 spectrum 2 weight 0.11000E+01 volume 0.61419E-03 ppm1 7.974 ppm2 2.214 CV 1
OR { 794}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 13 and name HG2 ))
ASSI { 795}
(( segid " " and resid 12 and name HE ))
( segid " " and resid 10 and name HD1%)
5.100 3.200 0.900 peak 795 spectrum 2 weight 0.11000E+01 volume 0.11214E-03 ppm1 7.241 ppm2 0.935 CV 1
ASSI { 800}
(( segid " " and resid 30 and name HD21))
(( segid " " and resid 30 and name HB2 ))
4.800 2.800 1.200 peak 800 spectrum 2 weight 0.10000E+01 volume 0.12458E-03 ppm1 7.578 ppm2 2.766 CV 1
ASSI { 804}
(( segid " " and resid 34 and name HD1 ))
(( segid " " and resid 34 and name HA ))
3.000 1.200 1.200 peak 804 spectrum 2 weight 0.10000E+01 volume 0.25664E-02 ppm1 8.654 ppm2 5.325 CV 1
Contact the webmaster for help, if required. Friday, May 10, 2024 9:11:41 AM GMT (wattos1)