NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
8726 |
1mqx   |
5581 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
3.100 1.200 1.200 peak 1 weight 0.11000E+01 volume 0.48582E-02 ppm1 8.848 ppm2 4.349 CV 1
ASSI { 1}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA1 ))
3.100 1.200 1.200 peak 1 weight 0.11000E+01 volume 0.18590E-02 ppm1 8.846 ppm2 3.986 CV 1
ASSI { 2}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA2 ))
2.800 1.000 1.000 peak 2 weight 0.11000E+01 volume 0.25311E-02 ppm1 8.846 ppm2 3.940 CV 1
ASSI { 3}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB1 ))
2.900 1.000 1.000 peak 3 weight 0.11000E+01 volume 0.73919E-03 ppm1 8.846 ppm2 1.914 CV 1
ASSI { 4}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
3.100 1.200 1.200 peak 4 weight 0.11000E+01 volume 0.16138E-02 ppm1 8.824 ppm2 4.246 CV 1
ASSI { 5}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB1 ))
2.700 0.900 0.900 peak 5 weight 0.11000E+01 volume 0.31032E-02 ppm1 8.824 ppm2 2.317 CV 1
ASSI { 6}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB2 ))
2.900 1.000 1.000 peak 6 weight 0.11000E+01 volume 0.28733E-02 ppm1 8.823 ppm2 1.967 CV 1
ASSI { 7}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG1 ))
3.900 1.900 1.900 peak 7 weight 0.11000E+01 volume 0.12442E-02 ppm1 8.821 ppm2 2.221 CV 1
OR { 7}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 10}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 15 and name HB ))
4.300 2.300 1.700 peak 10 weight 0.11000E+01 volume 0.46518E-03 ppm1 8.770 ppm2 3.665 CV 1
ASSI { 15}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA2 ))
3.300 1.400 1.400 peak 15 weight 0.11000E+01 volume 0.10937E-02 ppm1 8.724 ppm2 3.979 CV 1
ASSI { 16}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA1 ))
3.800 1.800 1.800 peak 16 weight 0.11000E+01 volume 0.66113E-03 ppm1 8.720 ppm2 3.860 CV 1
ASSI { 19}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HA ))
2.800 1.000 1.000 peak 19 weight 0.11000E+01 volume 0.27854E-02 ppm1 8.573 ppm2 4.605 CV 1
ASSI { 20}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HA ))
2.700 0.900 0.900 peak 20 weight 0.11000E+01 volume 0.56880E-02 ppm1 8.574 ppm2 4.342 CV 1
ASSI { 23}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB2 ))
3.600 1.600 1.600 peak 23 weight 0.11000E+01 volume 0.31733E-02 ppm1 8.574 ppm2 2.969 CV 1
ASSI { 24}
(( segid " " and resid 3 and name HN ))
( segid " " and resid 2 and name HG2%)
5.200 3.300 0.800 peak 24 weight 0.11000E+01 volume 0.47754E-03 ppm1 8.574 ppm2 1.478 CV 1
ASSI { 27}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 13 and name HG2%)
2.700 0.900 0.900 peak 27 weight 0.11000E+01 volume 0.20391E-02 ppm1 8.466 ppm2 1.330 CV 1
ASSI { 28}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
2.800 1.000 1.000 peak 28 weight 0.11000E+01 volume 0.29590E-02 ppm1 8.390 ppm2 4.131 CV 1
ASSI { 30}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB ))
2.900 1.000 1.000 peak 30 weight 0.11000E+01 volume 0.27894E-02 ppm1 8.388 ppm2 2.031 CV 1
ASSI { 31}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 11 and name HG2%)
2.900 1.000 1.000 peak 31 weight 0.11000E+01 volume 0.33697E-02 ppm1 8.388 ppm2 0.915 CV 1
OR { 31}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 11 and name HG1%)
ASSI { 40}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
3.700 1.700 1.700 peak 40 weight 0.11000E+01 volume 0.85608E-03 ppm1 8.284 ppm2 3.913 CV 1
ASSI { 43}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA2 ))
3.200 1.300 1.300 peak 43 weight 0.11000E+01 volume 0.18369E-02 ppm1 8.278 ppm2 4.096 CV 1
ASSI { 44}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA2 ))
3.600 1.600 1.600 peak 44 weight 0.11000E+01 volume 0.86640E-03 ppm1 8.276 ppm2 3.976 CV 1
ASSI { 48}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB1 ))
3.600 1.600 1.600 peak 48 weight 0.11000E+01 volume 0.19363E-02 ppm1 8.211 ppm2 1.436 CV 1
ASSI { 49}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
2.200 0.600 0.600 peak 49 weight 0.11000E+01 volume 0.10044E-01 ppm1 8.201 ppm2 4.603 CV 1
ASSI { 51}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 15 and name HB ))
4.800 2.800 1.200 peak 51 weight 0.11000E+01 volume 0.70101E-03 ppm1 8.205 ppm2 3.661 CV 1
ASSI { 52}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB ))
3.500 1.500 1.500 peak 52 weight 0.11000E+01 volume 0.10685E-02 ppm1 8.205 ppm2 3.424 CV 1
ASSI { 53}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HG2%)
3.400 1.400 1.400 peak 53 weight 0.11000E+01 volume 0.23747E-02 ppm1 8.202 ppm2 0.554 CV 1
ASSI { 54}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB1 ))
5.200 3.400 0.800 peak 54 weight 0.11000E+01 volume 0.42083E-03 ppm1 8.199 ppm2 3.153 CV 1
ASSI { 56}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 12 and name HA ))
3.500 1.500 1.500 peak 56 weight 0.11000E+01 volume 0.78936E-03 ppm1 8.089 ppm2 4.189 CV 1
ASSI { 57}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB1 ))
3.600 1.600 1.600 peak 57 weight 0.11000E+01 volume 0.18693E-02 ppm1 8.089 ppm2 1.715 CV 1
ASSI { 59}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 14 and name HD2%)
4.000 2.000 2.000 peak 59 weight 0.11000E+01 volume 0.64808E-03 ppm1 8.087 ppm2 0.904 CV 1
OR { 59}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 14 and name HD1%)
ASSI { 60}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA2 ))
3.400 1.500 1.500 peak 60 weight 0.11000E+01 volume 0.14581E-02 ppm1 8.036 ppm2 4.091 CV 1
ASSI { 61}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA2 ))
2.700 0.900 0.900 peak 61 weight 0.11000E+01 volume 0.50405E-02 ppm1 8.035 ppm2 3.998 CV 1
OR { 61}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA1 ))
ASSI { 62}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.500 0.800 0.800 peak 62 weight 0.11000E+01 volume 0.43358E-02 ppm1 8.036 ppm2 3.915 CV 1
ASSI { 63}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA1 ))
3.200 1.300 1.300 peak 63 weight 0.11000E+01 volume 0.14230E-02 ppm1 8.037 ppm2 3.860 CV 1
ASSI { 67}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HG12))
3.200 1.300 1.300 peak 67 weight 0.11000E+01 volume 0.14698E-02 ppm1 8.036 ppm2 1.630 CV 1
OR { 67}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HG11))
OR { 67}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HG2%)
ASSI { 71}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HA ))
2.500 0.800 0.800 peak 71 weight 0.11000E+01 volume 0.78333E-02 ppm1 8.005 ppm2 4.343 CV 1
ASSI { 72}
(( segid " " and resid 2 and name HN ))
( segid " " and resid 2 and name HG2%)
3.400 1.400 1.400 peak 72 weight 0.11000E+01 volume 0.23843E-02 ppm1 8.005 ppm2 1.477 CV 1
ASSI { 74}
( segid " " and resid 3 and name HD% )
( segid " " and resid 13 and name HG2%)
4.000 2.000 2.000 peak 74 weight 0.11000E+01 volume 0.14093E-02 ppm1 7.309 ppm2 1.332 CV 1
ASSI { 82}
( segid " " and resid 3 and name HD% )
( segid " " and resid 4 and name HG2%)
3.400 1.500 1.500 peak 82 weight 0.11000E+01 volume 0.18913E-02 ppm1 7.255 ppm2 0.554 CV 1
ASSI { 83}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 3 and name HA ))
3.200 1.300 1.300 peak 83 weight 0.11000E+01 volume 0.48645E-02 ppm1 7.253 ppm2 4.604 CV 1
ASSI { 84}
(( segid " " and resid 3 and name HZ ))
( segid " " and resid 4 and name HG2%)
3.700 1.700 1.700 peak 84 weight 0.11000E+01 volume 0.10287E-02 ppm1 7.224 ppm2 0.555 CV 1
ASSI { 87}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
2.500 0.800 0.800 peak 87 weight 0.11000E+01 volume 0.51075E-02 ppm1 8.090 ppm2 4.972 CV 1
ASSI { 99}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HN ))
2.700 0.900 0.900 peak 99 weight 0.11000E+01 volume 0.23196E-02 ppm1 8.467 ppm2 8.094 CV 1
ASSI { 102}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
2.700 0.900 0.900 peak 102 weight 0.11000E+01 volume 0.31834E-02 ppm1 8.299 ppm2 6.803 CV 1
ASSI { 105}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 15 and name HN ))
4.200 2.200 1.800 peak 105 weight 0.11000E+01 volume 0.65219E-03 ppm1 8.283 ppm2 8.657 CV 1
ASSI { 107}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 15 and name HN ))
5.300 3.500 0.700 peak 107 weight 0.11000E+01 volume 0.77735E-03 ppm1 8.037 ppm2 8.655 CV 1
ASSI { 111}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 1 and name HA ))
3.100 1.200 1.200 peak 111 weight 0.11000E+01 volume 0.37481E-02 ppm1 3.077 ppm2 4.882 CV 1
ASSI { 116}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 19 and name HA ))
2.900 1.100 1.100 peak 116 weight 0.11000E+01 volume 0.97579E-02 ppm1 3.000 ppm2 3.905 CV 1
ASSI { 119}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HA ))
2.200 0.600 0.600 peak 119 weight 0.11000E+01 volume 0.88905E-02 ppm1 2.966 ppm2 4.603 CV 1
ASSI { 121}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 4 and name HA ))
4.400 2.400 1.600 peak 121 weight 0.11000E+01 volume 0.80347E-03 ppm1 2.871 ppm2 4.443 CV 1
ASSI { 123}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 15 and name HB ))
4.000 2.000 2.000 peak 123 weight 0.11000E+01 volume 0.80519E-03 ppm1 2.871 ppm2 3.662 CV 1
ASSI { 124}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 4 and name HB ))
2.600 0.800 0.800 peak 124 weight 0.11000E+01 volume 0.57582E-02 ppm1 2.870 ppm2 3.423 CV 1
ASSI { 125}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 4 and name HA ))
4.100 2.100 1.900 peak 125 weight 0.11000E+01 volume 0.66973E-03 ppm1 2.798 ppm2 4.443 CV 1
ASSI { 126}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HA ))
2.100 0.600 0.600 peak 126 weight 0.11000E+01 volume 0.63443E-02 ppm1 2.794 ppm2 4.189 CV 1
ASSI { 127}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 15 and name HB ))
3.200 1.300 1.300 peak 127 weight 0.11000E+01 volume 0.27793E-02 ppm1 2.795 ppm2 3.662 CV 1
ASSI { 129}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 1 and name HA ))
2.800 1.000 1.000 peak 129 weight 0.11000E+01 volume 0.34615E-02 ppm1 2.611 ppm2 4.880 CV 1
ASSI { 131}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HA ))
2.900 1.100 1.100 peak 131 weight 0.11000E+01 volume 0.46301E-02 ppm1 2.317 ppm2 4.245 CV 1
ASSI { 134}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HA ))
2.500 0.800 0.800 peak 134 weight 0.11000E+01 volume 0.50762E-02 ppm1 2.165 ppm2 4.348 CV 1
ASSI { 135}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HD2 ))
3.700 1.700 1.700 peak 135 weight 0.11000E+01 volume 0.22052E-02 ppm1 2.168 ppm2 3.661 CV 1
OR { 135}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HD1 ))
ASSI { 137}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 11 and name HA ))
3.000 1.100 1.100 peak 137 weight 0.11000E+01 volume 0.23980E-02 ppm1 2.033 ppm2 4.128 CV 1
ASSI { 140}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 7 and name HA1 ))
6.000 4.700 0.000 peak 140 weight 0.11000E+01 volume 0.45727E-03 ppm1 1.910 ppm2 3.993 CV 1
ASSI { 142}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HA ))
4.700 2.800 1.300 peak 142 weight 0.11000E+01 volume 0.69998E-03 ppm1 1.787 ppm2 4.346 CV 1
ASSI { 143}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 12 and name HA ))
4.300 2.300 1.700 peak 143 weight 0.11000E+01 volume 0.10459E-02 ppm1 1.789 ppm2 4.188 CV 1
ASSI { 145}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HA ))
2.900 1.000 1.000 peak 145 weight 0.11000E+01 volume 0.24554E-02 ppm1 1.717 ppm2 4.970 CV 1
ASSI { 148}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 6 and name HD1 ))
4.300 2.300 1.700 peak 148 weight 0.11000E+01 volume 0.70926E-03 ppm1 1.572 ppm2 3.661 CV 1
OR { 148}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 6 and name HD2 ))
ASSI { 149}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 2 and name HB ))
2.300 0.700 0.700 peak 149 weight 0.11000E+01 volume 0.94332E-02 ppm1 1.486 ppm2 3.431 CV 1
ASSI { 150}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 2 and name HA ))
2.600 0.800 0.800 peak 150 weight 0.11000E+01 volume 0.71546E-02 ppm1 1.478 ppm2 4.341 CV 1
ASSI { 151}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HA ))
2.900 1.100 1.100 peak 151 weight 0.11000E+01 volume 0.47521E-02 ppm1 1.470 ppm2 4.969 CV 1
ASSI { 153}
(( segid " " and resid 5 and name HB1 ))
(( segid " " and resid 6 and name HD1 ))
3.800 1.800 1.800 peak 153 weight 0.11000E+01 volume 0.26222E-02 ppm1 1.439 ppm2 3.662 CV 1
OR { 153}
(( segid " " and resid 5 and name HB1 ))
(( segid " " and resid 6 and name HD2 ))
ASSI { 155}
( segid " " and resid 15 and name HG2%)
(( segid " " and resid 15 and name HA ))
2.500 0.800 0.800 peak 155 weight 0.11000E+01 volume 0.82924E-02 ppm1 1.382 ppm2 5.004 CV 1
ASSI { 160}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 19 and name HA ))
3.300 1.300 1.300 peak 160 weight 0.11000E+01 volume 0.16396E-02 ppm1 1.257 ppm2 3.915 CV 1
OR { 160}
(( segid " " and resid 19 and name HG12))
(( segid " " and resid 19 and name HA ))
OR { 160}
(( segid " " and resid 19 and name HG11))
(( segid " " and resid 19 and name HA ))
ASSI { 161}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 14 and name HA ))
3.200 1.300 1.300 peak 161 weight 0.11000E+01 volume 0.35708E-02 ppm1 0.951 ppm2 4.971 CV 1
ASSI { 162}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 17 and name HA ))
4.300 2.300 1.700 peak 162 weight 0.11000E+01 volume 0.11064E-02 ppm1 0.930 ppm2 4.235 CV 1
OR { 162}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 17 and name HA ))
ASSI { 163}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 14 and name HA ))
3.100 1.200 1.200 peak 163 weight 0.11000E+01 volume 0.27896E-02 ppm1 0.922 ppm2 4.971 CV 1
ASSI { 164}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 10 and name HA1 ))
4.600 2.600 1.400 peak 164 weight 0.11000E+01 volume 0.53152E-03 ppm1 0.922 ppm2 4.000 CV 1
OR { 164}
( segid " " and resid 11 and name HG1%)
(( segid " " and resid 10 and name HA2 ))
OR { 164}
( segid " " and resid 11 and name HG1%)
(( segid " " and resid 10 and name HA1 ))
ASSI { 166}
( segid " " and resid 11 and name HG1%)
(( segid " " and resid 12 and name HA ))
4.700 2.800 1.300 peak 166 weight 0.11000E+01 volume 0.54321E-03 ppm1 0.911 ppm2 4.186 CV 1
OR { 166}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 12 and name HA ))
ASSI { 169}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 5 and name HA ))
3.000 1.100 1.100 peak 169 weight 0.11000E+01 volume 0.52601E-02 ppm1 0.869 ppm2 4.841 CV 1
ASSI { 174}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HA ))
2.400 0.700 0.700 peak 174 weight 0.11000E+01 volume 0.71030E-02 ppm1 0.556 ppm2 4.441 CV 1
ASSI { 177}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 13 and name HA ))
4.100 2.100 1.900 peak 177 weight 0.11000E+01 volume 0.49466E-02 ppm1 3.902 ppm2 4.719 CV 1
ASSI { 179}
(( segid " " and resid 15 and name HB ))
(( segid " " and resid 15 and name HA ))
2.500 0.800 0.800 peak 179 weight 0.11000E+01 volume 0.64120E-02 ppm1 3.654 ppm2 5.006 CV 1
ASSI { 182}
(( segid " " and resid 6 and name HD1 ))
(( segid " " and resid 12 and name HA ))
4.000 2.000 2.000 peak 182 weight 0.10000E+01 volume 0.85332E-03 ppm1 3.661 ppm2 4.191 CV 1
OR { 182}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 12 and name HA ))
ASSI { 183}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HA ))
2.400 0.700 0.700 peak 183 weight 0.11000E+01 volume 0.80405E-02 ppm1 3.424 ppm2 4.441 CV 1
ASSI { 184}
(( segid " " and resid 2 and name HB ))
(( segid " " and resid 2 and name HA ))
2.400 0.700 0.700 peak 184 weight 0.11000E+01 volume 0.79982E-02 ppm1 3.434 ppm2 4.342 CV 1
ASSI { 189}
(( segid " " and resid 8 and name HA1 ))
(( segid " " and resid 8 and name HA2 ))
2.000 0.500 0.500 peak 189 weight 0.11000E+01 volume 0.10709E-01 ppm1 3.852 ppm2 3.994 CV 1
ASSI { 190}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HB1 ))
1.300 0.200 0.900 peak 190 weight 0.11000E+01 volume 0.52125E-01 ppm1 2.989 ppm2 3.252 CV 1
ASSI { 191}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HB1 ))
1.500 0.300 0.700 peak 191 weight 0.11000E+01 volume 0.45245E-01 ppm1 2.967 ppm2 3.145 CV 1
ASSI { 195}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HG1 ))
2.100 0.600 0.600 peak 195 weight 0.11000E+01 volume 0.25856E-01 ppm1 1.964 ppm2 2.225 CV 1
OR { 195}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 197}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HB2 ))
1.500 0.300 0.700 peak 197 weight 0.11000E+01 volume 0.36579E-01 ppm1 1.911 ppm2 2.164 CV 1
ASSI { 199}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 1 and name HB1 ))
2.600 0.800 0.800 peak 199 weight 0.11000E+01 volume 0.63274E-02 ppm1 1.478 ppm2 3.056 CV 1
ASSI { 200}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 1 and name HB2 ))
3.900 1.900 1.900 peak 200 weight 0.11000E+01 volume 0.11875E-02 ppm1 1.478 ppm2 2.601 CV 1
ASSI { 201}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 11 and name HB ))
3.600 1.700 1.700 peak 201 weight 0.11000E+01 volume 0.14430E-02 ppm1 1.474 ppm2 2.031 CV 1
ASSI { 204}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 11 and name HB ))
2.100 0.500 0.500 peak 204 weight 0.11000E+01 volume 0.15482E-01 ppm1 0.921 ppm2 2.031 CV 1
ASSI { 206}
( segid " " and resid 11 and name HG1%)
(( segid " " and resid 11 and name HB ))
2.200 0.600 0.600 peak 206 weight 0.11000E+01 volume 0.12908E-01 ppm1 0.898 ppm2 2.031 CV 1
ASSI { 207}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 12 and name HB1 ))
4.300 2.300 1.700 peak 207 weight 0.11000E+01 volume 0.10307E-02 ppm1 0.558 ppm2 2.794 CV 1
ASSI { 208}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 12 and name HB2 ))
4.100 2.100 1.900 peak 208 weight 0.11000E+01 volume 0.11710E-02 ppm1 0.556 ppm2 2.870 CV 1
ASSI { 209}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HG2 ))
1.500 0.300 0.700 peak 209 weight 0.11000E+01 volume 0.32633E-01 ppm1 1.790 ppm2 1.910 CV 1
ASSI { 210}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 11 and name HB ))
3.600 1.700 1.700 peak 210 weight 0.11000E+01 volume 0.14220E-02 ppm1 1.719 ppm2 2.032 CV 1
ASSI { 211}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HB1 ))
1.600 0.300 0.600 peak 211 weight 0.11000E+01 volume 0.35205E-01 ppm1 1.472 ppm2 1.714 CV 1
ASSI { 212}
( segid " " and resid 15 and name HG2%)
(( segid " " and resid 14 and name HB1 ))
4.000 2.000 2.000 peak 212 weight 0.11000E+01 volume 0.12480E-02 ppm1 1.384 ppm2 1.715 CV 1
ASSI { 213}
(( segid " " and resid 19 and name HG12))
(( segid " " and resid 19 and name HG11))
1.800 0.400 0.400 peak 213 weight 0.11000E+01 volume 0.15564E-01 ppm1 1.248 ppm2 1.630 CV 1
ASSI { 214}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 14 and name HB1 ))
3.000 1.100 1.100 peak 214 weight 0.11000E+01 volume 0.32757E-02 ppm1 0.922 ppm2 1.715 CV 1
OR { 214}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 14 and name HB1 ))
ASSI { 215}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 19 and name HG11))
2.600 0.800 0.800 peak 215 weight 0.11000E+01 volume 0.81768E-02 ppm1 0.909 ppm2 1.624 CV 1
ASSI { 216}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HB2 ))
2.700 0.900 0.900 peak 216 weight 0.11000E+01 volume 0.48659E-02 ppm1 0.861 ppm2 1.572 CV 1
OR { 216}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 5 and name HB2 ))
ASSI { 217}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 5 and name HB1 ))
2.200 0.600 0.600 peak 217 weight 0.11000E+01 volume 0.16970E-01 ppm1 0.854 ppm2 1.432 CV 1
OR { 217}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HB1 ))
ASSI { 219}
( segid " " and resid 4 and name HG2%)
( segid " " and resid 13 and name HG2%)
3.900 1.900 1.900 peak 219 weight 0.11000E+01 volume 0.21182E-02 ppm1 0.555 ppm2 1.331 CV 1
ASSI { 221}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB1 ))
1.900 0.500 0.500 peak 221 weight 0.11000E+01 volume 0.35581E-01 ppm1 2.229 ppm2 2.313 CV 1
OR { 221}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HB1 ))
ASSI { 222}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
3.200 1.300 1.300 peak 222 weight 0.11000E+01 volume 0.12349E-02 ppm1 8.344 ppm2 4.792 CV 1
ASSI { 223}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB ))
3.700 1.700 1.700 peak 223 weight 0.11000E+01 volume 0.40500E-03 ppm1 8.654 ppm2 3.664 CV 1
ASSI { 224}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 4 and name HB ))
4.500 2.500 1.500 peak 224 weight 0.11000E+01 volume 0.34208E-03 ppm1 8.766 ppm2 3.421 CV 1
ASSI { 225}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB2 ))
4.100 2.100 1.900 peak 225 weight 0.11000E+01 volume 0.54459E-03 ppm1 8.471 ppm2 2.867 CV 1
ASSI { 227}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 12 and name HB1 ))
4.700 2.700 1.300 peak 227 weight 0.11000E+01 volume 0.29669E-03 ppm1 8.207 ppm2 2.787 CV 1
ASSI { 229}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB ))
4.700 2.800 1.300 peak 229 weight 0.11000E+01 volume 0.37028E-03 ppm1 8.004 ppm2 3.434 CV 1
ASSI { 230}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 6 and name HG2 ))
4.100 2.100 1.900 peak 230 weight 0.10000E+01 volume 0.57587E-03 ppm1 8.036 ppm2 1.911 CV 1
ASSI { 231}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 11 and name HB ))
4.100 2.100 1.900 peak 231 weight 0.11000E+01 volume 0.37338E-03 ppm1 8.095 ppm2 2.027 CV 1
! ASSI { 233}
! (( segid " " and resid 11 and name HN ))
! (( segid " " and resid 14 and name HB1 ))
! 4.700 2.700 1.300 peak 233 weight 0.11000E+01 volume 0.39950E-03 ppm1 8.384 ppm2 1.716 CV 1
ASSI { 237}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 6 and name HG1 ))
5.000 3.100 1.000 peak 237 weight 0.10000E+01 volume 0.34827E-03 ppm1 8.769 ppm2 1.799 CV 1
ASSI { 242}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB1 ))
4.300 2.300 1.700 peak 242 weight 0.11000E+01 volume 0.48510E-03 ppm1 8.824 ppm2 5.640 CV 1
ASSI { 249}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 4 and name HA ))
4.800 2.900 1.200 peak 249 weight 0.11000E+01 volume 0.34552E-03 ppm1 7.255 ppm2 4.440 CV 1
ASSI { 255}
(( segid " " and resid 15 and name HB ))
(( segid " " and resid 16 and name HB2 ))
4.700 2.800 1.300 peak 255 weight 0.11000E+01 volume 0.58172E-03 ppm1 3.651 ppm2 5.237 CV 1
ASSI { 256}
( segid " " and resid 15 and name HG2%)
(( segid " " and resid 16 and name HB2 ))
4.400 2.400 1.600 peak 256 weight 0.11000E+01 volume 0.11782E-02 ppm1 1.381 ppm2 5.517 CV 1
ASSI { 259}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 12 and name HB2 ))
4.600 2.700 1.400 peak 259 weight 0.11000E+01 volume 0.43456E-03 ppm1 1.334 ppm2 2.875 CV 1
ASSI { 262}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 12 and name HA ))
3.800 1.800 1.800 peak 262 weight 0.11000E+01 volume 0.58688E-03 ppm1 0.559 ppm2 4.186 CV 1
ASSI { 263}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 3 and name HA ))
4.700 2.800 1.300 peak 263 weight 0.11000E+01 volume 0.46896E-03 ppm1 0.559 ppm2 4.607 CV 1
ASSI { 264}
( segid " " and resid 11 and name HG1%)
(( segid " " and resid 4 and name HA ))
5.000 3.100 1.000 peak 264 weight 0.11000E+01 volume 0.45451E-03 ppm1 0.868 ppm2 4.450 CV 1
OR { 264}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 4 and name HA ))
ASSI { 265}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 12 and name HA ))
4.700 2.800 1.300 peak 265 weight 0.11000E+01 volume 0.50746E-03 ppm1 1.334 ppm2 4.189 CV 1
ASSI { 266}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 11 and name HA ))
5.600 3.900 0.400 peak 266 weight 0.11000E+01 volume 0.30633E-03 ppm1 2.166 ppm2 4.126 CV 1
ASSI { 269}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HB2 ))
1.300 0.200 0.900 peak 269 weight 0.11000E+01 volume 0.55737E-01 ppm1 2.795 ppm2 2.867 CV 1
ASSI { 272}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HB2 ))
1.800 0.400 0.400 peak 272 weight 0.11000E+01 volume 0.30471E-01 ppm1 5.640 ppm2 5.237 CV 1
ASSI { 276}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HB1 ))
4.400 2.400 1.600 peak 276 weight 0.10000E+01 volume 0.32077E-03 ppm1 8.008 ppm2 3.064 CV 1
ASSI { 277}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 12 and name HB2 ))
5.200 3.400 0.800 peak 277 weight 0.11000E+01 volume 0.33726E-03 ppm1 8.207 ppm2 2.867 CV 1
ASSI { 278}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG1 ))
5.200 3.400 0.800 peak 278 weight 0.11000E+01 volume 0.22038E-03 ppm1 8.327 ppm2 2.234 CV 1
OR { 278}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 279}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HB2 ))
2.900 1.100 1.100 peak 279 weight 0.11000E+01 volume 0.55446E-02 ppm1 1.788 ppm2 2.163 CV 1
ASSI { 3}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB2 ))
2.600 0.900 0.900 peak 3 weight 0.11000E+01 volume 0.89476E-03 ppm1 8.846 ppm2 1.914 CV 1
ASSI { 8}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
2.500 0.800 0.800 peak 8 weight 0.11000E+01 volume 0.22010E-02 ppm1 8.771 ppm2 4.190 CV 1
ASSI { 9}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
2.000 0.500 0.500 peak 9 weight 0.11000E+01 volume 0.10506E-01 ppm1 8.770 ppm2 4.129 CV 1
ASSI { 11}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB2 ))
3.000 1.100 1.100 peak 11 weight 0.11000E+01 volume 0.38203E-02 ppm1 8.769 ppm2 2.868 CV 1
ASSI { 12}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB1 ))
1.900 0.400 0.400 peak 12 weight 0.11000E+01 volume 0.52519E-02 ppm1 8.770 ppm2 2.793 CV 1
ASSI { 14}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 11 and name HG1%)
2.600 0.800 0.800 peak 14 weight 0.11000E+01 volume 0.24969E-02 ppm1 8.770 ppm2 0.899 CV 1
OR { 14}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 11 and name HG2%)
ASSI { 21}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB ))
2.000 0.500 0.500 peak 21 weight 0.11000E+01 volume 0.67799E-02 ppm1 8.574 ppm2 3.434 CV 1
ASSI { 22}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB1 ))
! 2.300 0.600 0.600 peak 22 weight 0.11000E+01 volume 0.44988E-02 ppm1 8.574 ppm2 3.149 CV 1
!set the same as 3.hn/3.hb2
3.600 1.600 1.600 peak 22 weight 0.11000E+01 volume 0.44988E-02 ppm1 8.574 ppm2 3.149 CV 1
ASSI { 25}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB1 ))
4.700 2.800 1.300 peak 25 weight 0.11000E+01 volume 0.71638E-03 ppm1 8.469 ppm2 2.792 CV 1
ASSI { 26}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
2.000 0.500 0.500 peak 26 weight 0.11000E+01 volume 0.77142E-02 ppm1 8.467 ppm2 4.190 CV 1
ASSI { 29}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA2 ))
2.600 0.800 0.800 peak 29 weight 0.11000E+01 volume 0.62059E-02 ppm1 8.387 ppm2 3.999 CV 1
OR { 29}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA1 ))
ASSI { 32}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
3.800 1.800 1.800 peak 32 weight 0.11000E+01 volume 0.11615E-02 ppm1 8.337 ppm2 4.247 CV 1
ASSI { 33}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.800 1.000 1.000 peak 33 weight 0.11000E+01 volume 0.10907E-02 ppm1 8.337 ppm2 2.992 CV 1
ASSI { 34}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB1 ))
3.800 1.800 1.800 peak 34 weight 0.11000E+01 volume 0.67087E-03 ppm1 8.336 ppm2 2.313 CV 1
ASSI { 35}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB1 ))
3.400 1.400 1.400 peak 35 weight 0.11000E+01 volume 0.34433E-02 ppm1 8.331 ppm2 3.252 CV 1
ASSI { 36}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB2 ))
4.700 2.700 1.300 peak 36 weight 0.11000E+01 volume 0.69191E-03 ppm1 8.327 ppm2 1.961 CV 1
ASSI { 38}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 18 and name HB1 ))
5.100 3.200 0.900 peak 38 weight 0.11000E+01 volume 0.75163E-03 ppm1 8.294 ppm2 3.251 CV 1
ASSI { 39}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB ))
2.800 1.000 1.000 peak 39 weight 0.11000E+01 volume 0.30932E-02 ppm1 8.292 ppm2 2.112 CV 1
ASSI { 46}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 5 and name HD2%)
3.500 1.600 1.600 peak 46 weight 0.11000E+01 volume 0.11144E-02 ppm1 8.212 ppm2 0.866 CV 1
OR { 46}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 5 and name HD1%)
ASSI { 47}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HG ))
2.700 0.900 0.900 peak 47 weight 0.11000E+01 volume 0.40516E-02 ppm1 8.210 ppm2 1.573 CV 1
ASSI { 50}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
2.500 0.800 0.800 peak 50 weight 0.11000E+01 volume 0.37433E-02 ppm1 8.205 ppm2 4.441 CV 1
ASSI { 58}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB2 ))
2.700 0.900 0.900 peak 58 weight 0.11000E+01 volume 0.28481E-02 ppm1 8.089 ppm2 1.472 CV 1
ASSI { 64}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB1 ))
2.100 0.600 0.600 peak 64 weight 0.11000E+01 volume 0.56393E-02 ppm1 8.036 ppm2 3.252 CV 1
ASSI { 65}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
1.700 0.400 0.500 peak 65 weight 0.11000E+01 volume 0.51022E-02 ppm1 8.037 ppm2 2.995 CV 1
ASSI { 66}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB ))
2.500 0.800 0.800 peak 66 weight 0.11000E+01 volume 0.37859E-02 ppm1 8.036 ppm2 2.111 CV 1
ASSI { 75}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 3 and name HA ))
5.500 3.700 0.500 peak 75 weight 0.11000E+01 volume 0.97682E-03 ppm1 7.303 ppm2 4.605 CV 1
ASSI { 77}
( segid " " and resid 3 and name HE% )
( segid " " and resid 4 and name HG2%)
3.100 1.200 1.200 peak 77 weight 0.11000E+01 volume 0.21968E-02 ppm1 7.308 ppm2 0.553 CV 1
ASSI { 85}
(( segid " " and resid 3 and name HZ ))
( segid " " and resid 13 and name HG2%)
4.300 2.300 1.700 peak 85 weight 0.11000E+01 volume 0.11015E-02 ppm1 7.219 ppm2 1.330 CV 1
ASSI { 88}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
2.300 0.700 0.700 peak 88 weight 0.11000E+01 volume 0.16738E-02 ppm1 8.090 ppm2 4.720 CV 1
ASSI { 89}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
2.600 0.800 0.800 peak 89 weight 0.11000E+01 volume 0.17864E-02 ppm1 8.459 ppm2 4.721 CV 1
ASSI { 91}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 16 and name HB1 ))
3.700 1.700 1.700 peak 91 weight 0.11000E+01 volume 0.89844E-03 ppm1 6.803 ppm2 5.640 CV 1
ASSI { 93}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 15 and name HB ))
4.200 2.200 1.800 peak 93 weight 0.11000E+01 volume 0.88897E-03 ppm1 6.803 ppm2 3.655 CV 1
ASSI { 95}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 16 and name HB2 ))
2.300 0.700 0.700 peak 95 weight 0.11000E+01 volume 0.15880E-02 ppm1 6.798 ppm2 5.236 CV 1
ASSI { 96}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
2.100 0.500 0.500 peak 96 weight 0.11000E+01 volume 0.31170E-02 ppm1 8.824 ppm2 8.338 CV 1
ASSI { 101}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 3 and name HD% )
3.200 1.300 1.300 peak 101 weight 0.11000E+01 volume 0.94422E-03 ppm1 8.208 ppm2 7.256 CV 1
ASSI { 108}
(( segid " " and resid 3 and name HB1 ))
(( segid " " and resid 3 and name HA ))
2.900 1.000 1.000 peak 108 weight 0.11000E+01 volume 0.34073E-02 ppm1 3.162 ppm2 4.600 CV 1
ASSI { 115}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HA ))
2.900 1.000 1.000 peak 115 weight 0.11000E+01 volume 0.43049E-02 ppm1 3.000 ppm2 4.784 CV 1
ASSI { 122}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HA ))
2.200 0.600 0.600 peak 122 weight 0.11000E+01 volume 0.42615E-02 ppm1 2.869 ppm2 4.187 CV 1
ASSI { 128}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 4 and name HB ))
2.300 0.600 0.600 peak 128 weight 0.11000E+01 volume 0.54499E-02 ppm1 2.795 ppm2 3.423 CV 1
ASSI { 134}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HA ))
2.500 0.800 0.800 peak 134 weight 0.11000E+01 volume 0.58804E-02 ppm1 2.165 ppm2 4.348 CV 1
ASSI { 135}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HD1 ))
3.800 1.800 1.800 peak 135 weight 0.11000E+01 volume 0.26059E-02 ppm1 2.168 ppm2 3.661 CV 1
OR { 135}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HD2 ))
ASSI { 136}
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 19 and name HA ))
3.400 1.400 1.400 peak 136 weight 0.11000E+01 volume 0.14670E-02 ppm1 2.117 ppm2 3.910 CV 1
ASSI { 138}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HA ))
3.000 1.100 1.100 peak 138 weight 0.11000E+01 volume 0.26954E-02 ppm1 1.966 ppm2 4.242 CV 1
ASSI { 144}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HD1 ))
2.300 0.600 0.600 peak 144 weight 0.11000E+01 volume 0.68047E-02 ppm1 1.790 ppm2 3.661 CV 1
OR { 144}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HD2 ))
ASSI { 152}
(( segid " " and resid 5 and name HB1 ))
(( segid " " and resid 5 and name HA ))
2.500 0.800 0.800 peak 152 weight 0.11000E+01 volume 0.49894E-02 ppm1 1.438 ppm2 4.841 CV 1
ASSI { 154}
( segid " " and resid 15 and name HG2%)
(( segid " " and resid 15 and name HB ))
2.200 0.600 0.600 peak 154 weight 0.11000E+01 volume 0.13667E-01 ppm1 1.382 ppm2 3.655 CV 1
ASSI { 159}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 13 and name HB ))
2.300 0.700 0.700 peak 159 weight 0.11000E+01 volume 0.12500E-01 ppm1 1.328 ppm2 3.904 CV 1
ASSI { 165}
( segid " " and resid 11 and name HG1%)
(( segid " " and resid 11 and name HA ))
2.300 0.700 0.700 peak 165 weight 0.11000E+01 volume 0.72673E-02 ppm1 0.914 ppm2 4.129 CV 1
OR { 165}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 11 and name HA ))
ASSI { 173}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HB ))
2.400 0.700 0.700 peak 173 weight 0.11000E+01 volume 0.80889E-02 ppm1 0.558 ppm2 3.421 CV 1
ASSI { 185}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 12 and name HA ))
2.900 1.100 1.100 peak 185 weight 0.11000E+01 volume 0.11618E-02 ppm1 3.427 ppm2 4.191 CV 1
ASSI { 186}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 18 and name HA ))
2.900 1.100 1.100 peak 186 weight 0.11000E+01 volume 0.18797E-02 ppm1 3.254 ppm2 4.782 CV 1
ASSI { 187}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 19 and name HA ))
3.400 1.400 1.400 peak 187 weight 0.11000E+01 volume 0.40709E-02 ppm1 3.253 ppm2 3.905 CV 1
ASSI { 188}
(( segid " " and resid 9 and name HA1 ))
(( segid " " and resid 9 and name HA2 ))
1.800 0.400 0.400 peak 188 weight 0.11000E+01 volume 0.15476E-01 ppm1 3.862 ppm2 4.085 CV 1
ASSI { 192}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 1 and name HB1 ))
1.600 0.300 0.600 peak 192 weight 0.11000E+01 volume 0.27203E-01 ppm1 2.609 ppm2 3.056 CV 1
ASSI { 196}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HB1 ))
1.800 0.400 0.400 peak 196 weight 0.11000E+01 volume 0.98463E-02 ppm1 1.957 ppm2 2.313 CV 1
ASSI { 202}
(( segid " " and resid 19 and name HG12))
(( segid " " and resid 18 and name HB2 ))
4.100 2.100 1.900 peak 202 weight 0.11000E+01 volume 0.15638E-02 ppm1 1.329 ppm2 2.993 CV 1
OR { 202}
(( segid " " and resid 19 and name HG11))
(( segid " " and resid 18 and name HB2 ))
OR { 202}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 18 and name HB2 ))
ASSI { 203}
(( segid " " and resid 19 and name HG12))
(( segid " " and resid 19 and name HB ))
3.200 1.300 1.300 peak 203 weight 0.11000E+01 volume 0.11626E-02 ppm1 1.261 ppm2 2.104 CV 1
ASSI { 226}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB2 ))
3.400 1.400 1.400 peak 226 weight 0.11000E+01 volume 0.53223E-03 ppm1 8.204 ppm2 2.967 CV 1
ASSI { 234}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB1 ))
4.700 2.800 1.300 peak 234 weight 0.11000E+01 volume 0.42040E-03 ppm1 8.661 ppm2 1.723 CV 1
ASSI { 235}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB2 ))
3.900 1.900 1.900 peak 235 weight 0.10000E+01 volume 0.34279E-03 ppm1 8.654 ppm2 1.460 CV 1
ASSI { 238}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 6 and name HG2 ))
5.200 3.300 0.800 peak 238 weight 0.10000E+01 volume 0.33438E-03 ppm1 8.767 ppm2 1.914 CV 1
ASSI { 240}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HB2 ))
5.700 4.100 0.300 peak 240 weight 0.11000E+01 volume 0.35332E-03 ppm1 8.652 ppm2 2.991 CV 1
ASSI { 246}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HN ))
5.000 3.100 1.000 peak 246 weight 0.11000E+01 volume 0.42067E-03 ppm1 8.395 ppm2 8.783 CV 1
ASSI { 248}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HN ))
3.700 1.700 1.700 peak 248 weight 0.11000E+01 volume 0.68690E-03 ppm1 8.326 ppm2 8.037 CV 1
ASSI { 250}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 2 and name HB ))
4.100 2.100 1.900 peak 250 weight 0.11000E+01 volume 0.47672E-03 ppm1 7.253 ppm2 3.417 CV 1
ASSI { 251}
( segid " " and resid 3 and name HE% )
(( segid " " and resid 2 and name HB ))
3.000 1.200 1.200 peak 251 weight 0.11000E+01 volume 0.32570E-03 ppm1 7.303 ppm2 3.423 CV 1
ASSI { 258}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 18 and name HB1 ))
3.600 1.600 1.600 peak 258 weight 0.11000E+01 volume 0.63692E-03 ppm1 1.338 ppm2 3.254 CV 1
ASSI { 260}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 12 and name HB1 ))
6.000 4.500 0.000 peak 260 weight 0.11000E+01 volume 0.49775E-03 ppm1 1.339 ppm2 2.802 CV 1
ASSI { 266}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 11 and name HA ))
5.600 3.900 0.400 peak 266 weight 0.11000E+01 volume 0.59431E-03 ppm1 2.166 ppm2 4.126 CV 1
ASSI { 270}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 3 and name HA ))
5.900 4.400 0.100 peak 270 weight 0.11000E+01 volume 0.50143E-03 ppm1 1.488 ppm2 4.612 CV 1
ASSI { 271}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 3 and name HA ))
5.700 4.100 0.300 peak 271 weight 0.11000E+01 volume 0.41884E-03 ppm1 3.433 ppm2 4.601 CV 1
ASSI { 279}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HB1 ))
2.900 1.100 1.100 peak 279 weight 0.11000E+01 volume 0.50908E-02 ppm1 1.788 ppm2 2.163 CV 1
Contact the webmaster for help, if required. Sunday, April 28, 2024 6:57:27 AM GMT (wattos1)