NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
|
|
7421 |
1kik   |
cing | recoord | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 23}
((resid 97 and name HE1 ))
((resid 97 and name HZ2 ))
2.500 0.800 0.800 peak 23 weight 0.10000E+01 volume 0.38350E-02 ppm1 9.963 ppm2 7.393 CV 1
ASSI { 24}
((resid 97 and name HE1 ))
((resid 97 and name HH2 ))
4.400 2.500 1.600 peak 24 weight 0.10000E+01 volume 0.13264E-03 ppm1 9.963 ppm2 7.250 CV 1
ASSI { 26}
((resid 97 and name HE1 ))
((resid 97 and name HD1 ))
2.100 0.500 0.500 peak 26 weight 0.10000E+01 volume 0.12358E-01 ppm1 9.964 ppm2 7.082 CV 1
ASSI { 28}
((resid 97 and name HE1 ))
((resid 96 and name HB3 ))
3.600 1.700 1.700 peak 28 weight 0.10000E+01 volume 0.42928E-03 ppm1 9.965 ppm2 1.725 CV 1
ASSI { 37}
((resid 111 and name HN ))
( resid 110 and name HD% )
3.300 1.300 1.300 peak 37 weight 0.10000E+01 volume 0.84382E-03 ppm1 9.568 ppm2 7.158 CV 1
ASSI { 43}
((resid 111 and name HN ))
((resid 110 and name HB2 ))
3.100 1.200 1.200 peak 43 weight 0.10000E+01 volume 0.10316E-02 ppm1 9.571 ppm2 3.137 CV 1
ASSI { 51}
((resid 98 and name HE1 ))
((resid 98 and name HZ2 ))
3.000 1.100 1.100 peak 51 weight 0.10000E+01 volume 0.14568E-02 ppm1 9.532 ppm2 7.403 CV 1
ASSI { 53}
((resid 98 and name HE1 ))
((resid 98 and name HD1 ))
2.100 0.600 0.600 peak 53 weight 0.10000E+01 volume 0.10538E-01 ppm1 9.528 ppm2 6.883 CV 1
ASSI { 55}
((resid 98 and name HE1 ))
((resid 95 and name HA1 ))
3.400 1.500 1.500 peak 55 weight 0.10000E+01 volume 0.59922E-03 ppm1 9.529 ppm2 3.784 CV 1
ASSI { 57}
((resid 98 and name HE1 ))
((resid 93 and name HB3 ))
3.800 1.800 1.800 peak 57 weight 0.10000E+01 volume 0.33655E-03 ppm1 9.530 ppm2 1.149 CV 1
ASSI { 58}
((resid 98 and name HE1 ))
((resid 113 and name HB2 ))
3.400 1.500 1.500 peak 58 weight 0.10000E+01 volume 0.60795E-03 ppm1 9.529 ppm2 1.094 CV 1
ASSI { 60}
((resid 98 and name HE1 ))
((resid 98 and name HE3 ))
3.700 1.700 1.700 peak 60 weight 0.10000E+01 volume 0.38467E-03 ppm1 9.530 ppm2 7.201 CV 1
ASSI { 63}
((resid 98 and name HE1 ))
((resid 93 and name HG3 ))
3.900 1.900 1.900 peak 63 weight 0.10000E+01 volume 0.27943E-03 ppm1 9.531 ppm2 0.968 CV 1
ASSI { 66}
((resid 69 and name HN ))
((resid 117 and name HN ))
4.400 2.100 1.900 peak 66 weight 0.10000E+01 volume 0.20443E-03 ppm1 9.448 ppm2 8.540 CV 1
ASSI { 68}
((resid 69 and name HN ))
((resid 116 and name HA ))
2.700 0.900 0.900 peak 68 weight 0.10000E+01 volume 0.23469E-02 ppm1 9.446 ppm2 5.243 CV 1
ASSI { 69}
((resid 69 and name HN ))
((resid 68 and name HA ))
2.200 0.600 0.600 peak 69 weight 0.10000E+01 volume 0.92794E-02 ppm1 9.445 ppm2 4.527 CV 1
ASSI { 75}
((resid 69 and name HN ))
( resid 69 and name HD2%)
2.900 1.000 1.000 peak 75 weight 0.10000E+01 volume 0.18364E-02 ppm1 9.445 ppm2 0.662 CV 1
ASSI { 82}
((resid 100 and name HN ))
((resid 99 and name HB2 ))
3.700 1.700 1.700 peak 82 weight 0.10000E+01 volume 0.37274E-03 ppm1 9.400 ppm2 1.560 CV 1
ASSI { 84}
((resid 100 and name HN ))
((resid 99 and name HD2 ))
3.000 1.100 1.100 peak 84 weight 0.10000E+01 volume 0.13518E-02 ppm1 9.397 ppm2 1.097 CV 1
ASSI { 85}
((resid 100 and name HN ))
( resid 90 and name HD1%)
3.100 1.200 1.200 peak 85 weight 0.10000E+01 volume 0.10597E-02 ppm1 9.401 ppm2 0.747 CV 1
ASSI { 86}
((resid 100 and name HN ))
( resid 91 and name HD2%)
4.500 2.500 1.500 peak 86 weight 0.10000E+01 volume 0.12077E-03 ppm1 9.401 ppm2 0.666 CV 1
ASSI { 95}
((resid 91 and name HN ))
((resid 101 and name HN ))
3.200 1.300 1.300 peak 95 weight 0.10000E+01 volume 0.94751E-03 ppm1 9.212 ppm2 8.943 CV 1
ASSI { 98}
((resid 91 and name HN ))
((resid 91 and name HA ))
2.600 0.800 0.800 peak 98 weight 0.10000E+01 volume 0.34972E-02 ppm1 9.216 ppm2 4.330 CV 1
ASSI { 100}
((resid 91 and name HN ))
((resid 91 and name HB2 ))
2.700 0.900 0.900 peak 100 weight 0.10000E+01 volume 0.25719E-02 ppm1 9.214 ppm2 1.564 CV 1
ASSI { 101}
((resid 91 and name HN ))
((resid 91 and name HG ))
2.000 0.900 0.900 peak 101 weight 0.10000E+01 volume 0.30440E-02 ppm1 9.213 ppm2 1.461 CV 1
ASSI { 102}
((resid 91 and name HN ))
((resid 91 and name HB3 ))
3.700 0.800 0.800 peak 102 weight 0.10000E+01 volume 0.40489E-02 ppm1 9.211 ppm2 1.227 CV 1
ASSI { 103}
((resid 91 and name HN ))
( resid 90 and name HD1%)
3.000 1.100 1.100 peak 103 weight 0.10000E+01 volume 0.14718E-02 ppm1 9.214 ppm2 0.734 CV 1
ASSI { 104}
((resid 91 and name HN ))
( resid 91 and name HD2%)
2.800 1.000 1.000 peak 104 weight 0.10000E+01 volume 0.20574E-02 ppm1 9.213 ppm2 0.673 CV 1
OR { 104}
((resid 91 and name HN ))
( resid 91 and name HD1%)
ASSI { 114}
((resid 80 and name HN ))
((resid 110 and name HN ))
3.000 1.100 1.100 peak 114 weight 0.10000E+01 volume 0.14815E-02 ppm1 9.089 ppm2 8.698 CV 1
ASSI { 116}
((resid 80 and name HN ))
((resid 80 and name HA ))
3.200 1.200 1.200 peak 116 weight 0.10000E+01 volume 0.10212E-02 ppm1 9.089 ppm2 4.514 CV 1
ASSI { 120}
((resid 80 and name HN ))
( resid 111 and name HG2%)
3.300 1.300 1.300 peak 120 weight 0.10000E+01 volume 0.80405E-03 ppm1 9.089 ppm2 1.106 CV 1
ASSI { 131}
((resid 66 and name HN ))
((resid 66 and name HB ))
3.600 1.700 1.700 peak 131 weight 0.10000E+01 volume 0.42530E-03 ppm1 9.037 ppm2 2.011 CV 1
ASSI { 132}
((resid 66 and name HN ))
((resid 65 and name HB3 ))
3.000 1.100 1.100 peak 132 weight 0.10000E+01 volume 0.15174E-02 ppm1 9.037 ppm2 1.665 CV 1
ASSI { 137}
((resid 66 and name HN ))
((resid 88 and name HN ))
2.600 0.800 0.800 peak 137 weight 0.10000E+01 volume 0.33016E-02 ppm1 9.039 ppm2 8.770 CV 1
ASSI { 140}
((resid 66 and name HN ))
((resid 65 and name HA ))
1.900 0.500 0.500 peak 140 weight 0.10000E+01 volume 0.18364E-01 ppm1 9.035 ppm2 5.177 CV 1
ASSI { 141}
((resid 66 and name HN ))
((resid 66 and name HA ))
2.400 0.700 0.700 peak 141 weight 0.10000E+01 volume 0.48920E-02 ppm1 9.041 ppm2 4.965 CV 1
ASSI { 142}
((resid 66 and name HN ))
((resid 65 and name HG ))
3.200 1.300 1.300 peak 142 weight 0.10000E+01 volume 0.85621E-03 ppm1 9.035 ppm2 1.528 CV 1
ASSI { 143}
((resid 66 and name HN ))
((resid 65 and name HB2 ))
2.700 0.900 0.900 peak 143 weight 0.10000E+01 volume 0.27681E-02 ppm1 9.039 ppm2 1.388 CV 1
ASSI { 144}
((resid 66 and name HN ))
( resid 66 and name HG1%)
2.400 0.700 0.700 peak 144 weight 0.10000E+01 volume 0.55657E-02 ppm1 9.037 ppm2 0.769 CV 1
ASSI { 146}
((resid 66 and name HN ))
( resid 66 and name HG2%)
2.300 0.600 0.600 peak 146 weight 0.10000E+01 volume 0.71601E-02 ppm1 9.035 ppm2 0.584 CV 1
ASSI { 147}
((resid 98 and name HN ))
((resid 111 and name HN ))
3.300 1.300 1.300 peak 147 weight 0.10000E+01 volume 0.81774E-03 ppm1 9.019 ppm2 9.570 CV 1
ASSI { 153}
((resid 98 and name HN ))
((resid 98 and name HB2 ))
2.600 0.800 0.800 peak 153 weight 0.10000E+01 volume 0.36114E-02 ppm1 9.019 ppm2 2.958 CV 1
ASSI { 159}
((resid 83 and name HN ))
( resid 82 and name HD% )
3.000 1.200 1.200 peak 159 weight 0.10000E+01 volume 0.12663E-02 ppm1 8.985 ppm2 6.966 CV 1
ASSI { 160}
((resid 83 and name HN ))
((resid 82 and name HA ))
2.100 0.500 0.500 peak 160 weight 0.10000E+01 volume 0.13068E-01 ppm1 8.983 ppm2 5.022 CV 1
ASSI { 161}
((resid 83 and name HN ))
((resid 83 and name HA ))
2.800 1.000 1.000 peak 161 weight 0.10000E+01 volume 0.19315E-02 ppm1 8.983 ppm2 4.758 CV 1
ASSI { 162}
((resid 83 and name HN ))
((resid 82 and name HB3 ))
2.500 0.800 0.800 peak 162 weight 0.10000E+01 volume 0.37698E-02 ppm1 8.981 ppm2 3.258 CV 1
ASSI { 163}
((resid 83 and name HN ))
((resid 82 and name HB2 ))
2.300 0.700 0.700 peak 163 weight 0.10000E+01 volume 0.65471E-02 ppm1 8.985 ppm2 2.891 CV 1
ASSI { 164}
((resid 83 and name HN ))
((resid 86 and name HG2 ))
3.000 1.100 1.100 peak 164 weight 0.10000E+01 volume 0.15012E-02 ppm1 8.987 ppm2 2.472 CV 1
ASSI { 165}
((resid 83 and name HN ))
((resid 86 and name HG3 ))
2.200 0.600 0.600 peak 165 weight 0.10000E+01 volume 0.79099E-02 ppm1 8.983 ppm2 2.366 CV 1
ASSI { 166}
((resid 83 and name HN ))
((resid 83 and name HB2 ))
2.500 0.800 0.800 peak 166 weight 0.10000E+01 volume 0.44949E-02 ppm1 8.985 ppm2 2.110 CV 1
ASSI { 167}
((resid 83 and name HN ))
((resid 83 and name HB3 ))
2.500 0.800 0.800 peak 167 weight 0.10000E+01 volume 0.45210E-02 ppm1 8.983 ppm2 1.934 CV 1
ASSI { 173}
((resid 67 and name HN ))
((resid 117 and name HN ))
2.800 0.700 0.700 peak 173 weight 0.10000E+01 volume 0.55220E-02 ppm1 8.960 ppm2 8.540 CV 1
ASSI { 176}
((resid 67 and name HN ))
((resid 116 and name HA ))
3.500 1.500 1.500 peak 176 weight 0.10000E+01 volume 0.56557E-03 ppm1 8.957 ppm2 5.233 CV 1
ASSI { 177}
((resid 67 and name HN ))
((resid 66 and name HA ))
2.000 0.500 0.500 peak 177 weight 0.10000E+01 volume 0.16054E-01 ppm1 8.960 ppm2 4.948 CV 1
ASSI { 178}
((resid 67 and name HN ))
((resid 118 and name HA ))
3.000 1.100 1.100 peak 178 weight 0.10000E+01 volume 0.13055E-02 ppm1 8.962 ppm2 4.249 CV 1
ASSI { 179}
((resid 67 and name HN ))
((resid 66 and name HB ))
2.200 0.600 0.600 peak 179 weight 0.10000E+01 volume 0.89990E-02 ppm1 8.960 ppm2 2.014 CV 1
ASSI { 180}
((resid 67 and name HN ))
((resid 116 and name HB ))
3.000 1.100 1.100 peak 180 weight 0.10000E+01 volume 0.14750E-02 ppm1 8.955 ppm2 1.770 CV 1
ASSI { 181}
((resid 67 and name HN ))
((resid 67 and name HB ))
2.600 0.800 0.800 peak 181 weight 0.10000E+01 volume 0.34451E-02 ppm1 8.957 ppm2 1.542 CV 1
ASSI { 182}
((resid 67 and name HN ))
((resid 67 and name HG13))
3.000 1.100 1.100 peak 182 weight 0.10000E+01 volume 0.13407E-02 ppm1 8.957 ppm2 1.345 CV 1
ASSI { 183}
((resid 67 and name HN ))
( resid 119 and name HB% )
6.000 1.400 1.400 peak 183 weight 0.10000E+01 volume 0.65797E-03 ppm1 8.957 ppm2 1.243 CV 1
ASSI { 185}
((resid 67 and name HN ))
( resid 67 and name HG2%)
3.600 1.700 1.000 peak 185 weight 0.10000E+01 volume 0.61565E-02 ppm1 8.957 ppm2 0.770 CV 1
ASSI { 186}
((resid 67 and name HN ))
( resid 116 and name HG2%)
3.300 1.300 1.300 peak 186 weight 0.10000E+01 volume 0.81186E-03 ppm1 8.960 ppm2 0.676 CV 1
ASSI { 187}
((resid 67 and name HN ))
( resid 66 and name HG2%)
2.900 1.100 1.100 peak 187 weight 0.10000E+01 volume 0.15546E-02 ppm1 8.960 ppm2 0.585 CV 1
ASSI { 190}
((resid 101 and name HN ))
((resid 89 and name HN ))
2.400 0.700 0.700 peak 190 weight 0.10000E+01 volume 0.53231E-02 ppm1 8.959 ppm2 8.754 CV 1
ASSI { 192}
((resid 101 and name HN ))
((resid 100 and name HA ))
2.100 0.600 0.600 peak 192 weight 0.10000E+01 volume 0.11484E-01 ppm1 8.961 ppm2 5.452 CV 1
ASSI { 193}
((resid 101 and name HN ))
((resid 101 and name HA ))
2.700 0.900 0.900 peak 193 weight 0.10000E+01 volume 0.24017E-02 ppm1 8.959 ppm2 5.270 CV 1
ASSI { 194}
((resid 101 and name HN ))
((resid 90 and name HA ))
3.200 1.300 1.300 peak 194 weight 0.10000E+01 volume 0.92794E-03 ppm1 8.957 ppm2 4.243 CV 1
ASSI { 195}
((resid 101 and name HN ))
((resid 101 and name HB3 ))
2.400 0.700 0.700 peak 195 weight 0.10000E+01 volume 0.53472E-02 ppm1 8.959 ppm2 1.955 CV 1
ASSI { 196}
((resid 101 and name HN ))
((resid 101 and name HB2 ))
2.500 0.800 0.800 peak 196 weight 0.10000E+01 volume 0.43359E-02 ppm1 8.959 ppm2 1.710 CV 1
ASSI { 197}
((resid 101 and name HN ))
((resid 89 and name HG2 ))
2.800 1.000 1.000 peak 197 weight 0.10000E+01 volume 0.18826E-02 ppm1 8.959 ppm2 1.462 CV 1
ASSI { 198}
((resid 101 and name HN ))
( resid 100 and name HB% )
3.6 1 1
ASSI { 199}
((resid 101 and name HN ))
((resid 88 and name HB2 ))
3.100 1.200 1.200 peak 199 weight 0.10000E+01 volume 0.10427E-02 ppm1 8.955 ppm2 1.098 CV 1
ASSI { 200}
((resid 101 and name HN ))
( resid 91 and name HD2%)
2.700 0.900 0.900 peak 200 weight 0.10000E+01 volume 0.28490E-02 ppm1 8.959 ppm2 0.674 CV 1
ASSI { 203}
((resid 90 and name HN ))
((resid 65 and name HA ))
3.000 1.100 1.100 peak 203 weight 0.10000E+01 volume 0.13453E-02 ppm1 8.940 ppm2 5.170 CV 1
ASSI { 204}
((resid 90 and name HN ))
((resid 89 and name HA ))
2.000 0.500 0.500 peak 204 weight 0.10000E+01 volume 0.14536E-01 ppm1 8.940 ppm2 4.993 CV 1
ASSI { 206}
((resid 90 and name HN ))
((resid 64 and name HB2 ))
3.100 1.200 1.200 peak 206 weight 0.10000E+01 volume 0.12384E-02 ppm1 8.940 ppm2 2.948 CV 1
ASSI { 207}
((resid 90 and name HN ))
((resid 64 and name HB3 ))
3.100 1.200 1.200 peak 207 weight 0.10000E+01 volume 0.11125E-02 ppm1 8.941 ppm2 2.855 CV 1
ASSI { 208}
((resid 90 and name HN ))
((resid 90 and name HB ))
2.300 0.700 0.700 peak 208 weight 0.10000E+01 volume 0.65406E-02 ppm1 8.939 ppm2 1.970 CV 1
ASSI { 209}
((resid 90 and name HN ))
((resid 90 and name HG13))
3.5 0.700 0.700 peak 209 weight 0.10000E+01 volume 0.65002E-02 ppm1 8.939 ppm2 1.571 CV 1
ASSI { 210}
((resid 90 and name HN ))
((resid 89 and name HG2 ))
2.800 1.000 1.000 peak 210 weight 0.10000E+01 volume 0.19556E-02 ppm1 8.940 ppm2 1.464 CV 1
ASSI { 211}
((resid 90 and name HN ))
((resid 90 and name HG12))
2.500 0.800 0.800 peak 211 weight 0.10000E+01 volume 0.40717E-02 ppm1 8.940 ppm2 1.269 CV 1
ASSI { 212}
((resid 90 and name HN ))
( resid 90 and name HD1%)
2.600 0.800 0.800 peak 212 weight 0.10000E+01 volume 0.33453E-02 ppm1 8.941 ppm2 0.746 CV 1
ASSI { 214}
((resid 90 and name HN ))
((resid 89 and name HN ))
3.300 1.300 1.300 peak 214 weight 0.10000E+01 volume 0.80273E-03 ppm1 8.941 ppm2 8.749 CV 1
ASSI { 215}
((resid 90 and name HN ))
( resid 90 and name HG2%)
2.800 1.000 1.000 peak 215 weight 0.10000E+01 volume 0.21102E-02 ppm1 8.938 ppm2 0.560 CV 1
ASSI { 240}
((resid 78 and name HN ))
((resid 79 and name HN ))
2.700 0.900 0.900 peak 240 weight 0.10000E+01 volume 0.24461E-02 ppm1 8.853 ppm2 7.862 CV 1
ASSI { 242}
((resid 78 and name HN ))
((resid 77 and name HA ))
2.100 0.600 0.600 peak 242 weight 0.10000E+01 volume 0.11066E-01 ppm1 8.857 ppm2 4.392 CV 1
ASSI { 243}
((resid 78 and name HN ))
((resid 78 and name HA1 ))
2.500 0.800 0.800 peak 243 weight 0.10000E+01 volume 0.41233E-02 ppm1 8.857 ppm2 3.936 CV 1
ASSI { 244}
((resid 78 and name HN ))
((resid 77 and name HB2 ))
3.200 1.300 1.300 peak 244 weight 0.10000E+01 volume 0.85555E-03 ppm1 8.855 ppm2 2.584 CV 1
ASSI { 248}
((resid 103 and name HN ))
((resid 102 and name HN ))
3.400 1.400 1.400 peak 248 weight 0.10000E+01 volume 0.69449E-03 ppm1 8.870 ppm2 8.753 CV 1
ASSI { 253}
((resid 103 and name HN ))
((resid 102 and name HA ))
2.100 0.600 0.600 peak 253 weight 0.10000E+01 volume 0.10193E-01 ppm1 8.871 ppm2 4.667 CV 1
ASSI { 254}
((resid 103 and name HN ))
((resid 103 and name HA ))
2.500 0.800 0.800 peak 254 weight 0.10000E+01 volume 0.36537E-02 ppm1 8.873 ppm2 4.286 CV 1
ASSI { 256}
((resid 103 and name HN ))
((resid 103 and name HB2 ))
2.100 0.500 0.500 peak 256 weight 0.10000E+01 volume 0.12455E-01 ppm1 8.871 ppm2 1.713 CV 1
ASSI { 257}
((resid 103 and name HN ))
( resid 103 and name HD1%)
2.800 1.000 1.000 peak 257 weight 0.10000E+01 volume 0.22432E-02 ppm1 8.869 ppm2 0.817 CV 1
ASSI { 276}
((resid 85 and name HN ))
((resid 68 and name HN ))
3.400 1.500 1.500 peak 276 weight 0.10000E+01 volume 0.62413E-03 ppm1 8.824 ppm2 8.516 CV 1
ASSI { 279}
((resid 85 and name HN ))
((resid 85 and name HA2 ))
2.400 0.700 0.700 peak 279 weight 0.10000E+01 volume 0.47596E-02 ppm1 8.824 ppm2 4.349 CV 1
ASSI { 280}
((resid 85 and name HN ))
((resid 85 and name HA1 ))
2.200 0.600 0.600 peak 280 weight 0.10000E+01 volume 0.98533E-02 ppm1 8.830 ppm2 3.475 CV 1
ASSI { 281}
((resid 85 and name HN ))
((resid 84 and name HA ))
2.000 0.500 0.500 peak 281 weight 0.10000E+01 volume 0.14828E-01 ppm1 8.829 ppm2 3.346 CV 1
ASSI { 282}
((resid 85 and name HN ))
( resid 68 and name HB% )
2.200 0.600 0.600 peak 282 weight 0.10000E+01 volume 0.81709E-02 ppm1 8.821 ppm2 1.660 CV 1
ASSI { 283}
((resid 85 and name HN ))
((resid 84 and name HG3 ))
2.900 1.000 1.000 peak 283 weight 0.10000E+01 volume 0.17033E-02 ppm1 8.821 ppm2 1.174 CV 1
ASSI { 284}
((resid 85 and name HN ))
((resid 84 and name HG2 ))
2.800 1.000 1.000 peak 284 weight 0.10000E+01 volume 0.18787E-02 ppm1 8.826 ppm2 1.034 CV 1
ASSI { 285}
((resid 85 and name HN ))
( resid 67 and name HG2%)
3.300 1.300 1.300 peak 285 weight 0.10000E+01 volume 0.79947E-03 ppm1 8.829 ppm2 0.765 CV 1
ASSI { 298}
((resid 77 and name HN ))
((resid 76 and name HB3 ))
3.900 1.900 1.900 peak 298 weight 0.10000E+01 volume 0.28810E-03 ppm1 8.790 ppm2 3.150 CV 1
ASSI { 299}
((resid 77 and name HN ))
((resid 77 and name HB3 ))
2.900 1.100 1.100 peak 299 weight 0.10000E+01 volume 0.16061E-02 ppm1 8.790 ppm2 2.588 CV 1
ASSI { 303}
((resid 88 and name HN ))
((resid 87 and name HA ))
2.000 0.500 0.500 peak 303 weight 0.10000E+01 volume 0.16603E-01 ppm1 8.777 ppm2 5.225 CV 1
ASSI { 304}
((resid 88 and name HN ))
((resid 88 and name HA ))
2.800 1.000 1.000 peak 304 weight 0.10000E+01 volume 0.19322E-02 ppm1 8.775 ppm2 5.030 CV 1
ASSI { 305}
((resid 88 and name HN ))
((resid 67 and name HA ))
2.800 1.000 1.000 peak 305 weight 0.10000E+01 volume 0.20261E-02 ppm1 8.775 ppm2 4.901 CV 1
ASSI { 306}
((resid 88 and name HN ))
((resid 87 and name HB3 ))
3.300 1.300 1.300 peak 306 weight 0.10000E+01 volume 0.84447E-03 ppm1 8.776 ppm2 2.091 CV 1
ASSI { 307}
((resid 88 and name HN ))
((resid 87 and name HB2 ))
2.700 0.900 0.900 peak 307 weight 0.10000E+01 volume 0.26795E-02 ppm1 8.775 ppm2 2.002 CV 1
ASSI { 308}
((resid 88 and name HN ))
((resid 88 and name HG ))
2.700 0.900 0.900 peak 308 weight 0.10000E+01 volume 0.26528E-02 ppm1 8.775 ppm2 1.328 CV 1
ASSI { 311}
((resid 88 and name HN ))
( resid 65 and name HD1%)
3.200 1.300 1.300 peak 311 weight 0.10000E+01 volume 0.85686E-03 ppm1 8.777 ppm2 0.826 CV 1
ASSI { 313}
((resid 88 and name HN ))
( resid 66 and name HG2%)
2.700 0.900 0.900 peak 313 weight 0.10000E+01 volume 0.27525E-02 ppm1 8.774 ppm2 0.590 CV 1
ASSI { 314}
((resid 102 and name HN ))
((resid 101 and name HN ))
5.800 4.300 0.200 peak 314 weight 0.10000E+01 volume 0.25015E-04 ppm1 8.768 ppm2 8.954 CV 1
ASSI { 318}
((resid 102 and name HN ))
((resid 106 and name HN ))
3.800 1.800 1.800 peak 318 weight 0.10000E+01 volume 0.31170E-03 ppm1 8.760 ppm2 7.664 CV 1
ASSI { 319}
((resid 102 and name HN ))
((resid 108 and name HA ))
2.800 1.000 1.000 peak 319 weight 0.10000E+01 volume 0.19524E-02 ppm1 8.771 ppm2 5.682 CV 1
ASSI { 320}
((resid 102 and name HN ))
((resid 101 and name HA ))
2.100 0.500 0.500 peak 320 weight 0.10000E+01 volume 0.13290E-01 ppm1 8.768 ppm2 5.269 CV 1
ASSI { 322}
((resid 102 and name HN ))
((resid 102 and name HA ))
2.700 0.900 0.900 peak 322 weight 0.10000E+01 volume 0.24409E-02 ppm1 8.765 ppm2 4.660 CV 1
ASSI { 324}
((resid 102 and name HN ))
((resid 102 and name HB3 ))
2.600 0.600 0.600 peak 324 weight 0.10000E+01 volume 0.73557E-02 ppm1 8.765 ppm2 4.034 CV 1
ASSI { 325}
((resid 102 and name HN ))
((resid 101 and name HG3 ))
2.800 0.900 0.900 peak 325 weight 0.10000E+01 volume 0.22986E-02 ppm1 8.768 ppm2 2.106 CV 1
ASSI { 326}
((resid 102 and name HN ))
((resid 101 and name HG2 ))
2.500 0.800 0.800 peak 326 weight 0.10000E+01 volume 0.38076E-02 ppm1 8.765 ppm2 1.971 CV 1
ASSI { 327}
((resid 102 and name HN ))
((resid 101 and name HB2 ))
3.100 1.200 1.200 peak 327 weight 0.10000E+01 volume 0.11588E-02 ppm1 8.768 ppm2 1.714 CV 1
ASSI { 329}
((resid 102 and name HN ))
( resid 80 and name HD2%)
2.600 0.800 0.800 peak 329 weight 0.10000E+01 volume 0.34959E-02 ppm1 8.765 ppm2 0.647 CV 1
ASSI { 331}
((resid 71 and name HN ))
((resid 84 and name HN ))
4.300 2.300 1.700 peak 331 weight 0.10000E+01 volume 0.15637E-03 ppm1 8.981 ppm2 8.337 CV 1
ASSI { 334}
((resid 71 and name HN ))
((resid 70 and name HA ))
2.700 0.900 0.900 peak 334 weight 0.10000E+01 volume 0.26658E-02 ppm1 8.978 ppm2 4.621 CV 1
ASSI { 335}
((resid 71 and name HN ))
((resid 71 and name HB3 ))
3.000 1.100 1.100 peak 335 weight 0.10000E+01 volume 0.13570E-02 ppm1 8.984 ppm2 4.085 CV 1
ASSI { 337}
((resid 71 and name HN ))
((resid 70 and name HB3 ))
3.000 1.100 1.100 peak 337 weight 0.10000E+01 volume 0.14698E-02 ppm1 8.982 ppm2 3.060 CV 1
ASSI { 338}
((resid 71 and name HN ))
((resid 70 and name HB2 ))
3.400 1.400 1.400 peak 338 weight 0.10000E+01 volume 0.70231E-03 ppm1 8.982 ppm2 2.421 CV 1
ASSI { 339}
((resid 71 and name HN ))
((resid 84 and name HB2 ))
2.700 0.900 0.900 peak 339 weight 0.10000E+01 volume 0.24963E-02 ppm1 8.978 ppm2 1.672 CV 1
ASSI { 343}
((resid 77 and name HN ))
((resid 77 and name HA ))
4.000 2.000 2.000 peak 343 weight 0.10000E+01 volume 0.25732E-03 ppm1 8.787 ppm2 4.417 CV 1
ASSI { 347}
((resid 89 and name HN ))
((resid 88 and name HA ))
2.100 0.500 0.500 peak 347 weight 0.10000E+01 volume 0.13310E-01 ppm1 8.760 ppm2 5.027 CV 1
ASSI { 348}
((resid 89 and name HN ))
((resid 89 and name HB2 ))
2.300 0.700 0.700 peak 348 weight 0.10000E+01 volume 0.61421E-02 ppm1 8.760 ppm2 1.674 CV 1
ASSI { 349}
((resid 89 and name HN ))
((resid 89 and name HB3 ))
2.600 0.800 0.800 peak 349 weight 0.10000E+01 volume 0.34392E-02 ppm1 8.757 ppm2 1.607 CV 1
ASSI { 351}
((resid 89 and name HN ))
((resid 89 and name HG3 ))
3.200 1.200 1.200 peak 351 weight 0.10000E+01 volume 0.10232E-02 ppm1 8.758 ppm2 1.309 CV 1
ASSI { 352}
((resid 89 and name HN ))
((resid 88 and name HB2 ))
2.800 1.000 1.000 peak 352 weight 0.10000E+01 volume 0.19100E-02 ppm1 8.757 ppm2 1.163 CV 1
ASSI { 353}
((resid 89 and name HN ))
((resid 88 and name HB3 ))
2.700 0.900 0.900 peak 353 weight 0.10000E+01 volume 0.27616E-02 ppm1 8.757 ppm2 1.090 CV 1
ASSI { 354}
((resid 89 and name HN ))
( resid 103 and name HD1%)
2.800 1.000 1.000 peak 354 weight 0.10000E+01 volume 0.19054E-02 ppm1 8.757 ppm2 0.817 CV 1
ASSI { 355}
((resid 89 and name HN ))
( resid 88 and name HD2%)
3.200 1.300 1.300 peak 355 weight 0.10000E+01 volume 0.85621E-03 ppm1 8.755 ppm2 0.627 CV 1
ASSI { 364}
((resid 109 and name HN ))
((resid 100 and name HN ))
2.700 0.900 0.900 peak 364 weight 0.10000E+01 volume 0.26371E-02 ppm1 8.718 ppm2 9.395 CV 1
ASSI { 368}
((resid 109 and name HN ))
((resid 108 and name HA ))
2.100 0.500 0.500 peak 368 weight 0.10000E+01 volume 0.12905E-01 ppm1 8.719 ppm2 5.689 CV 1
ASSI { 369}
((resid 109 and name HN ))
((resid 101 and name HA ))
3.000 1.100 1.100 peak 369 weight 0.10000E+01 volume 0.13753E-02 ppm1 8.718 ppm2 5.273 CV 1
ASSI { 370}
((resid 109 and name HN ))
((resid 109 and name HA2 ))
2.600 0.800 0.800 peak 370 weight 0.10000E+01 volume 0.34503E-02 ppm1 8.718 ppm2 4.099 CV 1
ASSI { 371}
((resid 109 and name HN ))
((resid 109 and name HA1 ))
2.600 0.800 0.800 peak 371 weight 0.10000E+01 volume 0.33674E-02 ppm1 8.718 ppm2 3.923 CV 1
ASSI { 372}
((resid 109 and name HN ))
((resid 108 and name HG2 ))
3.400 1.500 1.500 peak 372 weight 0.10000E+01 volume 0.62504E-03 ppm1 8.719 ppm2 2.022 CV 1
ASSI { 373}
((resid 109 and name HN ))
((resid 108 and name HB2 ))
2.900 1.000 1.000 peak 373 weight 0.10000E+01 volume 0.18585E-02 ppm1 8.718 ppm2 1.862 CV 1
ASSI { 374}
((resid 109 and name HN ))
((resid 108 and name HB3 ))
2.600 0.800 0.800 peak 374 weight 0.10000E+01 volume 0.32677E-02 ppm1 8.718 ppm2 1.801 CV 1
ASSI { 375}
((resid 109 and name HN ))
( resid 100 and name HB% )
3.800 1.800 1.800 peak 375 weight 0.10000E+01 volume 0.31894E-03 ppm1 8.718 ppm2 1.209 CV 1
ASSI { 376}
((resid 109 and name HN ))
((resid 99 and name HD2 ))
3.900 1.900 1.900 peak 376 weight 0.10000E+01 volume 0.27584E-03 ppm1 8.718 ppm2 1.101 CV 1
ASSI { 377}
((resid 109 and name HN ))
((resid 99 and name HD3 ))
2.800 1.000 1.000 peak 377 weight 0.10000E+01 volume 0.19420E-02 ppm1 8.719 ppm2 0.794 CV 1
ASSI { 378}
((resid 109 and name HN ))
((resid 80 and name HB3 ))
2.700 0.900 0.900 peak 378 weight 0.10000E+01 volume 0.27395E-02 ppm1 8.720 ppm2 0.733 CV 1
ASSI { 379}
((resid 109 and name HN ))
( resid 80 and name HD2%)
2.700 0.900 0.900 peak 379 weight 0.10000E+01 volume 0.27766E-02 ppm1 8.720 ppm2 0.652 CV 1
ASSI { 384}
((resid 99 and name HN ))
((resid 92 and name HN ))
2.800 1.000 1.000 peak 384 weight 0.10000E+01 volume 0.20600E-02 ppm1 8.721 ppm2 7.662 CV 1
ASSI { 390}
((resid 99 and name HN ))
((resid 92 and name HB3 ))
3.300 1.400 1.400 peak 390 weight 0.10000E+01 volume 0.78121E-03 ppm1 8.721 ppm2 1.916 CV 1
ASSI { 391}
((resid 99 and name HN ))
((resid 99 and name HB3 ))
2.700 0.900 0.900 peak 391 weight 0.10000E+01 volume 0.27701E-02 ppm1 8.723 ppm2 1.655 CV 1
ASSI { 392}
((resid 99 and name HN ))
((resid 99 and name HB2 ))
2.700 0.900 0.900 peak 392 weight 0.10000E+01 volume 0.28276E-02 ppm1 8.722 ppm2 1.568 CV 1
ASSI { 399}
((resid 110 and name HN ))
( resid 110 and name HD% )
2.800 1.000 1.000 peak 399 weight 0.10000E+01 volume 0.20946E-02 ppm1 8.701 ppm2 7.176 CV 1
ASSI { 401}
((resid 110 and name HN ))
((resid 79 and name HA ))
2.200 0.600 0.600 peak 401 weight 0.10000E+01 volume 0.87382E-02 ppm1 8.701 ppm2 5.325 CV 1
ASSI { 402}
((resid 110 and name HN ))
((resid 109 and name HA2 ))
2.300 0.700 0.700 peak 402 weight 0.10000E+01 volume 0.65341E-02 ppm1 8.701 ppm2 4.085 CV 1
ASSI { 403}
((resid 110 and name HN ))
((resid 109 and name HA1 ))
2.400 0.700 0.700 peak 403 weight 0.10000E+01 volume 0.57789E-02 ppm1 8.703 ppm2 3.929 CV 1
ASSI { 404}
((resid 110 and name HN ))
((resid 110 and name HB2 ))
2.300 0.700 0.700 peak 404 weight 0.10000E+01 volume 0.63873E-02 ppm1 8.701 ppm2 3.130 CV 1
ASSI { 405}
((resid 110 and name HN ))
((resid 80 and name HB3 ))
3.300 1.400 1.400 peak 405 weight 0.10000E+01 volume 0.76231E-03 ppm1 8.701 ppm2 0.742 CV 1
ASSI { 429}
((resid 96 and name HN ))
((resid 95 and name HA2 ))
2.300 0.600 0.600 peak 429 weight 0.10000E+01 volume 0.72448E-02 ppm1 8.632 ppm2 4.076 CV 1
ASSI { 465}
((resid 93 and name HN ))
((resid 92 and name HA ))
2.100 0.500 0.500 peak 465 weight 0.10000E+01 volume 0.12364E-01 ppm1 8.594 ppm2 4.305 CV 1
ASSI { 466}
((resid 93 and name HN ))
((resid 93 and name HA ))
2.800 1.000 1.000 peak 466 weight 0.10000E+01 volume 0.18944E-02 ppm1 8.594 ppm2 3.602 CV 1
ASSI { 467}
((resid 93 and name HN ))
((resid 92 and name HG3 ))
3.500 1.500 1.500 peak 467 weight 0.10000E+01 volume 0.58330E-03 ppm1 8.596 ppm2 2.230 CV 1
ASSI { 468}
((resid 93 and name HN ))
((resid 92 and name HG2 ))
3.600 1.600 1.600 peak 468 weight 0.10000E+01 volume 0.44962E-03 ppm1 8.597 ppm2 2.137 CV 1
ASSI { 469}
((resid 93 and name HN ))
((resid 92 and name HB2 ))
3.300 1.400 1.400 peak 469 weight 0.10000E+01 volume 0.71601E-03 ppm1 8.597 ppm2 2.047 CV 1
ASSI { 470}
((resid 93 and name HN ))
((resid 92 and name HB3 ))
4.000 2.000 2.000 peak 470 weight 0.10000E+01 volume 0.24024E-03 ppm1 8.596 ppm2 1.913 CV 1
ASSI { 471}
((resid 93 and name HN ))
((resid 93 and name HB3 ))
3.200 1.300 1.300 peak 471 weight 0.10000E+01 volume 0.89403E-03 ppm1 8.593 ppm2 1.162 CV 1
ASSI { 472}
((resid 93 and name HN ))
((resid 93 and name HB2 ))
2.700 0.900 0.900 peak 472 weight 0.10000E+01 volume 0.27806E-02 ppm1 8.595 ppm2 0.979 CV 1
ASSI { 478}
((resid 75 and name HN ))
((resid 76 and name HN ))
2.400 0.700 0.700 peak 478 weight 0.10000E+01 volume 0.46443E-02 ppm1 8.603 ppm2 7.805 CV 1
ASSI { 480}
((resid 75 and name HN ))
((resid 75 and name HA ))
3.100 1.200 1.200 peak 480 weight 0.10000E+01 volume 0.12233E-02 ppm1 8.607 ppm2 4.386 CV 1
ASSI { 481}
((resid 75 and name HN ))
((resid 74 and name HA ))
2.300 0.700 0.700 peak 481 weight 0.10000E+01 volume 0.65927E-02 ppm1 8.607 ppm2 3.986 CV 1
ASSI { 485}
((resid 75 and name HN ))
((resid 74 and name HB2 ))
3.000 1.100 1.100 peak 485 weight 0.10000E+01 volume 0.13029E-02 ppm1 8.603 ppm2 1.986 CV 1
ASSI { 491}
((resid 117 and name HN ))
((resid 116 and name HA ))
2.300 0.700 0.700 peak 491 weight 0.10000E+01 volume 0.66710E-02 ppm1 8.555 ppm2 5.236 CV 1
ASSI { 493}
((resid 117 and name HN ))
((resid 66 and name HB ))
3.000 1.100 1.100 peak 493 weight 0.10000E+01 volume 0.13649E-02 ppm1 8.552 ppm2 2.022 CV 1
ASSI { 494}
((resid 117 and name HN ))
((resid 116 and name HB ))
2.600 0.800 0.800 peak 494 weight 0.10000E+01 volume 0.39537E-02 ppm1 8.551 ppm2 1.775 CV 1
ASSI { 495}
((resid 117 and name HN ))
( resid 117 and name HB% )
2.700 0.700 0.700 peak 495 weight 0.10000E+01 volume 0.52057E-02 ppm1 8.550 ppm2 1.360 CV 1
ASSI { 496}
((resid 117 and name HN ))
( resid 66 and name HG1%)
4.900 1.200 1.200 peak 496 weight 0.10000E+01 volume 0.11346E-02 ppm1 8.552 ppm2 0.766 CV 1
ASSI { 497}
((resid 117 and name HN ))
( resid 116 and name HG2%)
4.800 1.000 1.000 peak 497 weight 0.10000E+01 volume 0.19289E-02 ppm1 8.551 ppm2 0.674 CV 1
ASSI { 499}
((resid 117 and name HN ))
((resid 68 and name HA ))
4.100 2.000 2.000 peak 499 weight 0.10000E+01 volume 0.22726E-03 ppm1 8.556 ppm2 4.538 CV 1
ASSI { 512}
((resid 68 and name HN ))
((resid 86 and name HN ))
3.400 1.400 1.400 peak 512 weight 0.10000E+01 volume 0.70493E-03 ppm1 8.532 ppm2 8.115 CV 1
ASSI { 514}
((resid 68 and name HN ))
((resid 67 and name HA ))
1.900 0.500 0.500 peak 514 weight 0.10000E+01 volume 0.19093E-01 ppm1 8.530 ppm2 4.901 CV 1
ASSI { 515}
((resid 68 and name HN ))
((resid 68 and name HA ))
2.800 1.000 1.000 peak 515 weight 0.10000E+01 volume 0.19759E-02 ppm1 8.534 ppm2 4.532 CV 1
ASSI { 516}
((resid 68 and name HN ))
( resid 68 and name HB% )
2.200 0.600 0.600 peak 516 weight 0.10000E+01 volume 0.95859E-02 ppm1 8.532 ppm2 1.663 CV 1
ASSI { 518}
((resid 68 and name HN ))
((resid 67 and name HG13))
3.100 1.200 1.200 peak 518 weight 0.10000E+01 volume 0.10662E-02 ppm1 8.532 ppm2 1.330 CV 1
ASSI { 520}
((resid 68 and name HN ))
( resid 67 and name HG2%)
2.700 0.900 0.900 peak 520 weight 0.10000E+01 volume 0.28216E-02 ppm1 8.530 ppm2 0.765 CV 1
ASSI { 522}
((resid 108 and name HN ))
((resid 108 and name HA ))
2.600 0.800 0.800 peak 522 weight 0.10000E+01 volume 0.34816E-02 ppm1 8.539 ppm2 5.689 CV 1
ASSI { 523}
((resid 108 and name HN ))
((resid 107 and name HA ))
1.900 0.400 0.400 peak 523 weight 0.10000E+01 volume 0.22184E-01 ppm1 8.536 ppm2 4.217 CV 1
ASSI { 524}
((resid 108 and name HN ))
((resid 107 and name HG3 ))
2.800 0.900 0.900 peak 524 weight 0.10000E+01 volume 0.28992E-02 ppm1 8.538 ppm2 2.409 CV 1
ASSI { 525}
((resid 108 and name HN ))
((resid 108 and name HG3 ))
2.700 0.900 0.900 peak 525 weight 0.10000E+01 volume 0.27681E-02 ppm1 8.535 ppm2 2.240 CV 1
ASSI { 527}
((resid 108 and name HN ))
((resid 107 and name HB3 ))
3.000 1.100 1.100 peak 527 weight 0.10000E+01 volume 0.15129E-02 ppm1 8.537 ppm2 1.922 CV 1
ASSI { 528}
((resid 108 and name HN ))
((resid 108 and name HB2 ))
2.400 0.700 0.700 peak 528 weight 0.10000E+01 volume 0.51366E-02 ppm1 8.536 ppm2 1.863 CV 1
ASSI { 529}
((resid 108 and name HN ))
((resid 108 and name HB3 ))
2.700 0.900 0.900 peak 529 weight 0.10000E+01 volume 0.28529E-02 ppm1 8.536 ppm2 1.808 CV 1
ASSI { 534}
((resid 108 and name HN ))
((resid 109 and name HN ))
3.800 1.800 1.800 peak 534 weight 0.10000E+01 volume 0.32729E-03 ppm1 8.536 ppm2 8.718 CV 1
ASSI { 536}
((resid 108 and name HN ))
( resid 80 and name HD1%)
3.200 1.300 1.300 peak 536 weight 0.10000E+01 volume 0.86859E-03 ppm1 8.536 ppm2 0.798 CV 1
ASSI { 550}
((resid 100 and name HA ))
((resid 99 and name HB2 ))
4.200 2.200 1.800 peak 550 weight 0.10000E+01 volume 0.18942E-03 ppm1 5.455 ppm2 1.683 CV 1
ASSI { 564}
((resid 64 and name HN ))
((resid 65 and name HN ))
2.600 0.800 0.800 peak 564 weight 0.10000E+01 volume 0.34764E-02 ppm1 8.490 ppm2 7.882 CV 1
ASSI { 568}
((resid 64 and name HN ))
((resid 64 and name HB2 ))
2.500 0.800 0.800 peak 568 weight 0.10000E+01 volume 0.40320E-02 ppm1 8.493 ppm2 2.950 CV 1
ASSI { 569}
((resid 64 and name HN ))
((resid 64 and name HB3 ))
3.600 0.800 0.800 peak 569 weight 0.10000E+01 volume 0.34652E-02 ppm1 8.490 ppm2 2.857 CV 1
ASSI { 589}
((resid 72 and name HN ))
( resid 72 and name HD% )
3.300 1.400 1.400 peak 589 weight 0.10000E+01 volume 0.74665E-03 ppm1 8.461 ppm2 7.028 CV 1
ASSI { 590}
((resid 72 and name HN ))
( resid 82 and name HD% )
3.100 1.200 1.200 peak 590 weight 0.10000E+01 volume 0.12397E-02 ppm1 8.461 ppm2 6.968 CV 1
ASSI { 591}
((resid 72 and name HN ))
((resid 72 and name HA ))
3.000 0.500 0.500 peak 591 weight 0.10000E+01 volume 0.14073E-01 ppm1 8.464 ppm2 4.629 CV 1
ASSI { 593}
((resid 72 and name HN ))
((resid 71 and name HB2 ))
2.900 1.000 1.000 peak 593 weight 0.10000E+01 volume 0.17372E-02 ppm1 8.463 ppm2 3.920 CV 1
ASSI { 595}
((resid 72 and name HN ))
((resid 72 and name HB3 ))
2.800 1.000 1.000 peak 595 weight 0.10000E+01 volume 0.22041E-02 ppm1 8.463 ppm2 1.028 CV 1
ASSI { 613}
((resid 95 and name HN ))
((resid 96 and name HN ))
3.300 1.400 1.400 peak 613 weight 0.10000E+01 volume 0.73231E-03 ppm1 8.497 ppm2 8.629 CV 1
ASSI { 616}
((resid 95 and name HN ))
((resid 94 and name HB2 ))
2.700 0.900 0.900 peak 616 weight 0.10000E+01 volume 0.28869E-02 ppm1 8.496 ppm2 3.837 CV 1
ASSI { 623}
((resid 104 and name HN ))
((resid 103 and name HN ))
2.400 0.700 0.700 peak 623 weight 0.10000E+01 volume 0.49240E-02 ppm1 8.480 ppm2 8.858 CV 1
ASSI { 625}
((resid 104 and name HN ))
((resid 105 and name HN ))
2.300 0.700 0.700 peak 625 weight 0.10000E+01 volume 0.62621E-02 ppm1 8.480 ppm2 8.105 CV 1
ASSI { 629}
((resid 104 and name HN ))
((resid 104 and name HA ))
2.400 0.700 0.700 peak 629 weight 0.10000E+01 volume 0.59184E-02 ppm1 8.487 ppm2 4.284 CV 1
ASSI { 630}
((resid 104 and name HN ))
((resid 102 and name HB3 ))
3.100 1.200 1.200 peak 630 weight 0.10000E+01 volume 0.10896E-02 ppm1 8.480 ppm2 4.206 CV 1
ASSI { 631}
((resid 104 and name HN ))
((resid 104 and name HB ))
2.400 0.700 0.700 peak 631 weight 0.10000E+01 volume 0.57104E-02 ppm1 8.480 ppm2 4.085 CV 1
ASSI { 632}
((resid 104 and name HN ))
((resid 103 and name HB2 ))
2.500 0.800 0.800 peak 632 weight 0.10000E+01 volume 0.39341E-02 ppm1 8.480 ppm2 1.714 CV 1
ASSI { 633}
((resid 104 and name HN ))
( resid 104 and name HG2%)
2.700 0.900 0.900 peak 633 weight 0.10000E+01 volume 0.26351E-02 ppm1 8.482 ppm2 1.265 CV 1
ASSI { 634}
((resid 104 and name HN ))
( resid 103 and name HD1%)
3.500 1.500 1.500 peak 634 weight 0.10000E+01 volume 0.53916E-03 ppm1 8.484 ppm2 0.812 CV 1
ASSI { 635}
((resid 95 and name HN ))
((resid 94 and name HN ))
3.500 1.500 1.500 peak 635 weight 0.10000E+01 volume 0.53747E-03 ppm1 8.499 ppm2 8.116 CV 1
ASSI { 636}
((resid 95 and name HN ))
((resid 94 and name HA ))
2.100 0.600 0.600 peak 636 weight 0.10000E+01 volume 0.11594E-01 ppm1 8.494 ppm2 4.586 CV 1
ASSI { 637}
((resid 95 and name HN ))
((resid 95 and name HA2 ))
2.400 0.700 0.700 peak 637 weight 0.10000E+01 volume 0.53224E-02 ppm1 8.494 ppm2 4.066 CV 1
ASSI { 638}
((resid 95 and name HN ))
((resid 95 and name HA1 ))
2.100 0.600 0.600 peak 638 weight 0.10000E+01 volume 0.11523E-01 ppm1 8.494 ppm2 3.756 CV 1
ASSI { 690}
((resid 87 and name HN ))
((resid 87 and name HA ))
2.600 0.900 0.900 peak 690 weight 0.10000E+01 volume 0.30818E-02 ppm1 8.400 ppm2 5.218 CV 1
ASSI { 691}
((resid 87 and name HN ))
((resid 86 and name HA ))
1.900 0.500 0.500 peak 691 weight 0.10000E+01 volume 0.21226E-01 ppm1 8.398 ppm2 4.178 CV 1
ASSI { 692}
((resid 87 and name HN ))
((resid 86 and name HG3 ))
2.300 0.600 0.600 peak 692 weight 0.10000E+01 volume 0.72775E-02 ppm1 8.398 ppm2 2.461 CV 1
ASSI { 693}
((resid 87 and name HN ))
((resid 86 and name HB2 ))
3.600 1.000 1.000 peak 693 weight 0.10000E+01 volume 0.36283E-02 ppm1 8.399 ppm2 2.367 CV 1
ASSI { 694}
((resid 87 and name HN ))
((resid 87 and name HB2 ))
2.500 0.500 0.500 peak 694 weight 0.10000E+01 volume 0.13590E-01 ppm1 8.400 ppm2 1.995 CV 1
ASSI { 713}
((resid 87 and name HN ))
((resid 86 and name HB3 ))
2.300 0.700 0.700 peak 713 weight 0.10000E+01 volume 0.60925E-02 ppm1 8.400 ppm2 2.092 CV 1
ASSI { 714}
((resid 87 and name HN ))
( resid 103 and name HD1%)
3.200 1.300 1.300 peak 714 weight 0.10000E+01 volume 0.95011E-03 ppm1 8.393 ppm2 0.815 CV 1
ASSI { 768}
((resid 119 and name HN ))
((resid 67 and name HN ))
3.300 1.400 1.400 peak 768 weight 0.10000E+01 volume 0.76426E-03 ppm1 8.330 ppm2 8.959 CV 1
ASSI { 769}
((resid 119 and name HN ))
((resid 118 and name HN ))
3.700 1.700 1.700 peak 769 weight 0.10000E+01 volume 0.38487E-03 ppm1 8.330 ppm2 8.606 CV 1
ASSI { 772}
((resid 119 and name HN ))
((resid 66 and name HA ))
2.300 0.600 0.600 peak 772 weight 0.10000E+01 volume 0.74014E-02 ppm1 8.331 ppm2 4.945 CV 1
ASSI { 773}
((resid 119 and name HN ))
((resid 118 and name HA ))
1.900 0.400 0.400 peak 773 weight 0.10000E+01 volume 0.22654E-01 ppm1 8.332 ppm2 4.250 CV 1
ASSI { 774}
((resid 119 and name HN ))
((resid 118 and name HB3 ))
2.900 1.100 1.100 peak 774 weight 0.10000E+01 volume 0.16074E-02 ppm1 8.329 ppm2 1.888 CV 1
ASSI { 775}
((resid 119 and name HN ))
((resid 118 and name HB2 ))
3.100 1.200 1.200 peak 775 weight 0.10000E+01 volume 0.10864E-02 ppm1 8.333 ppm2 1.819 CV 1
ASSI { 776}
((resid 119 and name HN ))
((resid 67 and name HB ))
3.000 1.100 1.100 peak 776 weight 0.10000E+01 volume 0.13368E-02 ppm1 8.330 ppm2 1.558 CV 1
ASSI { 778}
((resid 119 and name HN ))
( resid 119 and name HB% )
2.800 0.600 0.600 peak 778 weight 0.10000E+01 volume 0.93642E-02 ppm1 8.332 ppm2 1.245 CV 1
ASSI { 826}
((resid 84 and name HN ))
((resid 71 and name HA ))
2.700 0.900 0.900 peak 826 weight 0.10000E+01 volume 0.27675E-02 ppm1 8.342 ppm2 4.623 CV 1
ASSI { 873}
((resid 84 and name HN ))
((resid 84 and name HA ))
2.700 0.900 0.900 peak 873 weight 0.10000E+01 volume 0.28464E-02 ppm1 8.338 ppm2 3.351 CV 1
ASSI { 874}
((resid 84 and name HN ))
((resid 83 and name HB2 ))
3.200 1.300 1.300 peak 874 weight 0.10000E+01 volume 0.88165E-03 ppm1 8.341 ppm2 2.104 CV 1
ASSI { 875}
((resid 84 and name HN ))
((resid 84 and name HB3 ))
2.100 0.600 0.600 peak 875 weight 0.10000E+01 volume 0.10538E-01 ppm1 8.345 ppm2 1.687 CV 1
ASSI { 881}
((resid 84 and name HN ))
((resid 71 and name HB3 ))
3.000 1.100 1.100 peak 881 weight 0.10000E+01 volume 0.13544E-02 ppm1 8.341 ppm2 4.077 CV 1
ASSI { 1085}
((resid 81 and name HN ))
((resid 81 and name HA1 ))
2.600 0.800 0.800 peak 1085 weight 0.10000E+01 volume 0.34176E-02 ppm1 8.159 ppm2 4.353 CV 1
ASSI { 1086}
((resid 81 and name HN ))
((resid 81 and name HA2 ))
2.200 0.600 0.600 peak 1086 weight 0.10000E+01 volume 0.78904E-02 ppm1 8.161 ppm2 3.550 CV 1
ASSI { 1087}
((resid 81 and name HN ))
((resid 74 and name HG3 ))
3.200 1.300 1.300 peak 1087 weight 0.10000E+01 volume 0.86208E-03 ppm1 8.166 ppm2 2.033 CV 1
ASSI { 1088}
((resid 81 and name HN ))
((resid 74 and name HB3 ))
3.400 1.500 1.500 peak 1088 weight 0.10000E+01 volume 0.63129E-03 ppm1 8.166 ppm2 1.988 CV 1
ASSI { 1089}
((resid 81 and name HN ))
((resid 80 and name HG ))
2.500 0.800 0.800 peak 1089 weight 0.10000E+01 volume 0.39797E-02 ppm1 8.161 ppm2 1.751 CV 1
ASSI { 1090}
((resid 81 and name HN ))
( resid 80 and name HD1%)
2.300 0.700 0.700 peak 1090 weight 0.10000E+01 volume 0.65125E-02 ppm1 8.161 ppm2 0.804 CV 1
ASSI { 1091}
((resid 81 and name HN ))
((resid 80 and name HB3 ))
3.300 1.400 1.400 peak 1091 weight 0.10000E+01 volume 0.75253E-03 ppm1 8.161 ppm2 0.726 CV 1
ASSI { 1092}
((resid 81 and name HN ))
( resid 80 and name HD2%)
3.400 1.400 1.400 peak 1092 weight 0.10000E+01 volume 0.67623E-03 ppm1 8.166 ppm2 0.648 CV 1
ASSI { 1129}
((resid 94 and name HN ))
((resid 93 and name HN ))
3.200 1.200 1.200 peak 1129 weight 0.10000E+01 volume 0.10101E-02 ppm1 8.130 ppm2 8.592 CV 1
ASSI { 1131}
((resid 94 and name HN ))
((resid 98 and name HA ))
2.900 1.000 1.000 peak 1131 weight 0.10000E+01 volume 0.18317E-02 ppm1 8.130 ppm2 5.437 CV 1
ASSI { 1132}
((resid 94 and name HN ))
((resid 94 and name HA ))
2.800 1.000 1.000 peak 1132 weight 0.10000E+01 volume 0.19165E-02 ppm1 8.132 ppm2 4.592 CV 1
ASSI { 1134}
((resid 94 and name HN ))
((resid 93 and name HA ))
2.200 0.600 0.600 peak 1134 weight 0.10000E+01 volume 0.77209E-02 ppm1 8.130 ppm2 3.600 CV 1
ASSI { 1135}
((resid 94 and name HN ))
((resid 98 and name HD1 ))
2.900 1.000 1.000 peak 1135 weight 0.10000E+01 volume 0.17339E-02 ppm1 8.133 ppm2 6.877 CV 1
ASSI { 1181}
((resid 105 and name HN ))
((resid 107 and name HN ))
3.200 1.200 1.200 peak 1181 weight 0.10000E+01 volume 0.10160E-02 ppm1 8.121 ppm2 7.907 CV 1
ASSI { 1182}
((resid 105 and name HN ))
((resid 106 and name HN ))
2.300 0.700 0.700 peak 1182 weight 0.10000E+01 volume 0.62673E-02 ppm1 8.114 ppm2 7.659 CV 1
ASSI { 1185}
((resid 105 and name HN ))
((resid 105 and name HB ))
2.700 0.900 0.900 peak 1185 weight 0.10000E+01 volume 0.23978E-02 ppm1 8.116 ppm2 4.508 CV 1
ASSI { 1186}
((resid 105 and name HN ))
((resid 104 and name HA ))
3.000 1.100 1.100 peak 1186 weight 0.10000E+01 volume 0.14086E-02 ppm1 8.121 ppm2 4.281 CV 1
ASSI { 1187}
((resid 105 and name HN ))
((resid 104 and name HB ))
2.500 0.800 0.800 peak 1187 weight 0.10000E+01 volume 0.36864E-02 ppm1 8.116 ppm2 4.082 CV 1
ASSI { 1188}
((resid 105 and name HN ))
((resid 106 and name HA2 ))
3.700 1.700 1.700 peak 1188 weight 0.10000E+01 volume 0.37580E-03 ppm1 8.118 ppm2 3.818 CV 1
ASSI { 1189}
((resid 105 and name HN ))
( resid 105 and name HG2%)
2.300 0.700 0.700 peak 1189 weight 0.10000E+01 volume 0.69905E-02 ppm1 8.112 ppm2 1.261 CV 1
ASSI { 1202}
((resid 86 and name HN ))
((resid 85 and name HN ))
2.500 0.800 0.800 peak 1202 weight 0.10000E+01 volume 0.39849E-02 ppm1 8.114 ppm2 8.821 CV 1
ASSI { 1204}
((resid 86 and name HN ))
((resid 87 and name HN ))
6 6 1.0 peak 1204 weight 0.10000E+01 volume 0.10329E-02 ppm1 8.116 ppm2 8.396 CV 1
ASSI { 1206}
((resid 86 and name HN ))
((resid 85 and name HA2 ))
2.700 0.900 0.900 peak 1206 weight 0.10000E+01 volume 0.25680E-02 ppm1 8.115 ppm2 4.342 CV 1
ASSI { 1207}
((resid 86 and name HN ))
((resid 86 and name HA ))
2.500 0.800 0.800 peak 1207 weight 0.10000E+01 volume 0.38266E-02 ppm1 8.114 ppm2 4.177 CV 1
ASSI { 1208}
((resid 86 and name HN ))
((resid 85 and name HA1 ))
2.900 1.100 1.100 peak 1208 weight 0.10000E+01 volume 0.15553E-02 ppm1 8.118 ppm2 3.472 CV 1
ASSI { 1209}
((resid 86 and name HN ))
((resid 84 and name HA ))
3.000 1.100 1.100 peak 1209 weight 0.10000E+01 volume 0.13394E-02 ppm1 8.115 ppm2 3.339 CV 1
ASSI { 1210}
((resid 86 and name HN ))
((resid 86 and name HG3 ))
6.0 6 1.000 peak 1210 weight 0.10000E+01 volume 0.22484E-02 ppm1 8.113 ppm2 2.472 CV 1
ASSI { 1211}
((resid 86 and name HN ))
((resid 86 and name HB2 ))
2.100 0.600 0.600 peak 1211 weight 0.10000E+01 volume 0.10381E-01 ppm1 8.118 ppm2 2.374 CV 1
ASSI { 1212}
((resid 86 and name HN ))
((resid 86 and name HB3 ))
2.400 0.700 0.700 peak 1212 weight 0.10000E+01 volume 0.58872E-02 ppm1 8.113 ppm2 2.108 CV 1
ASSI { 1213}
((resid 86 and name HN ))
( resid 68 and name HB% )
2.300 0.700 0.700 peak 1213 weight 0.10000E+01 volume 0.69449E-02 ppm1 8.118 ppm2 1.659 CV 1
ASSI { 1376}
((resid 107 and name HN ))
((resid 102 and name HB3 ))
2.700 0.900 0.900 peak 1376 weight 0.10000E+01 volume 0.28066E-02 ppm1 7.915 ppm2 4.032 CV 1
ASSI { 1382}
((resid 107 and name HN ))
((resid 102 and name HN ))
3.300 1.400 1.400 peak 1382 weight 0.10000E+01 volume 0.74209E-03 ppm1 7.916 ppm2 8.767 CV 1
ASSI { 1384}
((resid 107 and name HN ))
((resid 106 and name HN ))
2.200 0.600 0.600 peak 1384 weight 0.10000E+01 volume 0.79752E-02 ppm1 7.915 ppm2 7.666 CV 1
ASSI { 1386}
((resid 107 and name HN ))
((resid 107 and name HA ))
2.200 0.600 0.600 peak 1386 weight 0.10000E+01 volume 0.90185E-02 ppm1 7.915 ppm2 4.206 CV 1
ASSI { 1387}
((resid 107 and name HN ))
((resid 106 and name HA2 ))
3.000 1.100 1.100 peak 1387 weight 0.10000E+01 volume 0.14841E-02 ppm1 7.914 ppm2 3.815 CV 1
ASSI { 1388}
((resid 107 and name HN ))
((resid 107 and name HG3 ))
2.400 0.700 0.700 peak 1388 weight 0.10000E+01 volume 0.58950E-02 ppm1 7.914 ppm2 2.411 CV 1
ASSI { 1389}
((resid 107 and name HN ))
((resid 107 and name HB3 ))
2.400 1.0 1.00 peak 1389 weight 0.10000E+01 volume 0.59041E-02 ppm1 7.914 ppm2 2.042 CV 1
ASSI { 1390}
((resid 107 and name HN ))
((resid 107 and name HB2 ))
2.200 0.600 0.600 peak 1390 weight 0.10000E+01 volume 0.91946E-02 ppm1 7.914 ppm2 1.921 CV 1
ASSI { 1397}
((resid 120 and name HN ))
((resid 119 and name HN ))
2.700 0.900 0.900 peak 1397 weight 0.10000E+01 volume 0.27473E-02 ppm1 7.922 ppm2 8.330 CV 1
ASSI { 1400}
((resid 120 and name HN ))
((resid 120 and name HA ))
2.600 0.900 0.900 peak 1400 weight 0.10000E+01 volume 0.29619E-02 ppm1 7.920 ppm2 4.415 CV 1
ASSI { 1401}
((resid 120 and name HN ))
((resid 119 and name HA ))
2.100 0.600 0.600 peak 1401 weight 0.10000E+01 volume 0.10714E-01 ppm1 7.921 ppm2 4.265 CV 1
ASSI { 1402}
((resid 120 and name HN ))
((resid 120 and name HB3 ))
3.100 1.200 1.200 peak 1402 weight 0.10000E+01 volume 0.11053E-02 ppm1 7.921 ppm2 2.709 CV 1
ASSI { 1403}
((resid 120 and name HN ))
((resid 118 and name HB3 ))
3.600 1.600 1.600 peak 1403 weight 0.10000E+01 volume 0.49722E-03 ppm1 7.921 ppm2 1.892 CV 1
ASSI { 1405}
((resid 120 and name HN ))
( resid 119 and name HB% )
4.5 0.8 0.800 peak 1405 weight 0.10000E+01 volume 0.36172E-02 ppm1 7.921 ppm2 1.251 CV 1
ASSI { 1414}
((resid 65 and name HN ))
((resid 65 and name HA ))
2.400 0.700 0.700 peak 1414 weight 0.10000E+01 volume 0.49821E-02 ppm1 7.896 ppm2 5.176 CV 1
ASSI { 1415}
((resid 65 and name HN ))
((resid 64 and name HA ))
6.0 6 1.00 peak 1415 weight 0.10000E+01 volume 0.14352E-01 ppm1 7.896 ppm2 4.673 CV 1
ASSI { 1416}
((resid 65 and name HN ))
((resid 65 and name HB3 ))
2.200 0.600 0.600 peak 1416 weight 0.10000E+01 volume 0.98728E-02 ppm1 7.894 ppm2 1.667 CV 1
ASSI { 1417}
((resid 65 and name HN ))
((resid 65 and name HG ))
6.0 6.00 1.00 peak 1417 weight 0.10000E+01 volume 0.62296E-02 ppm1 7.896 ppm2 1.526 CV 1
ASSI { 1419}
((resid 65 and name HN ))
( resid 65 and name HD1%)
6.00 6.000 1.000 peak 1419 weight 0.10000E+01 volume 0.16967E-02 ppm1 7.896 ppm2 0.835 CV 1
ASSI { 1420}
((resid 65 and name HN ))
( resid 65 and name HD2%)
6.0 6.000 1.000 peak 1420 weight 0.10000E+01 volume 0.18128E-02 ppm1 7.896 ppm2 0.771 CV 1
ASSI { 1439}
((resid 82 and name HN ))
((resid 72 and name HN ))
2.700 0.900 0.900 peak 1439 weight 0.10000E+01 volume 0.23300E-02 ppm1 7.877 ppm2 8.458 CV 1
ASSI { 1440}
((resid 82 and name HN ))
((resid 81 and name HN ))
3.600 1.600 1.600 peak 1440 weight 0.10000E+01 volume 0.43625E-03 ppm1 7.883 ppm2 8.156 CV 1
ASSI { 1442}
((resid 82 and name HN ))
( resid 72 and name HD% )
3.000 1.100 1.100 peak 1442 weight 0.10000E+01 volume 0.14497E-02 ppm1 7.879 ppm2 7.027 CV 1
ASSI { 1443}
((resid 82 and name HN ))
( resid 82 and name HD% )
2.900 1.000 1.000 peak 1443 weight 0.10000E+01 volume 0.17757E-02 ppm1 7.877 ppm2 6.964 CV 1
ASSI { 1444}
((resid 82 and name HN ))
((resid 82 and name HA ))
2.600 0.800 0.800 peak 1444 weight 0.10000E+01 volume 0.33864E-02 ppm1 7.881 ppm2 5.021 CV 1
ASSI { 1445}
((resid 82 and name HN ))
((resid 81 and name HA1 ))
2.200 0.600 0.600 peak 1445 weight 0.10000E+01 volume 0.90120E-02 ppm1 7.879 ppm2 4.347 CV 1
ASSI { 1446}
((resid 82 and name HN ))
((resid 81 and name HA2 ))
2.300 0.700 0.700 peak 1446 weight 0.10000E+01 volume 0.61148E-02 ppm1 7.883 ppm2 3.548 CV 1
ASSI { 1448}
((resid 82 and name HN ))
((resid 72 and name HB3 ))
3.000 1.100 1.100 peak 1448 weight 0.10000E+01 volume 0.13100E-02 ppm1 7.875 ppm2 1.024 CV 1
ASSI { 1451}
((resid 79 and name HN ))
((resid 80 and name HN ))
4.200 2.300 1.800 peak 1451 weight 0.10000E+01 volume 0.17046E-03 ppm1 7.865 ppm2 9.064 CV 1
ASSI { 1453}
((resid 79 and name HN ))
((resid 79 and name HA ))
2.700 0.900 0.900 peak 1453 weight 0.10000E+01 volume 0.27415E-02 ppm1 7.860 ppm2 5.324 CV 1
ASSI { 1454}
((resid 79 and name HN ))
((resid 78 and name HA2 ))
3.100 1.200 1.200 peak 1454 weight 0.10000E+01 volume 0.11973E-02 ppm1 7.860 ppm2 4.352 CV 1
ASSI { 1455}
((resid 79 and name HN ))
((resid 78 and name HA1 ))
2.900 1.100 1.100 peak 1455 weight 0.10000E+01 volume 0.15207E-02 ppm1 7.864 ppm2 3.934 CV 1
ASSI { 1456}
((resid 79 and name HN ))
((resid 79 and name HB2 ))
2.200 0.600 0.600 peak 1456 weight 0.10000E+01 volume 0.10114E-01 ppm1 7.867 ppm2 2.999 CV 1
ASSI { 1458}
((resid 79 and name HN ))
((resid 74 and name HB3 ))
4.500 3.300 1.300 peak 1458 weight 0.10000E+01 volume 0.93315E-03 ppm1 7.860 ppm2 1.991 CV 1
ASSI { 1496}
((resid 76 and name HN ))
((resid 79 and name HB2 ))
2.900 1.100 1.100 peak 1496 weight 0.10000E+01 volume 0.16329E-02 ppm1 7.810 ppm2 2.996 CV 1
ASSI { 1498}
((resid 76 and name HN ))
((resid 74 and name HB2 ))
5.000 3.100 1.100 peak 1498 weight 0.10000E+01 volume 0.14744E-02 ppm1 7.812 ppm2 1.989 CV 1
ASSI { 1504}
((resid 76 and name HN ))
((resid 75 and name HA ))
2.900 1.000 1.000 peak 1504 weight 0.10000E+01 volume 0.17339E-02 ppm1 7.812 ppm2 4.385 CV 1
ASSI { 1505}
((resid 76 and name HN ))
((resid 76 and name HB2 ))
2.800 1.000 1.000 peak 1505 weight 0.10000E+01 volume 0.19889E-02 ppm1 7.806 ppm2 2.830 CV 1
ASSI { 1524}
((resid 97 and name HN ))
((resid 96 and name HN ))
2.400 0.700 0.700 peak 1524 weight 0.10000E+01 volume 0.51973E-02 ppm1 7.742 ppm2 8.627 CV 1
ASSI { 1526}
((resid 97 and name HN ))
((resid 97 and name HD1 ))
2.900 1.100 1.100 peak 1526 weight 0.10000E+01 volume 0.15846E-02 ppm1 7.744 ppm2 7.087 CV 1
ASSI { 1527}
((resid 97 and name HN ))
((resid 98 and name HD1 ))
3.100 1.200 1.200 peak 1527 weight 0.10000E+01 volume 0.10890E-02 ppm1 7.744 ppm2 6.883 CV 1
ASSI { 1528}
((resid 97 and name HN ))
((resid 97 and name HA ))
2.900 1.000 1.000 peak 1528 weight 0.10000E+01 volume 0.18083E-02 ppm1 7.741 ppm2 5.216 CV 1
ASSI { 1529}
((resid 97 and name HN ))
((resid 97 and name HB2 ))
2.300 0.600 0.600 peak 1529 weight 0.10000E+01 volume 0.73166E-02 ppm1 7.741 ppm2 2.933 CV 1
ASSI { 1531}
((resid 97 and name HN ))
((resid 96 and name HB3 ))
2.500 0.800 0.800 peak 1531 weight 0.10000E+01 volume 0.38004E-02 ppm1 7.748 ppm2 1.731 CV 1
ASSI { 1539}
((resid 97 and name HN ))
((resid 96 and name HA ))
2.800 1.000 1.000 peak 1539 weight 0.10000E+01 volume 0.22706E-02 ppm1 7.745 ppm2 3.782 CV 1
ASSI { 1555}
((resid 92 and name HN ))
((resid 91 and name HN ))
2.200 0.600 0.600 peak 1555 weight 0.10000E+01 volume 0.81643E-02 ppm1 7.661 ppm2 9.209 CV 1
ASSI { 1558}
((resid 92 and name HN ))
((resid 100 and name HA ))
3.100 1.200 1.200 peak 1558 weight 0.10000E+01 volume 0.10578E-02 ppm1 7.661 ppm2 5.441 CV 1
ASSI { 1559}
((resid 92 and name HN ))
((resid 92 and name HA ))
2.300 0.700 0.700 peak 1559 weight 0.10000E+01 volume 0.65132E-02 ppm1 7.659 ppm2 4.301 CV 1
ASSI { 1561}
((resid 92 and name HN ))
((resid 92 and name HB3 ))
3.000 1.100 1.100 peak 1561 weight 0.10000E+01 volume 0.13186E-02 ppm1 7.658 ppm2 1.917 CV 1
ASSI { 1562}
((resid 92 and name HN ))
((resid 99 and name HB3 ))
2.600 0.900 0.900 peak 1562 weight 0.10000E+01 volume 0.30584E-02 ppm1 7.660 ppm2 1.653 CV 1
ASSI { 1563}
((resid 92 and name HN ))
((resid 91 and name HB2 ))
2.500 0.800 0.800 peak 1563 weight 0.10000E+01 volume 0.37515E-02 ppm1 7.661 ppm2 1.563 CV 1
ASSI { 1565}
((resid 92 and name HN ))
((resid 91 and name HB3 ))
2.700 0.900 0.900 peak 1565 weight 0.10000E+01 volume 0.24904E-02 ppm1 7.657 ppm2 1.239 CV 1
ASSI { 1566}
((resid 92 and name HN ))
( resid 91 and name HD1%)
3.400 1.500 1.500 peak 1566 weight 0.10000E+01 volume 0.63058E-03 ppm1 7.660 ppm2 0.666 CV 1
OR { 1566}
((resid 92 and name HN ))
( resid 91 and name HD2%)
ASSI { 1567}
((resid 92 and name HN ))
( resid 90 and name HG2%)
2.500 0.800 0.800 peak 1567 weight 0.10000E+01 volume 0.36746E-02 ppm1 7.660 ppm2 0.547 CV 1
ASSI { 1578}
((resid 101 and name HE21))
((resid 101 and name HE22))
1.800 0.400 0.400 peak 1578 weight 0.10000E+01 volume 0.30910E-01 ppm1 7.659 ppm2 6.750 CV 1
ASSI { 1579}
((resid 101 and name HE21))
((resid 101 and name HG3 ))
2.800 0.900 0.900 peak 1579 weight 0.10000E+01 volume 0.22856E-02 ppm1 7.659 ppm2 2.120 CV 1
ASSI { 1588}
((resid 106 and name HN ))
((resid 104 and name HN ))
3.200 1.300 1.300 peak 1588 weight 0.10000E+01 volume 0.91163E-03 ppm1 7.660 ppm2 8.480 CV 1
ASSI { 1594}
((resid 106 and name HN ))
((resid 105 and name HB ))
2.800 1.000 1.000 peak 1594 weight 0.10000E+01 volume 0.21422E-02 ppm1 7.666 ppm2 4.505 CV 1
ASSI { 1595}
((resid 106 and name HN ))
((resid 106 and name HA1 ))
2.100 0.600 0.600 peak 1595 weight 0.10000E+01 volume 0.10818E-01 ppm1 7.664 ppm2 4.250 CV 1
ASSI { 1596}
((resid 106 and name HN ))
((resid 102 and name HB2 ))
2.500 0.800 0.800 peak 1596 weight 0.10000E+01 volume 0.36778E-02 ppm1 7.666 ppm2 4.040 CV 1
ASSI { 1597}
((resid 106 and name HN ))
((resid 106 and name HA2 ))
2.100 0.600 0.600 peak 1597 weight 0.10000E+01 volume 0.10792E-01 ppm1 7.664 ppm2 3.824 CV 1
ASSI { 1599}
((resid 106 and name HN ))
( resid 105 and name HG2%)
3.100 1.200 1.200 peak 1599 weight 0.10000E+01 volume 0.10538E-02 ppm1 7.666 ppm2 1.258 CV 1
ASSI { 1603}
((resid 115 and name HN ))
((resid 114 and name HN ))
2.600 0.800 0.800 peak 1603 weight 0.10000E+01 volume 0.36309E-02 ppm1 7.665 ppm2 7.253 CV 1
ASSI { 1604}
((resid 115 and name HN ))
((resid 116 and name HN ))
2.200 0.600 0.600 peak 1604 weight 0.10000E+01 volume 0.96315E-02 ppm1 7.663 ppm2 7.027 CV 1
ASSI { 1605}
((resid 115 and name HN ))
((resid 115 and name HA ))
2.700 0.900 0.900 peak 1605 weight 0.10000E+01 volume 0.24167E-02 ppm1 7.662 ppm2 4.464 CV 1
ASSI { 1607}
((resid 115 and name HN ))
((resid 115 and name HB3 ))
2.700 0.900 0.900 peak 1607 weight 0.10000E+01 volume 0.26038E-02 ppm1 7.662 ppm2 3.607 CV 1
ASSI { 1608}
((resid 115 and name HN ))
((resid 115 and name HB2 ))
2.300 0.700 0.700 peak 1608 weight 0.10000E+01 volume 0.60828E-02 ppm1 7.662 ppm2 3.234 CV 1
ASSI { 1610}
((resid 115 and name HN ))
((resid 112 and name HB2 ))
3.600 1.600 1.600 peak 1610 weight 0.10000E+01 volume 0.46182E-03 ppm1 7.666 ppm2 1.258 CV 1
ASSI { 1611}
((resid 115 and name HN ))
( resid 116 and name HG2%)
3.000 1.100 1.100 peak 1611 weight 0.10000E+01 volume 0.12860E-02 ppm1 7.665 ppm2 0.671 CV 1
ASSI { 1612}
((resid 115 and name HN ))
((resid 112 and name HG2 ))
4.200 2.200 1.800 peak 1612 weight 0.10000E+01 volume 0.18918E-03 ppm1 7.658 ppm2 0.614 CV 1
ASSI { 1622}
((resid 73 and name HN ))
((resid 72 and name HN ))
6.00 2.400 1.600 peak 1622 weight 0.10000E+01 volume 0.14431E-03 ppm1 7.631 ppm2 8.460 CV 1
ASSI { 1625}
((resid 73 and name HN ))
( resid 72 and name HD% )
2.700 0.900 0.900 peak 1625 weight 0.10000E+01 volume 0.23736E-02 ppm1 7.626 ppm2 7.026 CV 1
ASSI { 1626}
((resid 73 and name HN ))
((resid 72 and name HA ))
2.000 0.500 0.500 peak 1626 weight 0.10000E+01 volume 0.15983E-01 ppm1 7.621 ppm2 4.624 CV 1
ASSI { 1627}
((resid 73 and name HN ))
((resid 73 and name HA ))
2.600 0.800 0.800 peak 1627 weight 0.10000E+01 volume 0.34927E-02 ppm1 7.622 ppm2 4.503 CV 1
ASSI { 1628}
((resid 73 and name HN ))
((resid 72 and name HB2 ))
3.400 1.400 1.400 peak 1628 weight 0.10000E+01 volume 0.67232E-03 ppm1 7.623 ppm2 2.253 CV 1
ASSI { 1629}
((resid 73 and name HN ))
((resid 73 and name HG3 ))
3.000 1.100 1.100 peak 1629 weight 0.10000E+01 volume 0.13375E-02 ppm1 7.625 ppm2 2.029 CV 1
ASSI { 1630}
((resid 73 and name HN ))
((resid 73 and name HB3 ))
2.500 0.800 0.800 peak 1630 weight 0.10000E+01 volume 0.37868E-02 ppm1 7.625 ppm2 1.691 CV 1
ASSI { 1631}
((resid 73 and name HN ))
((resid 73 and name HB2 ))
2.400 0.700 0.700 peak 1631 weight 0.10000E+01 volume 0.54646E-02 ppm1 7.625 ppm2 1.608 CV 1
ASSI { 1674}
((resid 113 and name HN ))
((resid 114 and name HN ))
3.500 1.600 1.600 peak 1674 weight 0.10000E+01 volume 0.51262E-03 ppm1 7.547 ppm2 7.247 CV 1
ASSI { 1675}
((resid 113 and name HN ))
( resid 113 and name HD% )
2.500 0.800 0.800 peak 1675 weight 0.10000E+01 volume 0.36687E-02 ppm1 7.549 ppm2 6.906 CV 1
ASSI { 1680}
((resid 113 and name HN ))
((resid 113 and name HB2 ))
2.700 0.900 0.900 peak 1680 weight 0.10000E+01 volume 0.25856E-02 ppm1 7.545 ppm2 1.104 CV 1
ASSI { 1692}
((resid 70 and name HN ))
((resid 69 and name HN ))
2.200 0.600 0.600 peak 1692 weight 0.10000E+01 volume 0.77405E-02 ppm1 7.527 ppm2 9.446 CV 1
ASSI { 1693}
((resid 70 and name HN ))
((resid 70 and name HA ))
2.700 0.900 0.900 peak 1693 weight 0.10000E+01 volume 0.24030E-02 ppm1 7.526 ppm2 4.525 CV 1
ASSI { 1697}
((resid 70 and name HN ))
((resid 70 and name HB2 ))
2.900 1.000 1.000 peak 1697 weight 0.10000E+01 volume 0.18291E-02 ppm1 7.529 ppm2 2.431 CV 1
ASSI { 1698}
((resid 70 and name HN ))
((resid 84 and name HB3 ))
5.200 1.000 1.000 peak 1698 weight 0.10000E+01 volume 0.34907E-02 ppm1 7.526 ppm2 1.668 CV 1
ASSI { 1699}
((resid 70 and name HN ))
((resid 69 and name HG ))
3.500 1.600 1.600 peak 1699 weight 0.10000E+01 volume 0.50864E-03 ppm1 7.526 ppm2 1.349 CV 1
ASSI { 1700}
((resid 70 and name HN ))
((resid 69 and name HB2 ))
3.100 1.200 1.200 peak 1700 weight 0.10000E+01 volume 0.11359E-02 ppm1 7.526 ppm2 1.221 CV 1
ASSI { 1701}
((resid 70 and name HN ))
((resid 69 and name HB3 ))
3.300 1.400 1.400 peak 1701 weight 0.10000E+01 volume 0.73101E-03 ppm1 7.526 ppm2 1.064 CV 1
ASSI { 1702}
((resid 70 and name HN ))
( resid 69 and name HD2%)
3.400 1.500 1.500 peak 1702 weight 0.10000E+01 volume 0.61793E-03 ppm1 7.526 ppm2 0.663 CV 1
ASSI { 1712}
((resid 120 and name HD22))
((resid 120 and name HD21))
1.800 0.400 0.400 peak 1712 weight 0.10000E+01 volume 0.25151E-01 ppm1 7.503 ppm2 6.802 CV 1
ASSI { 1714}
((resid 120 and name HD22))
((resid 120 and name HB3 ))
3.100 1.200 1.200 peak 1714 weight 0.10000E+01 volume 0.11835E-02 ppm1 7.491 ppm2 2.677 CV 1
ASSI { 1735}
((resid 64 and name HD22))
((resid 64 and name HD21))
1.800 0.400 0.400 peak 1735 weight 0.10000E+01 volume 0.33303E-01 ppm1 7.323 ppm2 6.633 CV 1
ASSI { 1736}
((resid 64 and name HD22))
((resid 64 and name HB3 ))
2.800 1.000 1.000 peak 1736 weight 0.10000E+01 volume 0.22080E-02 ppm1 7.320 ppm2 2.863 CV 1
ASSI { 1743}
((resid 114 and name HD22))
((resid 114 and name HD21))
2.100 0.500 0.500 peak 1743 weight 0.10000E+01 volume 0.13290E-01 ppm1 7.321 ppm2 6.522 CV 1
ASSI { 1755}
((resid 114 and name HN ))
((resid 116 and name HN ))
3.600 1.600 1.600 peak 1755 weight 0.10000E+01 volume 0.45693E-03 ppm1 7.250 ppm2 7.055 CV 1
ASSI { 1756}
((resid 114 and name HN ))
( resid 113 and name HD% )
3.400 1.500 1.500 peak 1756 weight 0.10000E+01 volume 0.60339E-03 ppm1 7.249 ppm2 6.903 CV 1
ASSI { 1761}
((resid 114 and name HN ))
((resid 112 and name HB2 ))
4.100 2.100 1.900 peak 1761 weight 0.10000E+01 volume 0.21663E-03 ppm1 7.252 ppm2 1.254 CV 1
ASSI { 1780}
((resid 87 and name HE21))
((resid 87 and name HE22))
1.700 0.400 0.500 peak 1780 weight 0.10000E+01 volume 0.43932E-01 ppm1 7.114 ppm2 6.713 CV 1
ASSI { 1781}
((resid 87 and name HE21))
((resid 87 and name HG2 ))
3.100 1.200 1.200 peak 1781 weight 0.10000E+01 volume 0.11751E-02 ppm1 7.110 ppm2 2.444 CV 1
ASSI { 1782}
((resid 87 and name HE21))
((resid 87 and name HB3 ))
3.900 1.900 1.900 peak 1782 weight 0.10000E+01 volume 0.29723E-03 ppm1 7.112 ppm2 2.081 CV 1
ASSI { 1798}
((resid 116 and name HN ))
((resid 115 and name HA ))
3.400 1.400 1.400 peak 1798 weight 0.10000E+01 volume 0.64375E-03 ppm1 7.027 ppm2 4.470 CV 1
ASSI { 1800}
((resid 116 and name HN ))
( resid 116 and name HG2%)
2.300 0.600 0.600 peak 1800 weight 0.10000E+01 volume 0.74209E-02 ppm1 7.025 ppm2 0.679 CV 1
ASSI { 1808}
((resid 107 and name HE22))
((resid 107 and name HE21))
1.700 0.300 0.500 peak 1808 weight 0.10000E+01 volume 0.46338E-01 ppm1 6.954 ppm2 7.566 CV 1
ASSI { 1865}
((resid 101 and name HE22))
((resid 101 and name HG3 ))
3.000 1.100 1.100 peak 1865 weight 0.10000E+01 volume 0.13870E-02 ppm1 6.751 ppm2 2.121 CV 1
ASSI { 1866}
((resid 101 and name HE22))
((resid 101 and name HG2 ))
3.400 1.400 1.400 peak 1866 weight 0.10000E+01 volume 0.66123E-03 ppm1 6.753 ppm2 1.997 CV 1
ASSI { 1868}
((resid 87 and name HE22))
((resid 87 and name HG2 ))
3.600 1.600 1.600 peak 1868 weight 0.10000E+01 volume 0.49840E-03 ppm1 6.723 ppm2 2.450 CV 1
ASSI { 1905}
((resid 93 and name HE21))
((resid 93 and name HE22))
1.800 0.400 0.400 peak 1905 weight 0.10000E+01 volume 0.32520E-01 ppm1 6.518 ppm2 5.890 CV 1
ASSI { 2041}
((resid 108 and name HN ))
((resid 107 and name HN ))
3.200 1.300 1.300 peak 2041 weight 0.10000E+01 volume 0.95402E-03 ppm1 8.538 ppm2 7.891 CV 1
ASSI { 2042}
((resid 64 and name HN ))
((resid 90 and name HN ))
4.800 2.900 1.200 peak 2042 weight 0.10000E+01 volume 0.84447E-04 ppm1 8.495 ppm2 8.936 CV 1
ASSI { 2053}
((resid 66 and name HN ))
((resid 118 and name HA ))
4.800 2.900 1.200 peak 2053 weight 0.10000E+01 volume 0.83991E-04 ppm1 9.032 ppm2 4.246 CV 1
ASSI { 2054}
((resid 66 and name HN ))
( resid 119 and name HB% )
4.200 1.800 1.800 peak 2054 weight 0.10000E+01 volume 0.31183E-03 ppm1 9.041 ppm2 1.245 CV 1
ASSI { 2055}
((resid 66 and name HN ))
((resid 88 and name HB3 ))
4.600 2.600 1.400 peak 2055 weight 0.10000E+01 volume 0.10935E-03 ppm1 9.039 ppm2 1.154 CV 1
ASSI { 2057}
((resid 79 and name HN ))
((resid 110 and name HN ))
4.400 2.400 1.600 peak 2057 weight 0.10000E+01 volume 0.14445E-03 ppm1 7.862 ppm2 8.699 CV 1
ASSI { 2059}
((resid 68 and name HN ))
((resid 67 and name HN ))
4.000 2.000 2.000 peak 2059 weight 0.10000E+01 volume 0.22798E-03 ppm1 8.533 ppm2 8.964 CV 1
ASSI { 2060}
((resid 68 and name HN ))
((resid 88 and name HN ))
3.600 1.600 1.600 peak 2060 weight 0.10000E+01 volume 0.47199E-03 ppm1 8.530 ppm2 8.765 CV 1
ASSI { 2061}
((resid 68 and name HN ))
((resid 86 and name HB3 ))
4.100 2.100 1.900 peak 2061 weight 0.10000E+01 volume 0.20841E-03 ppm1 8.534 ppm2 2.097 CV 1
ASSI { 2062}
((resid 68 and name HN ))
( resid 116 and name HG1%)
5.200 3.400 0.800 peak 2062 weight 0.10000E+01 volume 0.48927E-04 ppm1 8.532 ppm2 0.375 CV 1
ASSI { 2065}
((resid 70 and name HN ))
((resid 116 and name HA ))
5.000 3.200 1.000 peak 2065 weight 0.10000E+01 volume 0.60893E-04 ppm1 7.528 ppm2 5.242 CV 1
ASSI { 2066}
((resid 70 and name HN ))
((resid 115 and name HB3 ))
4.400 2.500 1.600 peak 2066 weight 0.10000E+01 volume 0.13133E-03 ppm1 7.528 ppm2 3.616 CV 1
ASSI { 2074}
((resid 73 and name HN ))
( resid 72 and name HE% )
4.100 2.100 1.900 peak 2074 weight 0.10000E+01 volume 0.20475E-03 ppm1 7.621 ppm2 6.707 CV 1
ASSI { 2075}
((resid 73 and name HN ))
((resid 74 and name HD3 ))
3.800 1.800 1.800 peak 2075 weight 0.10000E+01 volume 0.31183E-03 ppm1 7.623 ppm2 3.555 CV 1
ASSI { 2079}
((resid 71 and name HN ))
((resid 84 and name HA ))
4.800 2.800 1.200 peak 2079 weight 0.10000E+01 volume 0.86078E-04 ppm1 8.984 ppm2 3.356 CV 1
ASSI { 2080}
((resid 71 and name HN ))
((resid 84 and name HG2 ))
4.800 2.800 1.200 peak 2080 weight 0.10000E+01 volume 0.85425E-04 ppm1 8.977 ppm2 1.032 CV 1
ASSI { 2082}
((resid 75 and name HN ))
( resid 72 and name HE% )
3.800 1.800 1.800 peak 2082 weight 0.10000E+01 volume 0.31581E-03 ppm1 8.594 ppm2 6.708 CV 1
ASSI { 2094}
((resid 80 and name HN ))
( resid 72 and name HD% )
4.400 2.500 1.600 peak 2094 weight 0.10000E+01 volume 0.13257E-03 ppm1 9.082 ppm2 6.699 CV 1
ASSI { 2098}
((resid 81 and name HN ))
((resid 80 and name HN ))
4.700 2.800 1.300 peak 2098 weight 0.10000E+01 volume 0.89990E-04 ppm1 8.168 ppm2 9.083 CV 1
ASSI { 2100}
((resid 81 and name HN ))
( resid 82 and name HD% )
4.300 2.300 1.700 peak 2100 weight 0.10000E+01 volume 0.16954E-03 ppm1 8.166 ppm2 6.980 CV 1
ASSI { 2101}
((resid 82 and name HN ))
((resid 72 and name HB2 ))
3.800 1.800 1.800 peak 2101 weight 0.10000E+01 volume 0.34678E-03 ppm1 7.885 ppm2 2.249 CV 1
ASSI { 2103}
((resid 82 and name HN ))
((resid 73 and name HA ))
3.400 1.400 1.400 peak 2103 weight 0.10000E+01 volume 0.70818E-03 ppm1 7.881 ppm2 4.498 CV 1
ASSI { 2104}
((resid 82 and name HN ))
((resid 72 and name HA ))
3.400 1.400 1.400 peak 2104 weight 0.10000E+01 volume 0.67232E-03 ppm1 7.883 ppm2 4.619 CV 1
ASSI { 2107}
((resid 83 and name HN ))
((resid 82 and name HN ))
3.900 1.900 1.900 peak 2107 weight 0.10000E+01 volume 0.26613E-03 ppm1 8.983 ppm2 7.878 CV 1
ASSI { 2109}
((resid 83 and name HN ))
( resid 68 and name HB% )
4.800 2.900 1.200 peak 2109 weight 0.10000E+01 volume 0.77274E-04 ppm1 8.983 ppm2 1.666 CV 1
ASSI { 2110}
((resid 84 and name HN ))
((resid 83 and name HN ))
3.600 1.600 1.600 peak 2110 weight 0.10000E+01 volume 0.45628E-03 ppm1 8.343 ppm2 8.975 CV 1
ASSI { 2111}
((resid 84 and name HN ))
((resid 85 and name HN ))
3.700 1.700 1.700 peak 2111 weight 0.10000E+01 volume 0.40867E-03 ppm1 8.340 ppm2 8.827 CV 1
ASSI { 2113}
((resid 84 and name HN ))
((resid 83 and name HG2 ))
3.400 1.400 1.400 peak 2113 weight 0.10000E+01 volume 0.68014E-03 ppm1 8.347 ppm2 2.367 CV 1
OR { 2113}
((resid 84 and name HN ))
((resid 83 and name HG3 ))
ASSI { 2114}
((resid 86 and name HN ))
( resid 67 and name HG2%)
4.100 2.100 1.900 peak 2114 weight 0.10000E+01 volume 0.19980E-03 ppm1 8.118 ppm2 0.758 CV 1
ASSI { 2115}
((resid 86 and name HN ))
((resid 83 and name HB3 ))
4.500 2.500 1.500 peak 2115 weight 0.10000E+01 volume 0.12821E-03 ppm1 8.113 ppm2 1.929 CV 1
ASSI { 2117}
((resid 86 and name HN ))
((resid 83 and name HN ))
3.600 1.700 1.700 peak 2117 weight 0.10000E+01 volume 0.43091E-03 ppm1 8.117 ppm2 8.976 CV 1
ASSI { 2120}
((resid 87 and name HE22))
((resid 87 and name HB3 ))
3.700 1.800 1.800 peak 2120 weight 0.10000E+01 volume 0.36218E-03 ppm1 6.724 ppm2 2.089 CV 1
ASSI { 2121}
((resid 87 and name HE21))
( resid 65 and name HD2%)
3.600 1.700 1.700 peak 2121 weight 0.10000E+01 volume 0.43013E-03 ppm1 7.107 ppm2 0.777 CV 1
ASSI { 2122}
((resid 87 and name HE21))
( resid 65 and name HD1%)
3.600 1.600 1.600 peak 2122 weight 0.10000E+01 volume 0.44877E-03 ppm1 7.107 ppm2 0.835 CV 1
ASSI { 2124}
((resid 87 and name HE22))
( resid 65 and name HD1%)
3.700 1.700 1.700 peak 2124 weight 0.10000E+01 volume 0.39752E-03 ppm1 6.725 ppm2 0.833 CV 1
ASSI { 2129}
((resid 88 and name HN ))
((resid 87 and name HN ))
3.700 1.700 1.700 peak 2129 weight 0.10000E+01 volume 0.37215E-03 ppm1 8.779 ppm2 8.388 CV 1
ASSI { 2131}
((resid 89 and name HN ))
((resid 101 and name HB3 ))
3.800 1.900 1.900 peak 2131 weight 0.10000E+01 volume 0.30864E-03 ppm1 8.758 ppm2 1.948 CV 1
ASSI { 2135}
((resid 90 and name HN ))
((resid 91 and name HN ))
4.700 2.800 1.300 peak 2135 weight 0.10000E+01 volume 0.87903E-04 ppm1 8.937 ppm2 9.197 CV 1
ASSI { 2139}
((resid 91 and name HN ))
((resid 90 and name HB ))
3.700 1.700 1.700 peak 2139 weight 0.10000E+01 volume 0.39661E-03 ppm1 9.214 ppm2 1.953 CV 1
ASSI { 2142}
((resid 93 and name HN ))
((resid 92 and name HN ))
3.600 1.700 1.700 peak 2142 weight 0.10000E+01 volume 0.42472E-03 ppm1 8.597 ppm2 7.655 CV 1
ASSI { 2143}
((resid 92 and name HN ))
((resid 92 and name HG2 ))
3.800 1.800 1.800 peak 2143 weight 0.10000E+01 volume 0.31053E-03 ppm1 7.659 ppm2 2.131 CV 1
ASSI { 2144}
((resid 92 and name HN ))
((resid 92 and name HG3 ))
4.200 2.200 1.800 peak 2144 weight 0.10000E+01 volume 0.17685E-03 ppm1 7.659 ppm2 2.223 CV 1
ASSI { 2148}
((resid 94 and name HN ))
((resid 93 and name HG2 ))
4.500 2.600 1.500 peak 2148 weight 0.10000E+01 volume 0.11555E-03 ppm1 8.122 ppm2 0.800 CV 1
ASSI { 2149}
((resid 94 and name HN ))
((resid 93 and name HG3 ))
3.700 1.700 1.700 peak 2149 weight 0.10000E+01 volume 0.36485E-03 ppm1 8.124 ppm2 0.967 CV 1
ASSI { 2150}
((resid 94 and name HN ))
((resid 93 and name HB3 ))
4.500 2.500 1.500 peak 2150 weight 0.10000E+01 volume 0.11999E-03 ppm1 8.132 ppm2 1.167 CV 1
ASSI { 2151}
((resid 94 and name HN ))
((resid 92 and name HA ))
5.200 3.400 0.800 peak 2151 weight 0.10000E+01 volume 0.50818E-04 ppm1 8.126 ppm2 4.293 CV 1
ASSI { 2154}
((resid 95 and name HN ))
((resid 98 and name HD1 ))
5.300 3.500 0.700 peak 2154 weight 0.10000E+01 volume 0.44356E-04 ppm1 8.497 ppm2 6.877 CV 1
ASSI { 2155}
((resid 96 and name HN ))
((resid 97 and name HD1 ))
4.900 3.100 1.100 peak 2155 weight 0.10000E+01 volume 0.68210E-04 ppm1 8.632 ppm2 7.090 CV 1
ASSI { 2156}
((resid 96 and name HN ))
((resid 98 and name HD1 ))
5.100 3.200 0.900 peak 2156 weight 0.10000E+01 volume 0.56987E-04 ppm1 8.632 ppm2 6.882 CV 1
ASSI { 2157}
((resid 97 and name HN ))
((resid 98 and name HN ))
5.000 3.100 1.000 peak 2157 weight 0.10000E+01 volume 0.67427E-04 ppm1 7.742 ppm2 9.012 CV 1
ASSI { 2159}
((resid 97 and name HE1 ))
((resid 96 and name HG2 ))
4.400 2.500 1.600 peak 2159 weight 0.10000E+01 volume 0.13120E-03 ppm1 9.962 ppm2 1.844 CV 1
ASSI { 2160}
((resid 97 and name HE1 ))
((resid 97 and name HB2 ))
4.200 2.200 1.800 peak 2160 weight 0.10000E+01 volume 0.18747E-03 ppm1 9.964 ppm2 2.929 CV 1
ASSI { 2164}
((resid 98 and name HN ))
((resid 98 and name HD1 ))
4.200 2.200 1.800 peak 2164 weight 0.10000E+01 volume 0.18351E-03 ppm1 9.019 ppm2 6.887 CV 1
ASSI { 2168}
((resid 98 and name HN ))
((resid 99 and name HN ))
4.500 2.500 1.500 peak 2168 weight 0.10000E+01 volume 0.12351E-03 ppm1 9.020 ppm2 8.716 CV 1
ASSI { 2170}
((resid 98 and name HE1 ))
((resid 95 and name HN ))
5.200 3.300 0.800 peak 2170 weight 0.10000E+01 volume 0.53022E-04 ppm1 9.527 ppm2 8.490 CV 1
ASSI { 2173}
((resid 98 and name HE1 ))
((resid 93 and name HG2 ))
5.200 3.400 0.800 peak 2173 weight 0.10000E+01 volume 0.48405E-04 ppm1 9.521 ppm2 0.805 CV 1
ASSI { 2174}
((resid 99 and name HN ))
((resid 98 and name HD1 ))
3.700 1.700 1.700 peak 2174 weight 0.10000E+01 volume 0.38344E-03 ppm1 8.720 ppm2 6.885 CV 1
ASSI { 2177}
((resid 99 and name HN ))
((resid 91 and name HN ))
4.700 2.700 1.300 peak 2177 weight 0.10000E+01 volume 0.94881E-04 ppm1 8.723 ppm2 9.217 CV 1
ASSI { 2178}
((resid 100 and name HN ))
((resid 91 and name HN ))
4.500 2.500 1.500 peak 2178 weight 0.10000E+01 volume 0.12181E-03 ppm1 9.403 ppm2 9.204 CV 1
ASSI { 2179}
((resid 100 and name HN ))
((resid 101 and name HN ))
4.700 2.700 1.300 peak 2179 weight 0.10000E+01 volume 0.94098E-04 ppm1 9.407 ppm2 8.964 CV 1
ASSI { 2189}
((resid 101 and name HN ))
((resid 101 and name HG2 ))
3.500 1.500 1.500 peak 2189 weight 0.10000E+01 volume 0.53172E-03 ppm1 8.957 ppm2 2.097 CV 1
ASSI { 2191}
((resid 101 and name HE21))
( resid 91 and name HD2%)
4.700 2.800 1.300 peak 2191 weight 0.10000E+01 volume 0.93120E-04 ppm1 7.669 ppm2 0.676 CV 1
ASSI { 2193}
((resid 101 and name HE21))
((resid 103 and name HG ))
5.900 4.400 0.100 peak 2193 weight 0.10000E+01 volume 0.23515E-04 ppm1 7.662 ppm2 1.713 CV 1
ASSI { 2196}
((resid 101 and name HE21))
((resid 106 and name HA1 ))
4.200 2.200 1.800 peak 2196 weight 0.10000E+01 volume 0.17685E-03 ppm1 7.661 ppm2 4.232 CV 1
ASSI { 2198}
((resid 101 and name HE22))
((resid 106 and name HA1 ))
5.300 3.500 0.700 peak 2198 weight 0.10000E+01 volume 0.46671E-04 ppm1 6.757 ppm2 4.217 CV 1
ASSI { 2199}
((resid 101 and name HE21))
((resid 108 and name HG3 ))
4.000 2.000 2.000 peak 2199 weight 0.10000E+01 volume 0.25778E-03 ppm1 7.657 ppm2 2.241 CV 1
ASSI { 2200}
((resid 101 and name HE22))
((resid 108 and name HG3 ))
4.900 3.000 1.100 peak 2200 weight 0.10000E+01 volume 0.69122E-04 ppm1 6.751 ppm2 2.261 CV 1
ASSI { 2201}
((resid 102 and name HN ))
((resid 88 and name HA ))
5.300 3.500 0.700 peak 2201 weight 0.10000E+01 volume 0.45498E-04 ppm1 8.769 ppm2 5.027 CV 1
ASSI { 2202}
((resid 102 and name HN ))
( resid 100 and name HB% )
4.800 2.900 1.200 peak 2202 weight 0.10000E+01 volume 0.81513E-04 ppm1 8.768 ppm2 1.213 CV 1
ASSI { 2205}
((resid 103 and name HN ))
((resid 87 and name HB3 ))
3.800 1.800 1.800 peak 2205 weight 0.10000E+01 volume 0.35227E-03 ppm1 8.869 ppm2 1.982 CV 1
ASSI { 2208}
((resid 104 and name HN ))
( resid 88 and name HD2%)
4.600 2.700 1.400 peak 2208 weight 0.10000E+01 volume 0.10485E-03 ppm1 8.482 ppm2 0.632 CV 1
ASSI { 2210}
((resid 104 and name HN ))
((resid 105 and name HB ))
3.900 1.900 1.900 peak 2210 weight 0.10000E+01 volume 0.28575E-03 ppm1 8.480 ppm2 4.515 CV 1
ASSI { 2212}
((resid 105 and name HN ))
((resid 102 and name HB2 ))
3.400 1.400 1.400 peak 2212 weight 0.10000E+01 volume 0.65406E-03 ppm1 8.116 ppm2 4.023 CV 1
ASSI { 2213}
((resid 105 and name HN ))
((resid 102 and name HN ))
4.600 2.700 1.400 peak 2213 weight 0.10000E+01 volume 0.10277E-03 ppm1 8.116 ppm2 8.754 CV 1
ASSI { 2214}
((resid 105 and name HN ))
((resid 103 and name HN ))
6.000 5.900 0.000 peak 2214 weight 0.10000E+01 volume 0.97033E-05 ppm1 8.118 ppm2 8.861 CV 1
ASSI { 2217}
((resid 106 and name HN ))
( resid 80 and name HD1%)
4.500 2.500 1.500 peak 2217 weight 0.10000E+01 volume 0.12637E-03 ppm1 7.662 ppm2 0.797 CV 1
ASSI { 2219}
((resid 107 and name HE22))
((resid 107 and name HG3 ))
3.500 1.500 1.500 peak 2219 weight 0.10000E+01 volume 0.56902E-03 ppm1 6.955 ppm2 2.409 CV 1
ASSI { 2221}
((resid 68 and name HN ))
((resid 69 and name HN ))
5.200 3.400 0.800 peak 2221 weight 0.10000E+01 volume 0.49906E-04 ppm1 8.531 ppm2 9.441 CV 1
ASSI { 2222}
((resid 88 and name HN ))
( resid 88 and name HD1%)
3.500 1.500 1.500 peak 2222 weight 0.10000E+01 volume 0.57600E-03 ppm1 8.773 ppm2 0.036 CV 1
ASSI { 2224}
((resid 108 and name HN ))
( resid 80 and name HD2%)
4.600 2.600 1.400 peak 2224 weight 0.10000E+01 volume 0.11145E-03 ppm1 8.540 ppm2 0.656 CV 1
ASSI { 2226}
((resid 109 and name HN ))
((resid 108 and name HG3 ))
4.000 2.000 2.000 peak 2226 weight 0.10000E+01 volume 0.23509E-03 ppm1 8.721 ppm2 2.246 CV 1
ASSI { 2227}
((resid 109 and name HN ))
((resid 99 and name HA ))
3.900 1.900 1.900 peak 2227 weight 0.10000E+01 volume 0.28490E-03 ppm1 8.720 ppm2 4.431 CV 1
ASSI { 2229}
((resid 109 and name HN ))
((resid 100 and name HA ))
5.000 3.200 1.000 peak 2229 weight 0.10000E+01 volume 0.61858E-04 ppm1 8.721 ppm2 5.446 CV 1
ASSI { 2232}
((resid 110 and name HN ))
((resid 111 and name HN ))
4.600 2.600 1.400 peak 2232 weight 0.10000E+01 volume 0.11164E-03 ppm1 8.704 ppm2 9.565 CV 1
ASSI { 2234}
((resid 110 and name HN ))
((resid 79 and name HB3 ))
3.500 1.500 1.500 peak 2234 weight 0.10000E+01 volume 0.56198E-03 ppm1 8.706 ppm2 2.952 CV 1
OR { 2234}
((resid 110 and name HN ))
((resid 79 and name HB2 ))
ASSI { 2236}
((resid 110 and name HN ))
((resid 80 and name HG ))
4.900 3.000 1.100 peak 2236 weight 0.10000E+01 volume 0.73818E-04 ppm1 8.699 ppm2 1.755 CV 1
ASSI { 2237}
((resid 110 and name HN ))
((resid 99 and name HA ))
4.000 2.000 2.000 peak 2237 weight 0.10000E+01 volume 0.22895E-03 ppm1 8.701 ppm2 4.364 CV 1
ASSI { 2238}
((resid 110 and name HN ))
((resid 80 and name HA ))
4.900 3.100 1.100 peak 2238 weight 0.10000E+01 volume 0.68144E-04 ppm1 8.704 ppm2 4.525 CV 1
ASSI { 2243}
((resid 111 and name HN ))
( resid 100 and name HB% )
4.200 2.200 1.800 peak 2243 weight 0.10000E+01 volume 0.18911E-03 ppm1 9.566 ppm2 1.211 CV 1
ASSI { 2244}
((resid 113 and name HN ))
((resid 112 and name HB2 ))
3.900 1.900 1.900 peak 2244 weight 0.10000E+01 volume 0.30395E-03 ppm1 7.549 ppm2 1.231 CV 1
ASSI { 2246}
((resid 113 and name HN ))
((resid 98 and name HN ))
4.500 2.500 1.500 peak 2246 weight 0.10000E+01 volume 0.11862E-03 ppm1 7.538 ppm2 9.011 CV 1
ASSI { 2251}
((resid 116 and name HN ))
((resid 115 and name HB3 ))
4.800 2.900 1.200 peak 2251 weight 0.10000E+01 volume 0.77730E-04 ppm1 7.030 ppm2 3.623 CV 1
ASSI { 2252}
((resid 116 and name HN ))
((resid 115 and name HB2 ))
4.300 2.400 1.700 peak 2252 weight 0.10000E+01 volume 0.15051E-03 ppm1 7.027 ppm2 3.232 CV 1
ASSI { 2253}
((resid 116 and name HN ))
((resid 116 and name HB ))
3.800 1.800 1.800 peak 2253 weight 0.10000E+01 volume 0.33505E-03 ppm1 7.019 ppm2 1.767 CV 1
ASSI { 2257}
((resid 116 and name HN ))
((resid 117 and name HN ))
4.400 1.800 1.800 peak 2257 weight 0.10000E+01 volume 0.33237E-03 ppm1 7.029 ppm2 8.554 CV 1
ASSI { 2260}
((resid 119 and name HN ))
((resid 66 and name HB ))
3.500 1.500 1.500 peak 2260 weight 0.10000E+01 volume 0.53459E-03 ppm1 8.330 ppm2 2.015 CV 1
ASSI { 2262}
((resid 120 and name HN ))
( resid 66 and name HG1%)
6.00 6.0 1.00 peak 2262 weight 0.10000E+01 volume 0.29534E-03 ppm1 7.920 ppm2 0.781 CV 1
ASSI { 2264}
((resid 115 and name HN ))
((resid 82 and name HZ ))
3.900 1.900 1.900 peak 2264 weight 0.10000E+01 volume 0.28555E-03 ppm1 7.662 ppm2 6.791 CV 1
ASSI { 2275}
((resid 90 and name HN ))
((resid 89 and name HD2 ))
5.000 3.100 1.000 peak 2275 weight 0.10000E+01 volume 0.67362E-04 ppm1 8.942 ppm2 3.135 CV 1
ASSI { 2276}
((resid 90 and name HN ))
((resid 100 and name HA ))
4.300 2.300 1.700 peak 2276 weight 0.10000E+01 volume 0.16655E-03 ppm1 8.942 ppm2 5.436 CV 1
ASSI { 2279}
((resid 90 and name HN ))
((resid 64 and name HA ))
4.200 2.200 1.800 peak 2279 weight 0.10000E+01 volume 0.19106E-03 ppm1 8.928 ppm2 4.677 CV 1
ASSI { 2282}
((resid 99 and name HN ))
((resid 100 and name HN ))
4.500 2.500 1.500 peak 2282 weight 0.10000E+01 volume 0.12749E-03 ppm1 8.722 ppm2 9.403 CV 1
ASSI { 2284}
((resid 99 and name HN ))
( resid 110 and name HD% )
5.200 3.400 0.800 peak 2284 weight 0.10000E+01 volume 0.51046E-04 ppm1 8.722 ppm2 7.193 CV 1
ASSI { 2293}
((resid 94 and name HN ))
((resid 99 and name HN ))
4.100 2.100 1.900 peak 2293 weight 0.10000E+01 volume 0.20985E-03 ppm1 8.128 ppm2 8.714 CV 1
ASSI { 2294}
((resid 94 and name HN ))
((resid 98 and name HE1 ))
4.200 2.200 1.800 peak 2294 weight 0.10000E+01 volume 0.19211E-03 ppm1 8.135 ppm2 9.519 CV 1
ASSI { 2300}
((resid 98 and name HE1 ))
((resid 94 and name HA ))
5.500 3.700 0.500 peak 2300 weight 0.10000E+01 volume 0.38017E-04 ppm1 9.531 ppm2 4.591 CV 1
ASSI { 2303}
((resid 95 and name HN ))
((resid 97 and name HN ))
5.800 4.200 0.200 peak 2303 weight 0.10000E+01 volume 0.26560E-04 ppm1 8.497 ppm2 7.736 CV 1
ASSI { 2305}
((resid 111 and name HN ))
((resid 100 and name HN ))
3.400 1.500 1.500 peak 2305 weight 0.10000E+01 volume 0.61193E-03 ppm1 9.576 ppm2 9.404 CV 1
ASSI { 2309}
((resid 64 and name HN ))
((resid 64 and name HD22))
4.200 2.200 1.800 peak 2309 weight 0.10000E+01 volume 0.18031E-03 ppm1 8.489 ppm2 7.316 CV 1
ASSI { 2313}
((resid 68 and name HN ))
( resid 82 and name HD% )
5.100 3.200 0.900 peak 2313 weight 0.10000E+01 volume 0.59191E-04 ppm1 8.532 ppm2 6.974 CV 1
ASSI { 2316}
((resid 89 and name HN ))
((resid 89 and name HD2 ))
4.600 2.700 1.400 peak 2316 weight 0.10000E+01 volume 0.10323E-03 ppm1 8.756 ppm2 3.133 CV 1
OR { 2316}
((resid 89 and name HN ))
((resid 89 and name HD3 ))
ASSI { 2318}
((resid 89 and name HN ))
((resid 102 and name HA ))
4.500 2.600 1.500 peak 2318 weight 0.10000E+01 volume 0.11601E-03 ppm1 8.761 ppm2 4.667 CV 1
ASSI { 2323}
((resid 65 and name HN ))
((resid 66 and name HN ))
3.300 1.400 1.400 peak 2323 weight 0.10000E+01 volume 0.77339E-03 ppm1 7.896 ppm2 9.043 CV 1
ASSI { 2324}
((resid 83 and name HN ))
( resid 88 and name HD1%)
6.0 1.4 1.400 peak 2324 weight 0.10000E+01 volume 0.10160E-03 ppm1 8.983 ppm2 0.035 CV 1
ASSI { 2329}
((resid 115 and name HN ))
((resid 116 and name HA ))
4.400 2.400 1.600 peak 2329 weight 0.10000E+01 volume 0.13890E-03 ppm1 7.661 ppm2 5.236 CV 1
ASSI { 2330}
((resid 117 and name HN ))
((resid 66 and name HA ))
4.400 1.700 1.700 peak 2330 weight 0.10000E+01 volume 0.37346E-03 ppm1 8.554 ppm2 4.938 CV 1
ASSI { 2333}
((resid 72 and name HN ))
((resid 84 and name HB3 ))
5.500 3.800 0.500 peak 2333 weight 0.10000E+01 volume 0.36127E-04 ppm1 8.460 ppm2 1.625 CV 1
ASSI { 2355}
((resid 88 and name HN ))
( resid 88 and name HD2%)
4.200 2.200 1.800 peak 2355 weight 0.10000E+01 volume 0.19165E-03 ppm1 8.775 ppm2 0.650 CV 1
ASSI { 2359}
((resid 69 and name HN ))
((resid 116 and name HB ))
3.800 1.800 1.800 peak 2359 weight 0.10000E+01 volume 0.34438E-03 ppm1 9.445 ppm2 1.761 CV 1
ASSI { 2361}
((resid 120 and name HN ))
((resid 120 and name HB2 ))
2.900 1.000 1.000 peak 2361 weight 0.10000E+01 volume 0.18304E-02 ppm1 7.921 ppm2 2.656 CV 1
ASSI { 2362}
((resid 70 and name HN ))
((resid 70 and name HD2 ))
4.700 2.800 1.300 peak 2362 weight 0.10000E+01 volume 0.93903E-04 ppm1 7.529 ppm2 6.424 CV 1
ASSI { 2373}
((resid 106 and name HN ))
((resid 103 and name HN ))
6.000 6.000 0.000 peak 2373 weight 0.10000E+01 volume 0.86403E-05 ppm1 7.664 ppm2 8.890 CV 1
ASSI { 2380}
((resid 101 and name HN ))
( resid 111 and name HD1%)
4.300 2.300 1.700 peak 2380 weight 0.10000E+01 volume 0.15872E-03 ppm1 8.959 ppm2 0.455 CV 1
ASSI { 2383}
((resid 92 and name HN ))
( resid 90 and name HD1%)
3.600 1.600 1.600 peak 2383 weight 0.10000E+01 volume 0.45628E-03 ppm1 7.663 ppm2 0.738 CV 1
ASSI { 2390}
((resid 89 and name HN ))
( resid 100 and name HB% )
2.800 1.000 1.000 peak 2390 weight 0.10000E+01 volume 0.19908E-02 ppm1 8.760 ppm2 1.212 CV 1
ASSI { 2399}
((resid 88 and name HN ))
((resid 65 and name HB3 ))
4.800 2.900 1.200 peak 2399 weight 0.10000E+01 volume 0.82425E-04 ppm1 8.777 ppm2 1.708 CV 1
ASSI { 2404}
((resid 93 and name HE21))
((resid 98 and name HH2 ))
4.300 2.300 1.700 peak 2404 weight 0.10000E+01 volume 0.15213E-03 ppm1 6.522 ppm2 7.224 CV 1
ASSI { 2406}
((resid 79 and name HN ))
((resid 110 and name HB2 ))
3.200 1.300 1.300 peak 2406 weight 0.10000E+01 volume 0.98077E-03 ppm1 7.860 ppm2 3.132 CV 1
ASSI { 2414}
((resid 65 and name HN ))
( resid 119 and name HB% )
6.000 1.100 1.000 peak 2414 weight 0.10000E+01 volume 0.62967E-04 ppm1 7.900 ppm2 1.241 CV 1
ASSI { 2428}
((resid 97 and name HE1 ))
((resid 96 and name HG3 ))
4.600 2.700 1.400 peak 2428 weight 0.10000E+01 volume 0.10381E-03 ppm1 9.963 ppm2 1.960 CV 1
ASSI { 2429}
((resid 91 and name HN ))
((resid 99 and name HD2 ))
4.900 2.900 1.100 peak 2429 weight 0.10000E+01 volume 0.76557E-04 ppm1 9.213 ppm2 1.111 CV 1
ASSI { 2462}
((resid 108 and name HN ))
((resid 101 and name HA ))
4.300 2.300 1.700 peak 2462 weight 0.10000E+01 volume 0.16785E-03 ppm1 8.538 ppm2 5.267 CV 1
ASSI { 2463}
((resid 64 and name HN ))
((resid 64 and name HA ))
2.500 0.800 0.800 peak 2463 weight 0.10000E+01 volume 0.42615E-02 ppm1 8.493 ppm2 4.666 CV 1
ASSI { 2464}
((resid 64 and name HN ))
( resid 65 and name HD2%)
3.700 1.700 1.700 peak 2464 weight 0.10000E+01 volume 0.39674E-03 ppm1 8.489 ppm2 0.780 CV 1
OR { 2464}
((resid 64 and name HN ))
( resid 65 and name HD1%)
ASSI { 2466}
((resid 104 and name HN ))
((resid 102 and name HA ))
3.000 1.100 1.100 peak 2466 weight 0.10000E+01 volume 0.14698E-02 ppm1 8.480 ppm2 4.667 CV 1
ASSI { 2467}
((resid 102 and name HN ))
((resid 106 and name HA1 ))
3.800 1.800 1.800 peak 2467 weight 0.10000E+01 volume 0.32292E-03 ppm1 8.768 ppm2 3.824 CV 1
ASSI { 2468}
((resid 102 and name HN ))
((resid 107 and name HG3 ))
4.500 2.600 1.500 peak 2468 weight 0.10000E+01 volume 0.11307E-03 ppm1 8.768 ppm2 2.396 CV 1
OR { 2468}
((resid 102 and name HN ))
((resid 107 and name HG2 ))
ASSI { 2469}
((resid 102 and name HN ))
((resid 108 and name HG3 ))
4.500 2.500 1.500 peak 2469 weight 0.10000E+01 volume 0.12689E-03 ppm1 8.765 ppm2 2.236 CV 1
ASSI { 2470}
((resid 97 and name HN ))
((resid 95 and name HA2 ))
2.800 1.000 1.000 peak 2470 weight 0.10000E+01 volume 0.21017E-02 ppm1 7.745 ppm2 4.078 CV 1
ASSI { 2472}
((resid 93 and name HN ))
((resid 94 and name HA ))
3.900 1.900 1.900 peak 2472 weight 0.10000E+01 volume 0.27753E-03 ppm1 8.598 ppm2 4.589 CV 1
ASSI { 2473}
((resid 93 and name HN ))
((resid 94 and name HB2 ))
4.700 2.700 1.300 peak 2473 weight 0.10000E+01 volume 0.97489E-04 ppm1 8.593 ppm2 3.854 CV 1
ASSI { 2481}
((resid 84 and name HN ))
((resid 84 and name HG3 ))
3.900 1.900 1.900 peak 2481 weight 0.10000E+01 volume 0.29096E-03 ppm1 8.346 ppm2 1.180 CV 1
ASSI { 2483}
((resid 79 and name HN ))
((resid 77 and name HA ))
2.800 1.000 1.000 peak 2483 weight 0.10000E+01 volume 0.20261E-02 ppm1 7.862 ppm2 4.395 CV 1
ASSI { 2488}
((resid 64 and name HD22))
((resid 64 and name HB2 ))
2.700 0.900 0.900 peak 2488 weight 0.10000E+01 volume 0.23704E-02 ppm1 7.327 ppm2 2.946 CV 1
ASSI { 2489}
((resid 64 and name HD22))
((resid 90 and name HB ))
4.200 2.200 1.800 peak 2489 weight 0.10000E+01 volume 0.19472E-03 ppm1 7.323 ppm2 1.961 CV 1
ASSI { 2519}
((resid 89 and name HE ))
((resid 89 and name HD2 ))
2.500 0.800 0.800 peak 2519 weight 0.10000E+01 volume 0.42687E-02 ppm1 7.560 ppm2 3.138 CV 1
OR { 2519}
((resid 89 and name HE ))
((resid 89 and name HD3 ))
ASSI { 2526}
((resid 70 and name HD1 ))
((resid 70 and name HB3 ))
3.100 1.200 1.200 peak 2526 weight 0.10000E+01 volume 0.11673E-02 ppm1 7.672 ppm2 3.059 CV 1
ASSI { 2529}
((resid 70 and name HD1 ))
((resid 115 and name HA ))
3.500 1.500 1.500 peak 2529 weight 0.10000E+01 volume 0.56459E-03 ppm1 7.669 ppm2 4.465 CV 1
ASSI { 2535}
((resid 84 and name HN ))
( resid 82 and name HD% )
4.300 2.300 1.700 peak 2535 weight 0.10000E+01 volume 0.16928E-03 ppm1 8.336 ppm2 6.967 CV 1
ASSI { 2548}
((resid 94 and name HN ))
((resid 94 and name HB2 ))
2.500 0.800 0.800 peak 2548 weight 0.10000E+01 volume 0.43071E-02 ppm1 8.133 ppm2 3.841 CV 1
ASSI { 4}
( resid 90 and name HD1%)
((resid 98 and name HE3 ))
2.700 0.900 0.900 peak 4 weight 0.10000E+01 volume 0.27261E-02 ppm1 0.746 ppm2 7.213 CV 1
ASSI { 6}
( resid 90 and name HD1%)
((resid 89 and name HN ))
4.000 2.000 2.000 peak 6 weight 0.10000E+01 volume 0.23303E-03 ppm1 0.745 ppm2 8.742 CV 1
ASSI { 8}
( resid 90 and name HD1%)
((resid 98 and name HZ3 ))
3.300 1.300 1.300 peak 8 weight 0.10000E+01 volume 0.81938E-03 ppm1 0.742 ppm2 6.883 CV 1
ASSI { 9}
( resid 90 and name HD1%)
((resid 100 and name HA ))
3.000 1.100 1.100 peak 9 weight 0.10000E+01 volume 0.14579E-02 ppm1 0.745 ppm2 5.450 CV 1
ASSI { 13}
( resid 90 and name HD1%)
((resid 90 and name HB ))
2.700 0.900 0.900 peak 13 weight 0.10000E+01 volume 0.23380E-02 ppm1 0.744 ppm2 1.976 CV 1
ASSI { 14}
( resid 90 and name HD1%)
((resid 90 and name HG12))
2.200 0.600 0.600 peak 14 weight 0.10000E+01 volume 0.94355E-02 ppm1 0.745 ppm2 1.568 CV 1
ASSI { 17}
( resid 90 and name HD1%)
( resid 88 and name HD1%)
3.400 1.400 1.400 peak 17 weight 0.10000E+01 volume 0.70217E-03 ppm1 0.745 ppm2 0.034 CV 1
ASSI { 21}
( resid 90 and name HD1%)
( resid 90 and name HG2%)
2.200 0.600 0.600 peak 21 weight 0.10000E+01 volume 0.10020E-01 ppm1 0.746 ppm2 0.563 CV 1
ASSI { 35}
( resid 67 and name HD1%)
((resid 67 and name HN ))
3.900 1.900 1.900 peak 35 weight 0.10000E+01 volume 0.28267E-03 ppm1 0.805 ppm2 8.952 CV 1
ASSI { 36}
( resid 67 and name HD1%)
((resid 68 and name HN ))
3.500 1.500 1.500 peak 36 weight 0.10000E+01 volume 0.57893E-03 ppm1 0.805 ppm2 8.547 CV 1
ASSI { 38}
( resid 67 and name HD1%)
((resid 87 and name HE21))
3.600 1.600 1.600 peak 38 weight 0.10000E+01 volume 0.46497E-03 ppm1 0.803 ppm2 7.112 CV 1
ASSI { 39}
( resid 67 and name HD1%)
((resid 87 and name HE22))
4.400 2.400 1.600 peak 39 weight 0.10000E+01 volume 0.14210E-03 ppm1 0.803 ppm2 6.710 CV 1
ASSI { 40}
( resid 67 and name HD1%)
((resid 87 and name HA ))
3.200 1.300 1.300 peak 40 weight 0.10000E+01 volume 0.87272E-03 ppm1 0.801 ppm2 5.234 CV 1
ASSI { 41}
( resid 67 and name HD1%)
((resid 85 and name HA2 ))
3.400 1.500 1.500 peak 41 weight 0.10000E+01 volume 0.63460E-03 ppm1 0.800 ppm2 4.367 CV 1
ASSI { 42}
( resid 67 and name HD1%)
((resid 119 and name HA ))
3.200 1.300 1.300 peak 42 weight 0.10000E+01 volume 0.90984E-03 ppm1 0.801 ppm2 4.265 CV 1
ASSI { 43}
( resid 67 and name HD1%)
((resid 86 and name HA ))
3.100 1.200 1.200 peak 43 weight 0.10000E+01 volume 0.12226E-02 ppm1 0.801 ppm2 4.139 CV 1
ASSI { 44}
( resid 67 and name HD1%)
((resid 85 and name HA1 ))
3.400 1.400 1.400 peak 44 weight 0.10000E+01 volume 0.67836E-03 ppm1 0.803 ppm2 3.482 CV 1
ASSI { 45}
( resid 67 and name HD1%)
((resid 87 and name HG3 ))
3.500 1.500 1.500 peak 45 weight 0.10000E+01 volume 0.56671E-03 ppm1 0.799 ppm2 2.454 CV 1
ASSI { 47}
( resid 67 and name HD1%)
((resid 87 and name HB2 ))
3.300 1.400 1.400 peak 47 weight 0.10000E+01 volume 0.70619E-03 ppm1 0.800 ppm2 1.994 CV 1
ASSI { 48}
( resid 67 and name HD1%)
((resid 118 and name HB3 ))
6.000 6.00 1.100 peak 48 weight 0.10000E+01 volume 0.14204E-02 ppm1 0.800 ppm2 1.828 CV 1
ASSI { 49}
( resid 67 and name HD1%)
((resid 67 and name HB ))
3.300 1.300 1.300 peak 49 weight 0.10000E+01 volume 0.82510E-03 ppm1 0.799 ppm2 1.543 CV 1
ASSI { 54}
( resid 67 and name HD1%)
( resid 119 and name HB% )
3.400 1.300 1.300 peak 54 weight 0.10000E+01 volume 0.95144E-03 ppm1 0.802 ppm2 1.243 CV 1
ASSI { 60}
( resid 111 and name HD1%)
((resid 111 and name HN ))
3.600 1.600 1.600 peak 60 weight 0.10000E+01 volume 0.44750E-03 ppm1 0.463 ppm2 9.566 CV 1
ASSI { 61}
( resid 111 and name HD1%)
((resid 98 and name HN ))
3.600 1.600 1.600 peak 61 weight 0.10000E+01 volume 0.44704E-03 ppm1 0.463 ppm2 8.995 CV 1
ASSI { 62}
( resid 111 and name HD1%)
((resid 109 and name HN ))
6.000 2.500 1.600 peak 62 weight 0.10000E+01 volume 0.12881E-03 ppm1 0.464 ppm2 8.738 CV 1
ASSI { 63}
( resid 111 and name HD1%)
((resid 100 and name HN ))
4.700 2.800 1.300 peak 63 weight 0.10000E+01 volume 0.91850E-04 ppm1 0.463 ppm2 9.422 CV 1
ASSI { 65}
( resid 111 and name HD1%)
((resid 115 and name HN ))
4.500 2.500 1.500 peak 65 weight 0.10000E+01 volume 0.12092E-03 ppm1 0.464 ppm2 7.652 CV 1
ASSI { 66}
( resid 111 and name HD1%)
( resid 82 and name HE% )
3.000 1.100 1.100 peak 66 weight 0.10000E+01 volume 0.13247E-02 ppm1 0.463 ppm2 7.477 CV 1
ASSI { 67}
( resid 111 and name HD1%)
((resid 98 and name HE3 ))
2.800 1.000 1.000 peak 67 weight 0.10000E+01 volume 0.20875E-02 ppm1 0.462 ppm2 7.220 CV 1
ASSI { 68}
( resid 111 and name HD1%)
((resid 82 and name HZ ))
3.300 1.400 1.400 peak 68 weight 0.10000E+01 volume 0.72413E-03 ppm1 0.462 ppm2 6.796 CV 1
ASSI { 69}
( resid 111 and name HD1%)
((resid 98 and name HD1 ))
4.200 2.200 1.800 peak 69 weight 0.10000E+01 volume 0.19066E-03 ppm1 0.461 ppm2 6.868 CV 1
ASSI { 70}
( resid 111 and name HD1%)
( resid 82 and name HD% )
3.600 1.600 1.600 peak 70 weight 0.10000E+01 volume 0.43544E-03 ppm1 0.462 ppm2 6.988 CV 1
ASSI { 72}
( resid 111 and name HD1%)
((resid 110 and name HA ))
5.500 3.800 0.500 peak 72 weight 0.10000E+01 volume 0.35874E-04 ppm1 0.463 ppm2 5.653 CV 1
ASSI { 73}
( resid 111 and name HD1%)
((resid 100 and name HA ))
3.800 1.800 1.800 peak 73 weight 0.10000E+01 volume 0.31050E-03 ppm1 0.463 ppm2 5.448 CV 1
ASSI { 74}
( resid 111 and name HD1%)
((resid 111 and name HA ))
3.300 1.300 1.300 peak 74 weight 0.10000E+01 volume 0.81041E-03 ppm1 0.463 ppm2 5.189 CV 1
ASSI { 75}
( resid 111 and name HD1%)
((resid 90 and name HA ))
5.200 3.400 0.800 peak 75 weight 0.10000E+01 volume 0.50719E-04 ppm1 0.463 ppm2 4.257 CV 1
ASSI { 76}
( resid 111 and name HD1%)
((resid 115 and name HB3 ))
4.000 2.000 2.000 peak 76 weight 0.10000E+01 volume 0.25839E-03 ppm1 0.463 ppm2 3.626 CV 1
ASSI { 78}
( resid 111 and name HD1%)
((resid 115 and name HB2 ))
4.500 2.500 1.500 peak 78 weight 0.10000E+01 volume 0.11752E-03 ppm1 0.458 ppm2 3.242 CV 1
ASSI { 79}
( resid 111 and name HD1%)
((resid 98 and name HB2 ))
2.800 1.000 1.000 peak 79 weight 0.10000E+01 volume 0.18988E-02 ppm1 0.460 ppm2 2.958 CV 1
ASSI { 80}
( resid 111 and name HD1%)
((resid 113 and name HA ))
2.800 1.000 1.000 peak 80 weight 0.10000E+01 volume 0.19174E-02 ppm1 0.460 ppm2 2.810 CV 1
ASSI { 81}
( resid 111 and name HD1%)
((resid 66 and name HB ))
4.300 2.400 1.700 peak 81 weight 0.10000E+01 volume 0.14736E-03 ppm1 0.461 ppm2 2.019 CV 1
ASSI { 82}
( resid 111 and name HD1%)
((resid 111 and name HB ))
2.200 0.600 0.600 peak 82 weight 0.10000E+01 volume 0.78428E-02 ppm1 0.463 ppm2 1.664 CV 1
ASSI { 83}
( resid 111 and name HD1%)
((resid 111 and name HG13))
2.200 0.600 0.600 peak 83 weight 0.10000E+01 volume 0.84923E-02 ppm1 0.462 ppm2 1.400 CV 1
ASSI { 85}
( resid 111 and name HD1%)
( resid 111 and name HG2%)
2.100 0.600 0.600 peak 85 weight 0.10000E+01 volume 0.11681E-01 ppm1 0.459 ppm2 1.123 CV 1
ASSI { 87}
( resid 111 and name HD1%)
( resid 90 and name HD1%)
1.900 0.400 0.400 peak 87 weight 0.10000E+01 volume 0.23411E-01 ppm1 0.460 ppm2 0.736 CV 1
ASSI { 90}
( resid 111 and name HD1%)
( resid 88 and name HD1%)
2.300 0.700 0.700 peak 90 weight 0.10000E+01 volume 0.63135E-02 ppm1 0.462 ppm2 0.037 CV 1
ASSI { 91}
( resid 90 and name HG2%)
((resid 91 and name HN ))
2.600 0.800 0.800 peak 91 weight 0.10000E+01 volume 0.34544E-02 ppm1 0.554 ppm2 9.222 CV 1
ASSI { 93}
( resid 90 and name HG2%)
((resid 99 and name HN ))
3.300 1.400 1.400 peak 93 weight 0.10000E+01 volume 0.77393E-03 ppm1 0.554 ppm2 8.705 CV 1
ASSI { 94}
( resid 90 and name HG2%)
((resid 93 and name HN ))
3.900 1.900 1.900 peak 94 weight 0.10000E+01 volume 0.30338E-03 ppm1 0.555 ppm2 8.588 CV 1
ASSI { 96}
( resid 90 and name HG2%)
((resid 64 and name HD21))
3.200 1.300 1.300 peak 96 weight 0.10000E+01 volume 0.97015E-03 ppm1 0.553 ppm2 7.319 CV 1
ASSI { 97}
( resid 90 and name HG2%)
((resid 98 and name HE3 ))
2.700 0.900 0.900 peak 97 weight 0.10000E+01 volume 0.28158E-02 ppm1 0.552 ppm2 7.216 CV 1
ASSI { 98}
( resid 90 and name HG2%)
((resid 98 and name HZ3 ))
3.600 1.600 1.600 peak 98 weight 0.10000E+01 volume 0.48229E-03 ppm1 0.552 ppm2 6.873 CV 1
ASSI { 99}
( resid 90 and name HG2%)
((resid 64 and name HD22))
3.600 1.600 1.600 peak 99 weight 0.10000E+01 volume 0.45570E-03 ppm1 0.552 ppm2 6.615 CV 1
ASSI { 101}
( resid 90 and name HG2%)
((resid 93 and name HE22))
4.100 2.100 1.900 peak 101 weight 0.10000E+01 volume 0.21540E-03 ppm1 0.551 ppm2 5.907 CV 1
ASSI { 102}
( resid 90 and name HG2%)
((resid 100 and name HA ))
4.3000 1.200 1.200 peak 102 weight 0.10000E+01 volume 0.12449E-02 ppm1 0.553 ppm2 5.449 CV 1
ASSI { 105}
( resid 90 and name HG2%)
((resid 98 and name HB3 ))
2.500 0.800 0.800 peak 105 weight 0.10000E+01 volume 0.38333E-02 ppm1 0.553 ppm2 3.322 CV 1
ASSI { 106}
( resid 90 and name HG2%)
((resid 98 and name HB2 ))
2.700 0.900 0.900 peak 106 weight 0.10000E+01 volume 0.24246E-02 ppm1 0.553 ppm2 2.964 CV 1
ASSI { 107}
( resid 90 and name HG2%)
((resid 64 and name HB3 ))
3.700 1.700 1.700 peak 107 weight 0.10000E+01 volume 0.38689E-03 ppm1 0.553 ppm2 2.870 CV 1
ASSI { 110}
( resid 90 and name HG2%)
((resid 90 and name HG13))
2.300 0.600 0.600 peak 110 weight 0.10000E+01 volume 0.71006E-02 ppm1 0.553 ppm2 1.258 CV 1
ASSI { 111}
( resid 90 and name HG2%)
((resid 93 and name HB3 ))
2.800 1.000 1.000 peak 111 weight 0.10000E+01 volume 0.22205E-02 ppm1 0.552 ppm2 1.144 CV 1
ASSI { 112}
( resid 90 and name HG2%)
((resid 93 and name HG3 ))
2.800 1.000 1.000 peak 112 weight 0.10000E+01 volume 0.21849E-02 ppm1 0.550 ppm2 0.960 CV 1
ASSI { 115}
( resid 90 and name HG2%)
((resid 93 and name HG2 ))
2.600 0.800 0.800 peak 115 weight 0.10000E+01 volume 0.35843E-02 ppm1 0.550 ppm2 0.810 CV 1
ASSI { 116}
( resid 116 and name HG2%)
((resid 69 and name HN ))
4.500 2.500 1.500 peak 116 weight 0.10000E+01 volume 0.12294E-03 ppm1 0.687 ppm2 9.477 CV 1
ASSI { 120}
( resid 116 and name HG2%)
((resid 98 and name HE3 ))
2.600 0.900 0.900 peak 120 weight 0.10000E+01 volume 0.30555E-02 ppm1 0.687 ppm2 7.217 CV 1
ASSI { 122}
( resid 116 and name HG2%)
((resid 98 and name HZ3 ))
2.500 0.800 0.800 peak 122 weight 0.10000E+01 volume 0.46064E-02 ppm1 0.686 ppm2 6.875 CV 1
ASSI { 123}
( resid 116 and name HG2%)
((resid 116 and name HA ))
3.000 1.100 1.100 peak 123 weight 0.10000E+01 volume 0.13317E-02 ppm1 0.689 ppm2 5.245 CV 1
ASSI { 124}
( resid 116 and name HG2%)
((resid 68 and name HA ))
4.800 2.800 1.200 peak 124 weight 0.10000E+01 volume 0.86438E-04 ppm1 0.686 ppm2 4.544 CV 1
ASSI { 125}
( resid 116 and name HG2%)
((resid 118 and name HA ))
3.800 1.800 1.800 peak 125 weight 0.10000E+01 volume 0.33014E-03 ppm1 0.686 ppm2 4.265 CV 1
ASSI { 128}
( resid 116 and name HG2%)
((resid 115 and name HB2 ))
4.500 2.500 1.500 peak 128 weight 0.10000E+01 volume 0.12324E-03 ppm1 0.685 ppm2 3.238 CV 1
ASSI { 130}
( resid 116 and name HG2%)
((resid 66 and name HB ))
3.100 1.200 1.200 peak 130 weight 0.10000E+01 volume 0.12300E-02 ppm1 0.686 ppm2 2.002 CV 1
ASSI { 137}
( resid 116 and name HG2%)
( resid 88 and name HD1%)
3.400 1.400 1.400 peak 137 weight 0.10000E+01 volume 0.64403E-03 ppm1 0.686 ppm2 0.039 CV 1
ASSI { 138}
( resid 116 and name HG2%)
((resid 98 and name HB2 ))
4.600 2.700 1.400 peak 138 weight 0.10000E+01 volume 0.99118E-04 ppm1 0.687 ppm2 2.945 CV 1
ASSI { 142}
( resid 116 and name HG2%)
( resid 111 and name HD1%)
2.300 0.700 0.700 peak 142 weight 0.10000E+01 volume 0.70666E-02 ppm1 0.686 ppm2 0.460 CV 1
ASSI { 148}
( resid 67 and name HG2%)
((resid 87 and name HA ))
3.200 1.300 1.300 peak 148 weight 0.10000E+01 volume 0.89515E-03 ppm1 0.772 ppm2 5.232 CV 1
ASSI { 152}
( resid 67 and name HG2%)
((resid 86 and name HA ))
4.500 2.600 1.500 peak 152 weight 0.10000E+01 volume 0.11505E-03 ppm1 0.773 ppm2 4.168 CV 1
ASSI { 153}
( resid 67 and name HG2%)
((resid 69 and name HA ))
4.000 2.000 2.000 peak 153 weight 0.10000E+01 volume 0.24261E-03 ppm1 0.773 ppm2 4.059 CV 1
ASSI { 159}
( resid 67 and name HG2%)
( resid 68 and name HB% )
3.500 1.500 1.500 peak 159 weight 0.10000E+01 volume 0.53069E-03 ppm1 0.772 ppm2 1.663 CV 1
ASSI { 160}
( resid 67 and name HG2%)
((resid 67 and name HB ))
2.500 0.800 0.800 peak 160 weight 0.10000E+01 volume 0.37838E-02 ppm1 0.771 ppm2 1.553 CV 1
ASSI { 161}
( resid 67 and name HG2%)
((resid 67 and name HG13))
3.000 1.200 1.200 peak 161 weight 0.10000E+01 volume 0.12400E-02 ppm1 0.775 ppm2 1.347 CV 1
ASSI { 163}
( resid 67 and name HG2%)
((resid 67 and name HG12))
2.400 0.700 0.700 peak 163 weight 0.10000E+01 volume 0.46899E-02 ppm1 0.771 ppm2 1.032 CV 1
ASSI { 185}
( resid 68 and name HB% )
((resid 69 and name HN ))
2.700 0.900 0.900 peak 185 weight 0.10000E+01 volume 0.24447E-02 ppm1 1.677 ppm2 9.451 CV 1
ASSI { 190}
( resid 68 and name HB% )
( resid 82 and name HD% )
2.100 0.600 0.600 peak 190 weight 0.10000E+01 volume 0.10322E-01 ppm1 1.675 ppm2 6.975 CV 1
ASSI { 192}
( resid 68 and name HB% )
((resid 84 and name HA ))
2.400 0.700 0.700 peak 192 weight 0.10000E+01 volume 0.54074E-02 ppm1 1.675 ppm2 3.357 CV 1
ASSI { 194}
( resid 68 and name HB% )
((resid 86 and name HB2 ))
3.100 1.200 1.200 peak 194 weight 0.10000E+01 volume 0.12295E-02 ppm1 1.674 ppm2 2.380 CV 1
ASSI { 195}
( resid 68 and name HB% )
((resid 86 and name HB3 ))
2.700 0.900 0.900 peak 195 weight 0.10000E+01 volume 0.23504E-02 ppm1 1.674 ppm2 2.110 CV 1
ASSI { 198}
( resid 68 and name HB% )
( resid 111 and name HG2%)
6.000 1.000 1.000 peak 198 weight 0.10000E+01 volume 0.20009E-02 ppm1 1.675 ppm2 1.113 CV 1
ASSI { 200}
( resid 68 and name HB% )
( resid 88 and name HD2%)
3.200 1.300 1.300 peak 200 weight 0.10000E+01 volume 0.92406E-03 ppm1 1.673 ppm2 0.641 CV 1
ASSI { 202}
( resid 68 and name HB% )
( resid 88 and name HD1%)
2.600 0.900 0.900 peak 202 weight 0.10000E+01 volume 0.29968E-02 ppm1 1.673 ppm2 0.034 CV 1
ASSI { 204}
( resid 68 and name HB% )
( resid 115 and name HE% )
3.200 1.300 1.300 peak 204 weight 0.10000E+01 volume 0.92731E-03 ppm1 1.675 ppm2 7.070 CV 1
ASSI { 210}
( resid 119 and name HB% )
((resid 65 and name HG ))
4.200 1.200 0.800 peak 210 weight 0.10000E+01 volume 0.41688E-02 ppm1 1.257 ppm2 1.531 CV 1
ASSI { 212}
( resid 119 and name HB% )
((resid 67 and name HG12))
2.600 1.200 1.200 peak 212 weight 0.10000E+01 volume 0.32379E-02 ppm1 1.255 ppm2 1.049 CV 1
ASSI { 213}
( resid 119 and name HB% )
( resid 65 and name HD2%)
3.800 0.800 0.800 peak 213 weight 0.10000E+01 volume 0.32054E-02 ppm1 1.255 ppm2 0.776 CV 1
ASSI { 214}
( resid 119 and name HB% )
((resid 87 and name HE21))
3.700 2.900 1.100 peak 214 weight 0.10000E+01 volume 0.76077E-04 ppm1 1.259 ppm2 7.112 CV 1
ASSI { 215}
( resid 119 and name HB% )
((resid 87 and name HE22))
5.100 3.200 0.900 peak 215 weight 0.10000E+01 volume 0.56904E-04 ppm1 1.258 ppm2 6.713 CV 1
ASSI { 216}
( resid 119 and name HB% )
((resid 65 and name HA ))
4.500 2.600 1.500 peak 216 weight 0.10000E+01 volume 0.11303E-03 ppm1 1.257 ppm2 5.204 CV 1
ASSI { 217}
( resid 119 and name HB% )
((resid 66 and name HA ))
3.200 1.700 1.700 peak 217 weight 0.10000E+01 volume 0.37219E-03 ppm1 1.255 ppm2 4.946 CV 1
ASSI { 218}
( resid 119 and name HB% )
((resid 120 and name HB2 ))
6.100 3.300 0.900 peak 218 weight 0.10000E+01 volume 0.54121E-04 ppm1 1.257 ppm2 2.693 CV 1
OR { 218}
( resid 119 and name HB% )
((resid 120 and name HB3 ))
ASSI { 220}
( resid 119 and name HB% )
((resid 120 and name HA ))
4.800 2.100 1.900 peak 220 weight 0.10000E+01 volume 0.19962E-03 ppm1 1.257 ppm2 4.415 CV 1
ASSI { 221}
( resid 119 and name HB% )
((resid 87 and name HG3 ))
6.000 4.900 1.000 peak 221 weight 0.10000E+01 volume 0.16700E-04 ppm1 1.257 ppm2 2.478 CV 1
ASSI { 222}
( resid 119 and name HB% )
((resid 66 and name HB ))
5.500 1.500 1.500 peak 222 weight 0.10000E+01 volume 0.54646E-03 ppm1 1.258 ppm2 2.007 CV 1
ASSI { 231}
( resid 66 and name HG2%)
((resid 117 and name HN ))
4.800 1.400 1.400 peak 231 weight 0.10000E+01 volume 0.74794E-03 ppm1 0.594 ppm2 8.556 CV 1
ASSI { 232}
( resid 66 and name HG2%)
((resid 98 and name HE3 ))
3.600 1.600 1.600 peak 232 weight 0.10000E+01 volume 0.44812E-03 ppm1 0.591 ppm2 7.220 CV 1
ASSI { 235}
( resid 66 and name HG2%)
((resid 118 and name HA ))
3.500 1.500 1.500 peak 235 weight 0.10000E+01 volume 0.53238E-03 ppm1 0.595 ppm2 4.257 CV 1
ASSI { 236}
( resid 66 and name HG2%)
((resid 66 and name HB ))
2.400 0.700 0.700 peak 236 weight 0.10000E+01 volume 0.50517E-02 ppm1 0.593 ppm2 2.004 CV 1
ASSI { 238}
( resid 66 and name HG2%)
((resid 90 and name HG12))
2.700 0.900 0.900 peak 238 weight 0.10000E+01 volume 0.28204E-02 ppm1 0.595 ppm2 1.565 CV 1
ASSI { 240}
( resid 66 and name HG2%)
((resid 88 and name HB2 ))
2.300 0.700 0.700 peak 240 weight 0.10000E+01 volume 0.70604E-02 ppm1 0.593 ppm2 1.141 CV 1
ASSI { 242}
( resid 66 and name HG2%)
( resid 66 and name HG1%)
2.000 0.500 0.500 peak 242 weight 0.10000E+01 volume 0.14680E-01 ppm1 0.593 ppm2 0.770 CV 1
ASSI { 244}
( resid 66 and name HG2%)
( resid 116 and name HG1%)
2.300 0.700 0.700 peak 244 weight 0.10000E+01 volume 0.64945E-02 ppm1 0.593 ppm2 0.381 CV 1
ASSI { 245}
( resid 66 and name HG2%)
( resid 88 and name HD1%)
2.500 0.800 0.800 peak 245 weight 0.10000E+01 volume 0.40606E-02 ppm1 0.593 ppm2 0.039 CV 1
ASSI { 246}
( resid 66 and name HG2%)
((resid 98 and name HZ3 ))
4.600 2.600 1.400 peak 246 weight 0.10000E+01 volume 0.10701E-03 ppm1 0.591 ppm2 6.878 CV 1
ASSI { 247}
( resid 66 and name HG2%)
((resid 119 and name HN ))
4.900 3.000 1.100 peak 247 weight 0.10000E+01 volume 0.75613E-04 ppm1 0.596 ppm2 8.346 CV 1
ASSI { 288}
( resid 66 and name HG1%)
((resid 67 and name HN ))
2.800 1.000 1.000 peak 288 weight 0.10000E+01 volume 0.18663E-02 ppm1 0.788 ppm2 8.960 CV 1
ASSI { 290}
( resid 66 and name HG1%)
((resid 119 and name HN ))
3.200 1.300 1.300 peak 290 weight 0.10000E+01 volume 0.89793E-03 ppm1 0.789 ppm2 8.360 CV 1
ASSI { 291}
( resid 66 and name HG1%)
((resid 65 and name HN ))
4.500 2.500 1.500 peak 291 weight 0.10000E+01 volume 0.12773E-03 ppm1 0.789 ppm2 7.887 CV 1
ASSI { 292}
( resid 66 and name HG1%)
((resid 98 and name HE3 ))
3.300 1.400 1.400 peak 292 weight 0.10000E+01 volume 0.71578E-03 ppm1 0.789 ppm2 7.213 CV 1
ASSI { 293}
( resid 66 and name HG1%)
((resid 98 and name HZ3 ))
2.900 1.100 1.100 peak 293 weight 0.10000E+01 volume 0.16050E-02 ppm1 0.787 ppm2 6.875 CV 1
ASSI { 294}
( resid 66 and name HG1%)
((resid 65 and name HA ))
3.300 1.400 1.400 peak 294 weight 0.10000E+01 volume 0.71330E-03 ppm1 0.789 ppm2 5.194 CV 1
ASSI { 297}
( resid 66 and name HG1%)
((resid 66 and name HB ))
2.300 0.700 0.700 peak 297 weight 0.10000E+01 volume 0.66521E-02 ppm1 0.785 ppm2 2.004 CV 1
ASSI { 298}
( resid 66 and name HG1%)
((resid 116 and name HB ))
2.600 0.800 0.800 peak 298 weight 0.10000E+01 volume 0.34359E-02 ppm1 0.785 ppm2 1.760 CV 1
ASSI { 299}
( resid 66 and name HG1%)
((resid 90 and name HG12))
2.500 0.800 0.800 peak 299 weight 0.10000E+01 volume 0.45368E-02 ppm1 0.786 ppm2 1.567 CV 1
ASSI { 300}
( resid 66 and name HG1%)
((resid 90 and name HG13))
2.600 0.800 0.800 peak 300 weight 0.10000E+01 volume 0.36091E-02 ppm1 0.789 ppm2 1.254 CV 1
ASSI { 302}
( resid 66 and name HG1%)
( resid 116 and name HG1%)
3.000 1.100 1.100 peak 302 weight 0.10000E+01 volume 0.13733E-02 ppm1 0.783 ppm2 0.383 CV 1
ASSI { 304}
( resid 66 and name HG1%)
( resid 88 and name HD1%)
5.100 3.300 0.900 peak 304 weight 0.10000E+01 volume 0.54429E-04 ppm1 0.785 ppm2 0.053 CV 1
ASSI { 305}
( resid 66 and name HG1%)
((resid 118 and name HE2 ))
3.800 1.800 1.800 peak 305 weight 0.10000E+01 volume 0.33045E-03 ppm1 0.789 ppm2 3.026 CV 1
OR { 305}
( resid 66 and name HG1%)
((resid 118 and name HE3 ))
ASSI { 314}
( resid 105 and name HG2%)
((resid 104 and name HN ))
3.600 1.600 1.600 peak 314 weight 0.10000E+01 volume 0.48198E-03 ppm1 1.265 ppm2 8.477 CV 1
ASSI { 316}
( resid 105 and name HG2%)
((resid 107 and name HN ))
3.800 1.800 1.800 peak 316 weight 0.10000E+01 volume 0.34761E-03 ppm1 1.262 ppm2 7.921 CV 1
ASSI { 318}
( resid 105 and name HG2%)
((resid 105 and name HG1 ))
2.600 0.800 0.800 peak 318 weight 0.10000E+01 volume 0.33261E-02 ppm1 1.266 ppm2 5.964 CV 1
ASSI { 319}
( resid 105 and name HG2%)
((resid 105 and name HB ))
2.200 0.600 0.600 peak 319 weight 0.10000E+01 volume 0.83098E-02 ppm1 1.264 ppm2 4.490 CV 1
ASSI { 320}
( resid 105 and name HG2%)
((resid 106 and name HA1 ))
3.500 1.500 1.500 peak 320 weight 0.10000E+01 volume 0.53038E-03 ppm1 1.266 ppm2 4.271 CV 1
ASSI { 321}
( resid 105 and name HG2%)
((resid 102 and name HB2 ))
3.800 1.800 1.800 peak 321 weight 0.10000E+01 volume 0.31962E-03 ppm1 1.267 ppm2 4.195 CV 1
ASSI { 322}
( resid 105 and name HG2%)
((resid 104 and name HB ))
2.700 0.900 0.900 peak 322 weight 0.10000E+01 volume 0.26102E-02 ppm1 1.265 ppm2 4.086 CV 1
ASSI { 323}
( resid 105 and name HG2%)
((resid 107 and name HG2 ))
3.700 1.700 1.700 peak 323 weight 0.10000E+01 volume 0.40869E-03 ppm1 1.264 ppm2 2.420 CV 1
ASSI { 329}
( resid 111 and name HG2%)
((resid 111 and name HN ))
2.900 1.000 1.000 peak 329 weight 0.10000E+01 volume 0.17179E-02 ppm1 1.125 ppm2 9.566 CV 1
ASSI { 330}
( resid 111 and name HG2%)
((resid 100 and name HN ))
3.500 1.500 1.500 peak 330 weight 0.10000E+01 volume 0.53780E-03 ppm1 1.126 ppm2 9.415 CV 1
ASSI { 332}
( resid 111 and name HG2%)
((resid 109 and name HN ))
3.700 1.700 1.700 peak 332 weight 0.10000E+01 volume 0.36585E-03 ppm1 1.125 ppm2 8.719 CV 1
ASSI { 334}
( resid 111 and name HG2%)
( resid 82 and name HE% )
2.300 0.600 0.600 peak 334 weight 0.10000E+01 volume 0.75180E-02 ppm1 1.125 ppm2 7.485 CV 1
ASSI { 336}
( resid 111 and name HG2%)
( resid 115 and name HE% )
5.400 2.400 1.00 peak 336 weight 0.10000E+01 volume 0.70233E-03 ppm1 1.123 ppm2 7.055 CV 1
ASSI { 337}
( resid 111 and name HG2%)
( resid 82 and name HD% )
2.700 0.900 0.900 peak 337 weight 0.10000E+01 volume 0.26720E-02 ppm1 1.123 ppm2 6.969 CV 1
ASSI { 338}
( resid 111 and name HG2%)
((resid 82 and name HZ ))
3.600 1.700 1.700 peak 338 weight 0.10000E+01 volume 0.43080E-03 ppm1 1.123 ppm2 6.797 CV 1
ASSI { 339}
( resid 111 and name HG2%)
((resid 110 and name HA ))
3.700 1.700 1.700 peak 339 weight 0.10000E+01 volume 0.38935E-03 ppm1 1.123 ppm2 5.649 CV 1
ASSI { 341}
( resid 111 and name HG2%)
((resid 112 and name HD2 ))
3.000 1.100 1.100 peak 341 weight 0.10000E+01 volume 0.14870E-02 ppm1 1.123 ppm2 2.794 CV 1
ASSI { 342}
( resid 111 and name HG2%)
((resid 80 and name HB3 ))
2.200 0.600 0.600 peak 342 weight 0.10000E+01 volume 0.10046E-01 ppm1 1.126 ppm2 1.758 CV 1
ASSI { 343}
( resid 111 and name HG2%)
((resid 111 and name HB ))
2.100 0.600 0.600 peak 343 weight 0.10000E+01 volume 0.10603E-01 ppm1 1.124 ppm2 1.666 CV 1
ASSI { 345}
( resid 111 and name HG2%)
( resid 88 and name HD2%)
2.500 0.800 0.800 peak 345 weight 0.10000E+01 volume 0.41673E-02 ppm1 1.121 ppm2 0.642 CV 1
ASSI { 347}
( resid 111 and name HG2%)
( resid 88 and name HD1%)
2.800 1.000 1.000 peak 347 weight 0.10000E+01 volume 0.19545E-02 ppm1 1.124 ppm2 0.036 CV 1
ASSI { 348}
( resid 111 and name HG2%)
((resid 98 and name HN ))
4.300 2.300 1.700 peak 348 weight 0.10000E+01 volume 0.15371E-03 ppm1 1.127 ppm2 8.996 CV 1
ASSI { 349}
( resid 111 and name HG2%)
( resid 90 and name HD1%)
4.800 1.00 1.00 peak 349 weight 0.10000E+01 volume 0.10471E-01 ppm1 1.123 ppm2 0.750 CV 1
ASSI { 355}
( resid 116 and name HG1%)
((resid 69 and name HN ))
3.000 1.100 1.100 peak 355 weight 0.10000E+01 volume 0.14790E-02 ppm1 0.384 ppm2 9.457 CV 1
ASSI { 356}
( resid 116 and name HG1%)
((resid 67 and name HN ))
4.500 2.600 1.500 peak 356 weight 0.10000E+01 volume 0.11272E-03 ppm1 0.387 ppm2 8.959 CV 1
ASSI { 357}
( resid 116 and name HG1%)
((resid 88 and name HN ))
4.300 2.300 1.700 peak 357 weight 0.10000E+01 volume 0.15664E-03 ppm1 0.387 ppm2 8.762 CV 1
ASSI { 358}
( resid 116 and name HG1%)
((resid 117 and name HN ))
4.000 0.900 0.900 peak 358 weight 0.10000E+01 volume 0.22931E-02 ppm1 0.385 ppm2 8.555 CV 1
ASSI { 359}
( resid 116 and name HG1%)
((resid 115 and name HN ))
3.500 1.500 1.500 peak 359 weight 0.10000E+01 volume 0.55234E-03 ppm1 0.385 ppm2 7.643 CV 1
ASSI { 361}
( resid 116 and name HG1%)
((resid 98 and name HE3 ))
4.600 2.600 1.400 peak 361 weight 0.10000E+01 volume 0.10778E-03 ppm1 0.385 ppm2 7.227 CV 1
ASSI { 362}
( resid 116 and name HG1%)
((resid 116 and name HN ))
2.700 0.900 0.900 peak 362 weight 0.10000E+01 volume 0.25421E-02 ppm1 0.383 ppm2 7.012 CV 1
ASSI { 364}
( resid 116 and name HG1%)
((resid 82 and name HZ ))
3.200 1.300 1.300 peak 364 weight 0.10000E+01 volume 0.95344E-03 ppm1 0.383 ppm2 6.797 CV 1
ASSI { 365}
( resid 116 and name HG1%)
((resid 116 and name HA ))
2.300 0.700 0.700 peak 365 weight 0.10000E+01 volume 0.59347E-02 ppm1 0.382 ppm2 5.248 CV 1
ASSI { 366}
( resid 116 and name HG1%)
((resid 68 and name HA ))
2.700 0.900 0.900 peak 366 weight 0.10000E+01 volume 0.24803E-02 ppm1 0.383 ppm2 4.538 CV 1
ASSI { 368}
( resid 116 and name HG1%)
((resid 115 and name HB2 ))
3.100 1.200 1.200 peak 368 weight 0.10000E+01 volume 0.10558E-02 ppm1 0.383 ppm2 3.238 CV 1
ASSI { 369}
( resid 116 and name HG1%)
((resid 112 and name HD2 ))
4.000 2.000 2.000 peak 369 weight 0.10000E+01 volume 0.23210E-03 ppm1 0.383 ppm2 2.808 CV 1
ASSI { 370}
( resid 116 and name HG1%)
((resid 66 and name HB ))
3.300 1.300 1.300 peak 370 weight 0.10000E+01 volume 0.81041E-03 ppm1 0.381 ppm2 2.004 CV 1
ASSI { 372}
( resid 116 and name HG1%)
( resid 68 and name HB% )
2.500 0.800 0.800 peak 372 weight 0.10000E+01 volume 0.40807E-02 ppm1 0.381 ppm2 1.674 CV 1
ASSI { 373}
( resid 116 and name HG1%)
((resid 69 and name HG ))
3.500 1.500 1.500 peak 373 weight 0.10000E+01 volume 0.53223E-03 ppm1 0.381 ppm2 1.359 CV 1
ASSI { 374}
( resid 116 and name HG1%)
( resid 111 and name HG2%)
4.800 1.000 1.000 peak 374 weight 0.10000E+01 volume 0.21973E-02 ppm1 0.381 ppm2 1.115 CV 1
ASSI { 376}
( resid 116 and name HG1%)
( resid 116 and name HG2%)
1.900 0.400 0.400 peak 376 weight 0.10000E+01 volume 0.24709E-01 ppm1 0.383 ppm2 0.670 CV 1
ASSI { 378}
( resid 116 and name HG1%)
( resid 88 and name HD1%)
2.300 0.600 0.600 peak 378 weight 0.10000E+01 volume 0.76279E-02 ppm1 0.381 ppm2 0.039 CV 1
ASSI { 381}
( resid 69 and name HD2%)
((resid 117 and name HN ))
4.700 1.600 1.600 peak 381 weight 0.10000E+01 volume 0.49280E-03 ppm1 0.684 ppm2 8.561 CV 1
ASSI { 383}
( resid 91 and name HD2%)
((resid 91 and name HN ))
3.400 1.500 1.500 peak 383 weight 0.10000E+01 volume 0.59316E-03 ppm1 0.672 ppm2 9.221 CV 1
ASSI { 385}
( resid 91 and name HD2%)
((resid 92 and name HN ))
3.500 1.600 1.600 peak 385 weight 0.10000E+01 volume 0.50131E-03 ppm1 0.673 ppm2 7.673 CV 1
ASSI { 386}
( resid 91 and name HD2%)
((resid 101 and name HE22))
3.800 1.800 1.800 peak 386 weight 0.10000E+01 volume 0.34931E-03 ppm1 0.670 ppm2 6.739 CV 1
ASSI { 388}
( resid 69 and name HD2%)
((resid 116 and name HA ))
3.600 1.700 1.700 peak 388 weight 0.10000E+01 volume 0.42554E-03 ppm1 0.682 ppm2 5.233 CV 1
ASSI { 390}
( resid 91 and name HD2%)
((resid 91 and name HA ))
2.500 0.800 0.800 peak 390 weight 0.10000E+01 volume 0.45770E-02 ppm1 0.672 ppm2 4.343 CV 1
ASSI { 391}
( resid 91 and name HD2%)
((resid 89 and name HD3 ))
2.600 0.800 0.800 peak 391 weight 0.10000E+01 volume 0.32225E-02 ppm1 0.672 ppm2 3.138 CV 1
ASSI { 392}
( resid 69 and name HD2%)
((resid 69 and name HG ))
2.500 0.800 0.800 peak 392 weight 0.10000E+01 volume 0.38240E-02 ppm1 0.680 ppm2 1.344 CV 1
ASSI { 395}
( resid 91 and name HD2%)
((resid 91 and name HG ))
2.300 0.700 0.700 peak 395 weight 0.10000E+01 volume 0.64898E-02 ppm1 0.673 ppm2 1.474 CV 1
ASSI { 396}
( resid 69 and name HD2%)
((resid 69 and name HB3 ))
2.300 0.600 0.600 peak 396 weight 0.10000E+01 volume 0.71268E-02 ppm1 0.682 ppm2 1.100 CV 1
ASSI { 398}
( resid 104 and name HG2%)
((resid 105 and name HN ))
3.500 1.500 1.500 peak 398 weight 0.10000E+01 volume 0.56207E-03 ppm1 1.268 ppm2 8.117 CV 1
ASSI { 399}
( resid 104 and name HG2%)
((resid 104 and name HA ))
2.500 0.800 0.800 peak 399 weight 0.10000E+01 volume 0.45570E-02 ppm1 1.269 ppm2 4.275 CV 1
ASSI { 401}
( resid 104 and name HG2%)
((resid 86 and name HG2 ))
3.900 1.900 1.900 peak 401 weight 0.10000E+01 volume 0.30153E-03 ppm1 1.269 ppm2 2.478 CV 1
ASSI { 402}
( resid 104 and name HG2%)
((resid 86 and name HG3 ))
4.000 2.000 2.000 peak 402 weight 0.10000E+01 volume 0.22731E-03 ppm1 1.268 ppm2 2.377 CV 1
ASSI { 406}
( resid 104 and name HG2%)
((resid 103 and name HN ))
4.900 3.000 1.100 peak 406 weight 0.10000E+01 volume 0.75769E-04 ppm1 1.273 ppm2 8.857 CV 1
ASSI { 408}
( resid 104 and name HG2%)
((resid 105 and name HG1 ))
5.000 3.200 1.000 peak 408 weight 0.10000E+01 volume 0.61851E-04 ppm1 1.273 ppm2 5.964 CV 1
ASSI { 409}
( resid 104 and name HG2%)
((resid 105 and name HB ))
3.600 1.600 1.600 peak 409 weight 0.10000E+01 volume 0.47317E-03 ppm1 1.270 ppm2 4.506 CV 1
ASSI { 411}
( resid 117 and name HB% )
( resid 69 and name HD1%)
2.600 0.500 2.500 peak 411 weight 0.10000E+01 volume 0.17024E-01 ppm1 1.363 ppm2 0.656 CV 1
ASSI { 413}
( resid 117 and name HB% )
((resid 118 and name HA ))
4.900 2.100 1.900 peak 413 weight 0.10000E+01 volume 0.20272E-03 ppm1 1.364 ppm2 4.259 CV 1
ASSI { 414}
( resid 117 and name HB% )
((resid 116 and name HA ))
4.500 1.700 1.700 peak 414 weight 0.10000E+01 volume 0.37746E-03 ppm1 1.364 ppm2 5.239 CV 1
ASSI { 415}
( resid 117 and name HB% )
((resid 118 and name HN ))
2.800 0.600 0.600 peak 415 weight 0.10000E+01 volume 0.97184E-02 ppm1 1.364 ppm2 8.592 CV 1
ASSI { 416}
( resid 117 and name HB% )
((resid 67 and name HN ))
4.100 1.400 1.400 peak 416 weight 0.10000E+01 volume 0.75830E-03 ppm1 1.365 ppm2 8.966 CV 1
ASSI { 417}
( resid 117 and name HB% )
((resid 119 and name HN ))
5.700 2.800 1.300 peak 417 weight 0.10000E+01 volume 0.88757E-04 ppm1 1.363 ppm2 8.360 CV 1
ASSI { 418}
( resid 117 and name HB% )
((resid 69 and name HN ))
5.900 2.600 1.500 peak 418 weight 0.10000E+01 volume 0.11380E-03 ppm1 1.363 ppm2 9.465 CV 1
ASSI { 421}
( resid 117 and name HB% )
( resid 116 and name HG1%)
6.000 2.500 1.500 peak 421 weight 0.10000E+01 volume 0.11767E-03 ppm1 1.363 ppm2 0.372 CV 1
ASSI { 423}
( resid 117 and name HB% )
((resid 116 and name HB ))
5.200 1.200 1.200 peak 423 weight 0.10000E+01 volume 0.11719E-02 ppm1 1.362 ppm2 1.773 CV 1
ASSI { 424}
( resid 117 and name HB% )
((resid 66 and name HB ))
5.000 2.100 1.900 peak 424 weight 0.10000E+01 volume 0.21694E-03 ppm1 1.366 ppm2 2.004 CV 1
ASSI { 445}
( resid 65 and name HD1%)
((resid 89 and name HD2 ))
3.700 1.700 1.700 peak 445 weight 0.10000E+01 volume 0.40528E-03 ppm1 0.774 ppm2 3.138 CV 1
OR { 445}
( resid 65 and name HD1%)
((resid 89 and name HD3 ))
ASSI { 447}
( resid 65 and name HD1%)
((resid 65 and name HA ))
2.300 0.600 0.600 peak 447 weight 0.10000E+01 volume 0.73619E-02 ppm1 0.773 ppm2 5.191 CV 1
ASSI { 449}
( resid 65 and name HD1%)
((resid 89 and name HE ))
4.000 2.000 2.000 peak 449 weight 0.10000E+01 volume 0.25993E-03 ppm1 0.775 ppm2 7.597 CV 1
ASSI { 451}
( resid 65 and name HD1%)
((resid 64 and name HN ))
4.500 2.500 1.500 peak 451 weight 0.10000E+01 volume 0.12633E-03 ppm1 0.772 ppm2 8.513 CV 1
ASSI { 453}
( resid 65 and name HD1%)
((resid 90 and name HN ))
3.100 1.200 1.200 peak 453 weight 0.10000E+01 volume 0.10924E-02 ppm1 0.775 ppm2 8.947 CV 1
ASSI { 454}
( resid 65 and name HD1%)
((resid 66 and name HN ))
3.000 1.100 1.100 peak 454 weight 0.10000E+01 volume 0.14322E-02 ppm1 0.774 ppm2 9.035 CV 1
ASSI { 455}
( resid 65 and name HD1%)
((resid 65 and name HG ))
2.100 0.500 0.500 peak 455 weight 0.10000E+01 volume 0.12830E-01 ppm1 0.775 ppm2 1.521 CV 1
ASSI { 456}
( resid 65 and name HD1%)
((resid 65 and name HB2 ))
2.300 0.700 0.700 peak 456 weight 0.10000E+01 volume 0.68470E-02 ppm1 0.775 ppm2 1.663 CV 1
ASSI { 462}
( resid 103 and name HD1%)
((resid 103 and name HB3 ))
2.400 0.600 0.600 peak 462 weight 0.10000E+01 volume 0.93891E-02 ppm1 0.810 ppm2 1.717 CV 1
ASSI { 467}
( resid 88 and name HD1%)
((resid 90 and name HN ))
3.700 1.700 1.700 peak 467 weight 0.10000E+01 volume 0.37761E-03 ppm1 0.043 ppm2 8.977 CV 1
ASSI { 469}
( resid 88 and name HD1%)
((resid 68 and name HN ))
3.500 1.600 1.600 peak 469 weight 0.10000E+01 volume 0.51275E-03 ppm1 0.043 ppm2 8.544 CV 1
ASSI { 470}
( resid 88 and name HD1%)
( resid 82 and name HE% )
3.400 1.400 1.400 peak 470 weight 0.10000E+01 volume 0.69506E-03 ppm1 0.044 ppm2 7.481 CV 1
ASSI { 471}
( resid 88 and name HD1%)
( resid 82 and name HD% )
3.500 1.500 1.500 peak 471 weight 0.10000E+01 volume 0.58528E-03 ppm1 0.043 ppm2 6.981 CV 1
ASSI { 472}
( resid 88 and name HD1%)
((resid 87 and name HA ))
3.600 1.600 1.600 peak 472 weight 0.10000E+01 volume 0.45060E-03 ppm1 0.043 ppm2 5.233 CV 1
ASSI { 476}
( resid 88 and name HD1%)
((resid 86 and name HG3 ))
3.800 1.800 1.800 peak 476 weight 0.10000E+01 volume 0.34854E-03 ppm1 0.043 ppm2 2.363 CV 1
ASSI { 478}
( resid 88 and name HD1%)
((resid 111 and name HB ))
2.700 0.900 0.900 peak 478 weight 0.10000E+01 volume 0.23643E-02 ppm1 0.043 ppm2 1.674 CV 1
ASSI { 479}
( resid 88 and name HD1%)
((resid 88 and name HB3 ))
2.300 0.700 0.700 peak 479 weight 0.10000E+01 volume 0.70217E-02 ppm1 0.042 ppm2 1.109 CV 1
ASSI { 486}
( resid 88 and name HD1%)
((resid 80 and name HG ))
4.100 2.100 1.900 peak 486 weight 0.10000E+01 volume 0.22298E-03 ppm1 0.043 ppm2 1.749 CV 1
ASSI { 487}
( resid 88 and name HD2%)
( resid 88 and name HD1%)
2.200 0.600 0.600 peak 487 weight 0.10000E+01 volume 0.89190E-02 ppm1 0.636 ppm2 0.039 CV 1
ASSI { 490}
( resid 88 and name HD2%)
((resid 88 and name HB3 ))
2.200 0.600 0.600 peak 490 weight 0.10000E+01 volume 0.93489E-02 ppm1 0.635 ppm2 1.108 CV 1
ASSI { 492}
( resid 88 and name HD2%)
((resid 111 and name HB ))
3.300 1.400 1.400 peak 492 weight 0.10000E+01 volume 0.73000E-03 ppm1 0.634 ppm2 1.675 CV 1
ASSI { 493}
( resid 88 and name HD2%)
((resid 80 and name HG ))
3.200 1.300 1.300 peak 493 weight 0.10000E+01 volume 0.93597E-03 ppm1 0.634 ppm2 1.743 CV 1
ASSI { 494}
( resid 88 and name HD2%)
((resid 86 and name HB3 ))
3.300 1.400 1.400 peak 494 weight 0.10000E+01 volume 0.72846E-03 ppm1 0.634 ppm2 2.106 CV 1
ASSI { 495}
( resid 88 and name HD2%)
((resid 86 and name HG3 ))
2.800 1.000 1.000 peak 495 weight 0.10000E+01 volume 0.19654E-02 ppm1 0.634 ppm2 2.363 CV 1
ASSI { 500}
( resid 88 and name HD2%)
((resid 102 and name HA ))
3.900 1.900 1.900 peak 500 weight 0.10000E+01 volume 0.27215E-03 ppm1 0.638 ppm2 4.673 CV 1
ASSI { 502}
( resid 88 and name HD2%)
((resid 87 and name HA ))
3.900 1.900 1.900 peak 502 weight 0.10000E+01 volume 0.28050E-03 ppm1 0.638 ppm2 5.233 CV 1
ASSI { 503}
( resid 88 and name HD2%)
( resid 82 and name HD% )
3.000 1.100 1.100 peak 503 weight 0.10000E+01 volume 0.14859E-02 ppm1 0.636 ppm2 6.969 CV 1
ASSI { 504}
( resid 88 and name HD2%)
( resid 82 and name HE% )
4.000 2.000 2.000 peak 504 weight 0.10000E+01 volume 0.24122E-03 ppm1 0.636 ppm2 7.471 CV 1
ASSI { 505}
( resid 88 and name HD2%)
((resid 102 and name HN ))
2.900 1.100 1.100 peak 505 weight 0.10000E+01 volume 0.15204E-02 ppm1 0.636 ppm2 8.760 CV 1
ASSI { 506}
( resid 88 and name HD2%)
((resid 103 and name HN ))
2.900 1.000 1.000 peak 506 weight 0.10000E+01 volume 0.17937E-02 ppm1 0.635 ppm2 8.869 CV 1
ASSI { 507}
( resid 88 and name HD2%)
((resid 83 and name HN ))
3.100 1.200 1.200 peak 507 weight 0.10000E+01 volume 0.10978E-02 ppm1 0.635 ppm2 8.972 CV 1
ASSI { 510}
( resid 69 and name HD1%)
((resid 69 and name HN ))
4.600 1.300 1.300 peak 510 weight 0.10000E+01 volume 0.91896E-03 ppm1 0.656 ppm2 9.465 CV 1
ASSI { 511}
( resid 69 and name HD1%)
((resid 117 and name HN ))
4.800 1.400 1.400 peak 511 weight 0.10000E+01 volume 0.64898E-03 ppm1 0.656 ppm2 8.576 CV 1
ASSI { 512}
( resid 69 and name HD1%)
((resid 116 and name HN ))
4.000 2.000 2.000 peak 512 weight 0.10000E+01 volume 0.23874E-03 ppm1 0.658 ppm2 7.012 CV 1
ASSI { 513}
( resid 69 and name HD1%)
((resid 116 and name HA ))
4.000 2.000 2.000 peak 513 weight 0.10000E+01 volume 0.24122E-03 ppm1 0.656 ppm2 5.247 CV 1
ASSI { 515}
( resid 69 and name HD1%)
((resid 69 and name HA ))
4.700 1.200 1.200 peak 515 weight 0.10000E+01 volume 0.12500E-02 ppm1 0.658 ppm2 4.056 CV 1
ASSI { 516}
( resid 69 and name HD1%)
((resid 69 and name HG ))
2.300 0.700 0.700 peak 516 weight 0.10000E+01 volume 0.66321E-02 ppm1 0.654 ppm2 1.359 CV 1
ASSI { 519}
( resid 69 and name HD1%)
((resid 69 and name HB3 ))
2.900 0.600 0.600 peak 519 weight 0.10000E+01 volume 0.85077E-02 ppm1 0.651 ppm2 1.103 CV 1
ASSI { 520}
( resid 91 and name HD1%)
((resid 100 and name HN ))
4.100 2.200 1.900 peak 520 weight 0.10000E+01 volume 0.19591E-03 ppm1 0.694 ppm2 9.422 CV 1
ASSI { 521}
( resid 91 and name HD1%)
((resid 91 and name HN ))
3.300 1.300 1.300 peak 521 weight 0.10000E+01 volume 0.81459E-03 ppm1 0.692 ppm2 9.207 CV 1
ASSI { 522}
( resid 91 and name HD1%)
((resid 101 and name HN ))
3.200 1.300 1.300 peak 522 weight 0.10000E+01 volume 0.89995E-03 ppm1 0.692 ppm2 8.977 CV 1
ASSI { 523}
( resid 91 and name HD1%)
((resid 109 and name HN ))
3.400 1.500 1.500 peak 523 weight 0.10000E+01 volume 0.59950E-03 ppm1 0.692 ppm2 8.734 CV 1
ASSI { 524}
( resid 91 and name HD1%)
((resid 101 and name HE21 ))
4.500 1.300 1.300 peak 524 weight 0.10000E+01 volume 0.87134E-03 ppm1 0.690 ppm2 7.672 CV 1
ASSI { 525}
( resid 91 and name HD1%)
((resid 101 and name HE22))
4.000 2.000 2.000 peak 525 weight 0.10000E+01 volume 0.22777E-03 ppm1 0.692 ppm2 6.739 CV 1
ASSI { 526}
( resid 91 and name HD1%)
((resid 108 and name HA ))
3.800 1.800 1.800 peak 526 weight 0.10000E+01 volume 0.34003E-03 ppm1 0.690 ppm2 5.692 CV 1
ASSI { 527}
( resid 91 and name HD1%)
((resid 100 and name HA ))
4.000 2.000 2.000 peak 527 weight 0.10000E+01 volume 0.24246E-03 ppm1 0.690 ppm2 5.434 CV 1
ASSI { 528}
( resid 91 and name HD1%)
((resid 101 and name HA ))
3.400 1.500 1.500 peak 528 weight 0.10000E+01 volume 0.61218E-03 ppm1 0.690 ppm2 5.267 CV 1
ASSI { 529}
( resid 91 and name HD1%)
((resid 91 and name HA ))
3.400 1.500 1.500 peak 529 weight 0.10000E+01 volume 0.60985E-03 ppm1 0.690 ppm2 4.343 CV 1
ASSI { 530}
( resid 91 and name HD1%)
((resid 90 and name HA ))
3.400 1.500 1.500 peak 530 weight 0.10000E+01 volume 0.59409E-03 ppm1 0.690 ppm2 4.243 CV 1
ASSI { 532}
( resid 91 and name HD1%)
((resid 108 and name HG3 ))
3.300 1.400 1.400 peak 532 weight 0.10000E+01 volume 0.72939E-03 ppm1 0.692 ppm2 2.234 CV 1
ASSI { 533}
( resid 91 and name HD1%)
((resid 108 and name HG2 ))
2.600 0.900 0.900 peak 533 weight 0.10000E+01 volume 0.30539E-02 ppm1 0.692 ppm2 2.007 CV 1
ASSI { 535}
( resid 91 and name HD1%)
((resid 91 and name HB3 ))
2.200 0.600 0.600 peak 535 weight 0.10000E+01 volume 0.77639E-02 ppm1 0.692 ppm2 1.553 CV 1
ASSI { 536}
( resid 91 and name HD1%)
((resid 91 and name HG ))
2.200 0.600 0.600 peak 536 weight 0.10000E+01 volume 0.87861E-02 ppm1 0.688 ppm2 1.446 CV 1
ASSI { 537}
( resid 91 and name HD1%)
((resid 99 and name HG3 ))
2.900 1.000 1.000 peak 537 weight 0.10000E+01 volume 0.17426E-02 ppm1 0.692 ppm2 1.348 CV 1
ASSI { 539}
( resid 91 and name HD1%)
((resid 99 and name HD2 ))
2.400 0.700 0.700 peak 539 weight 0.10000E+01 volume 0.56950E-02 ppm1 0.690 ppm2 1.090 CV 1
ASSI { 541}
((resid 100 and name HA ))
((resid 100 and name HN ))
2.700 0.900 0.900 peak 541 weight 0.10000E+01 volume 0.25560E-02 ppm1 5.457 ppm2 9.408 CV 1
ASSI { 542}
((resid 100 and name HA ))
((resid 91 and name HN ))
2.400 0.700 0.700 peak 542 weight 0.10000E+01 volume 0.54847E-02 ppm1 5.457 ppm2 9.221 CV 1
ASSI { 544}
((resid 100 and name HA ))
((resid 89 and name HN ))
3.600 1.600 1.600 peak 544 weight 0.10000E+01 volume 0.45012E-03 ppm1 5.456 ppm2 8.749 CV 1
ASSI { 549}
((resid 100 and name HA ))
((resid 90 and name HB ))
3.500 1.600 1.600 peak 549 weight 0.10000E+01 volume 0.51924E-03 ppm1 5.458 ppm2 1.960 CV 1
ASSI { 552}
((resid 100 and name HA ))
( resid 100 and name HB% )
2.000 0.500 0.500 peak 552 weight 0.10000E+01 volume 0.13487E-01 ppm1 5.457 ppm2 1.219 CV 1
ASSI { 555}
((resid 100 and name HA ))
( resid 91 and name HD2%)
3.100 1.200 1.200 peak 555 weight 0.10000E+01 volume 0.11582E-02 ppm1 5.457 ppm2 0.664 CV 1
ASSI { 557}
((resid 90 and name HA ))
((resid 91 and name HN ))
2.000 0.500 0.500 peak 557 weight 0.10000E+01 volume 0.15803E-01 ppm1 4.257 ppm2 9.221 CV 1
ASSI { 558}
((resid 90 and name HA ))
((resid 90 and name HN ))
2.600 0.800 0.800 peak 558 weight 0.10000E+01 volume 0.36230E-02 ppm1 4.258 ppm2 8.949 CV 1
ASSI { 559}
((resid 90 and name HA ))
((resid 92 and name HN ))
3.100 1.200 1.200 peak 559 weight 0.10000E+01 volume 0.10958E-02 ppm1 4.254 ppm2 7.672 CV 1
ASSI { 560}
((resid 90 and name HA ))
((resid 100 and name HA ))
2.200 0.600 0.600 peak 560 weight 0.10000E+01 volume 0.81876E-02 ppm1 4.254 ppm2 5.451 CV 1
ASSI { 563}
((resid 90 and name HA ))
((resid 90 and name HB ))
2.900 1.100 1.100 peak 563 weight 0.10000E+01 volume 0.15462E-02 ppm1 4.256 ppm2 1.967 CV 1
ASSI { 564}
((resid 90 and name HA ))
((resid 90 and name HG12))
2.900 1.100 1.100 peak 564 weight 0.10000E+01 volume 0.16050E-02 ppm1 4.257 ppm2 1.568 CV 1
ASSI { 566}
((resid 90 and name HA ))
( resid 100 and name HB% )
2.400 0.700 0.700 peak 566 weight 0.10000E+01 volume 0.51987E-02 ppm1 4.255 ppm2 1.223 CV 1
ASSI { 567}
((resid 90 and name HA ))
( resid 90 and name HD1%)
2.100 0.600 0.600 peak 567 weight 0.10000E+01 volume 0.11033E-01 ppm1 4.256 ppm2 0.738 CV 1
ASSI { 568}
((resid 90 and name HA ))
( resid 90 and name HG2%)
2.300 0.700 0.700 peak 568 weight 0.10000E+01 volume 0.60290E-02 ppm1 4.256 ppm2 0.555 CV 1
ASSI { 569}
((resid 108 and name HA ))
((resid 100 and name HN ))
3.800 1.800 1.800 peak 569 weight 0.10000E+01 volume 0.32441E-03 ppm1 5.703 ppm2 9.407 CV 1
ASSI { 570}
((resid 108 and name HA ))
((resid 101 and name HN ))
3.700 1.700 1.700 peak 570 weight 0.10000E+01 volume 0.41240E-03 ppm1 5.700 ppm2 8.948 CV 1
ASSI { 575}
((resid 108 and name HA ))
((resid 107 and name HA ))
4.900 1.000 1.000 peak 575 weight 0.10000E+01 volume 0.17226E-02 ppm1 5.701 ppm2 4.193 CV 1
ASSI { 576}
((resid 108 and name HA ))
((resid 109 and name HA2 ))
3.600 1.600 1.600 peak 576 weight 0.10000E+01 volume 0.43513E-03 ppm1 5.703 ppm2 4.093 CV 1
ASSI { 577}
((resid 108 and name HA ))
((resid 109 and name HA1 ))
3.900 1.900 1.900 peak 577 weight 0.10000E+01 volume 0.29503E-03 ppm1 5.701 ppm2 3.933 CV 1
ASSI { 578}
((resid 108 and name HA ))
((resid 108 and name HG3 ))
3.000 1.100 1.100 peak 578 weight 0.10000E+01 volume 0.14454E-02 ppm1 5.700 ppm2 2.243 CV 1
ASSI { 579}
((resid 108 and name HA ))
((resid 108 and name HG2 ))
2.400 0.700 0.700 peak 579 weight 0.10000E+01 volume 0.52357E-02 ppm1 5.700 ppm2 2.015 CV 1
ASSI { 580}
((resid 108 and name HA ))
((resid 108 and name HB3 ))
2.600 0.800 0.800 peak 580 weight 0.10000E+01 volume 0.32720E-02 ppm1 5.700 ppm2 1.817 CV 1
ASSI { 581}
((resid 108 and name HA ))
( resid 100 and name HB% )
4.400 2.500 1.600 peak 581 weight 0.10000E+01 volume 0.13206E-03 ppm1 5.700 ppm2 1.216 CV 1
ASSI { 582}
((resid 108 and name HA ))
( resid 80 and name HD1%)
2.900 1.100 1.100 peak 582 weight 0.10000E+01 volume 0.16081E-02 ppm1 5.700 ppm2 0.799 CV 1
ASSI { 583}
((resid 108 and name HA ))
( resid 80 and name HD2%)
2.500 0.800 0.800 peak 583 weight 0.10000E+01 volume 0.44023E-02 ppm1 5.700 ppm2 0.656 CV 1
ASSI { 585}
((resid 108 and name HA ))
((resid 108 and name HB2 ))
2.500 0.800 0.800 peak 585 weight 0.10000E+01 volume 0.40034E-02 ppm1 5.700 ppm2 1.876 CV 1
ASSI { 587}
((resid 110 and name HA ))
((resid 111 and name HN ))
2.000 0.500 0.500 peak 587 weight 0.10000E+01 volume 0.15041E-01 ppm1 5.648 ppm2 9.568 CV 1
ASSI { 588}
((resid 110 and name HA ))
((resid 100 and name HN ))
2.800 1.000 1.000 peak 588 weight 0.10000E+01 volume 0.21896E-02 ppm1 5.644 ppm2 9.415 CV 1
ASSI { 589}
((resid 110 and name HA ))
((resid 110 and name HN ))
2.700 0.900 0.900 peak 589 weight 0.10000E+01 volume 0.27678E-02 ppm1 5.647 ppm2 8.713 CV 1
ASSI { 590}
((resid 110 and name HA ))
( resid 110 and name HD% )
3.200 1.300 1.300 peak 590 weight 0.10000E+01 volume 0.98731E-03 ppm1 5.646 ppm2 7.141 CV 1
ASSI { 593}
((resid 110 and name HA ))
((resid 110 and name HB3 ))
2.200 0.600 0.600 peak 593 weight 0.10000E+01 volume 0.92824E-02 ppm1 5.646 ppm2 3.138 CV 1
ASSI { 594}
((resid 110 and name HA ))
((resid 110 and name HB2 ))
3.700 1.700 1.700 peak 594 weight 0.10000E+01 volume 0.41363E-03 ppm1 5.648 ppm2 2.937 CV 1
ASSI { 595}
((resid 110 and name HA ))
((resid 99 and name HD3 ))
3.800 1.800 1.800 peak 595 weight 0.10000E+01 volume 0.32951E-03 ppm1 5.649 ppm2 0.751 CV 1
ASSI { 596}
((resid 110 and name HA ))
((resid 111 and name HG12))
3.500 1.500 1.500 peak 596 weight 0.10000E+01 volume 0.57136E-03 ppm1 5.649 ppm2 0.999 CV 1
ASSI { 597}
((resid 110 and name HA ))
((resid 99 and name HD2 ))
3.000 1.100 1.100 peak 597 weight 0.10000E+01 volume 0.13930E-02 ppm1 5.647 ppm2 1.113 CV 1
ASSI { 598}
((resid 110 and name HA ))
( resid 100 and name HB% )
4.400 2.400 1.600 peak 598 weight 0.10000E+01 volume 0.14426E-03 ppm1 5.649 ppm2 1.207 CV 1
ASSI { 599}
((resid 110 and name HA ))
((resid 111 and name HG13))
3.700 1.700 1.700 peak 599 weight 0.10000E+01 volume 0.38735E-03 ppm1 5.646 ppm2 1.398 CV 1
ASSI { 600}
((resid 110 and name HA ))
((resid 99 and name HB2 ))
4.100 2.100 1.900 peak 600 weight 0.10000E+01 volume 0.19947E-03 ppm1 5.649 ppm2 1.566 CV 1
ASSI { 601}
((resid 110 and name HA ))
((resid 99 and name HB3 ))
4.000 2.000 2.000 peak 601 weight 0.10000E+01 volume 0.24834E-03 ppm1 5.649 ppm2 1.654 CV 1
ASSI { 602}
((resid 110 and name HA ))
((resid 98 and name HN ))
4.200 2.200 1.800 peak 602 weight 0.10000E+01 volume 0.18463E-03 ppm1 5.646 ppm2 9.006 CV 1
ASSI { 603}
((resid 110 and name HB3 ))
((resid 111 and name HN ))
2.900 1.100 1.100 peak 603 weight 0.10000E+01 volume 0.15927E-02 ppm1 3.138 ppm2 9.561 CV 1
ASSI { 604}
((resid 110 and name HB3 ))
((resid 80 and name HN ))
4.100 2.100 1.900 peak 604 weight 0.10000E+01 volume 0.21602E-03 ppm1 3.145 ppm2 9.092 CV 1
ASSI { 605}
((resid 110 and name HB3 ))
((resid 110 and name HN ))
2.500 0.800 0.800 peak 605 weight 0.10000E+01 volume 0.37421E-02 ppm1 3.138 ppm2 8.715 CV 1
ASSI { 607}
((resid 110 and name HB3 ))
( resid 110 and name HD% )
2.300 0.600 0.600 peak 607 weight 0.10000E+01 volume 0.75057E-02 ppm1 3.138 ppm2 7.166 CV 1
ASSI { 608}
((resid 110 and name HB3 ))
((resid 97 and name HZ3 ))
5.000 3.100 1.000 peak 608 weight 0.10000E+01 volume 0.67264E-04 ppm1 3.141 ppm2 6.736 CV 1
ASSI { 610}
((resid 110 and name HB3 ))
((resid 79 and name HA ))
2.500 0.800 0.800 peak 610 weight 0.10000E+01 volume 0.43776E-02 ppm1 3.141 ppm2 5.333 CV 1
ASSI { 611}
((resid 110 and name HB3 ))
((resid 99 and name HA ))
4.100 2.100 1.900 peak 611 weight 0.10000E+01 volume 0.22158E-03 ppm1 3.147 ppm2 4.415 CV 1
ASSI { 612}
((resid 110 and name HB3 ))
((resid 109 and name HA1 ))
4.300 2.300 1.700 peak 612 weight 0.10000E+01 volume 0.15030E-03 ppm1 3.150 ppm2 3.913 CV 1
ASSI { 614}
((resid 110 and name HB3 ))
((resid 110 and name HB2 ))
2.300 0.700 0.700 peak 614 weight 0.10000E+01 volume 0.64033E-02 ppm1 3.149 ppm2 2.966 CV 1
ASSI { 615}
((resid 110 and name HB3 ))
((resid 97 and name HA ))
3.900 1.900 1.900 peak 615 weight 0.10000E+01 volume 0.30215E-03 ppm1 3.145 ppm2 5.215 CV 1
ASSI { 616}
((resid 98 and name HA ))
((resid 98 and name HE1 ))
3.500 1.600 1.600 peak 616 weight 0.10000E+01 volume 0.50750E-03 ppm1 5.445 ppm2 9.522 CV 1
ASSI { 617}
((resid 98 and name HA ))
((resid 98 and name HN ))
2.700 0.900 0.900 peak 617 weight 0.10000E+01 volume 0.23256E-02 ppm1 5.446 ppm2 9.006 CV 1
ASSI { 618}
((resid 98 and name HA ))
((resid 99 and name HN ))
2.100 0.500 0.500 peak 618 weight 0.10000E+01 volume 0.12215E-01 ppm1 5.445 ppm2 8.716 CV 1
ASSI { 620}
((resid 98 and name HA ))
((resid 98 and name HE3 ))
3.500 1.500 1.500 peak 620 weight 0.10000E+01 volume 0.54414E-03 ppm1 5.445 ppm2 7.210 CV 1
ASSI { 621}
((resid 98 and name HA ))
((resid 98 and name HD1 ))
2.200 0.600 0.600 peak 621 weight 0.10000E+01 volume 0.85727E-02 ppm1 5.446 ppm2 6.883 CV 1
ASSI { 625}
((resid 98 and name HA ))
((resid 93 and name HA ))
2.700 0.900 0.900 peak 625 weight 0.10000E+01 volume 0.26241E-02 ppm1 5.447 ppm2 3.584 CV 1
ASSI { 626}
((resid 98 and name HA ))
((resid 98 and name HB3 ))
2.600 0.800 0.800 peak 626 weight 0.10000E+01 volume 0.33122E-02 ppm1 5.444 ppm2 3.324 CV 1
ASSI { 627}
((resid 98 and name HA ))
((resid 98 and name HB2 ))
2.900 1.000 1.000 peak 627 weight 0.10000E+01 volume 0.17133E-02 ppm1 5.446 ppm2 2.951 CV 1
ASSI { 634}
((resid 98 and name HA ))
( resid 90 and name HG2%)
3.600 1.600 1.600 peak 634 weight 0.10000E+01 volume 0.45461E-03 ppm1 5.445 ppm2 0.555 CV 1
ASSI { 635}
((resid 98 and name HB3 ))
((resid 98 and name HE1 ))
4.500 2.500 1.500 peak 635 weight 0.10000E+01 volume 0.11752E-03 ppm1 3.328 ppm2 9.551 CV 1
ASSI { 636}
((resid 98 and name HB3 ))
((resid 98 and name HN ))
2.700 0.900 0.900 peak 636 weight 0.10000E+01 volume 0.24307E-02 ppm1 3.329 ppm2 9.012 CV 1
ASSI { 637}
((resid 98 and name HB3 ))
((resid 99 and name HN ))
2.700 0.900 0.900 peak 637 weight 0.10000E+01 volume 0.27942E-02 ppm1 3.329 ppm2 8.707 CV 1
ASSI { 639}
((resid 98 and name HB3 ))
((resid 98 and name HE3 ))
2.700 0.900 0.900 peak 639 weight 0.10000E+01 volume 0.27045E-02 ppm1 3.330 ppm2 7.218 CV 1
ASSI { 640}
((resid 98 and name HB3 ))
((resid 98 and name HD1 ))
3.200 1.300 1.300 peak 640 weight 0.10000E+01 volume 0.91263E-03 ppm1 3.328 ppm2 6.875 CV 1
ASSI { 645}
((resid 98 and name HB3 ))
((resid 99 and name HB3 ))
4.900 3.000 1.100 peak 645 weight 0.10000E+01 volume 0.73294E-04 ppm1 3.322 ppm2 1.646 CV 1
ASSI { 646}
((resid 98 and name HB3 ))
((resid 111 and name HG13))
2.900 1.000 1.000 peak 646 weight 0.10000E+01 volume 0.17782E-02 ppm1 3.325 ppm2 1.396 CV 1
ASSI { 648}
((resid 98 and name HB3 ))
( resid 100 and name HB% )
3.600 1.700 1.700 peak 648 weight 0.10000E+01 volume 0.42523E-03 ppm1 3.326 ppm2 1.224 CV 1
ASSI { 650}
((resid 98 and name HB3 ))
( resid 90 and name HD1%)
2.800 1.000 1.000 peak 650 weight 0.10000E+01 volume 0.20039E-02 ppm1 3.328 ppm2 0.740 CV 1
ASSI { 652}
((resid 98 and name HB3 ))
( resid 111 and name HD1%)
3.000 1.200 1.200 peak 652 weight 0.10000E+01 volume 0.12665E-02 ppm1 3.326 ppm2 0.452 CV 1
ASSI { 655}
((resid 98 and name HB2 ))
( resid 90 and name HD1%)
2.900 1.000 1.000 peak 655 weight 0.10000E+01 volume 0.18200E-02 ppm1 2.967 ppm2 0.734 CV 1
ASSI { 659}
((resid 98 and name HB2 ))
((resid 111 and name HG13))
2.600 0.800 0.800 peak 659 weight 0.10000E+01 volume 0.32596E-02 ppm1 2.968 ppm2 1.402 CV 1
ASSI { 660}
((resid 98 and name HB2 ))
((resid 99 and name HB3 ))
6.000 1.700 1.000 peak 660 weight 0.10000E+01 volume 0.38611E-03 ppm1 2.964 ppm2 1.647 CV 1
ASSI { 663}
((resid 98 and name HB2 ))
((resid 98 and name HB3 ))
1.800 0.400 0.400 peak 663 weight 0.10000E+01 volume 0.32117E-01 ppm1 2.970 ppm2 3.324 CV 1
ASSI { 664}
((resid 98 and name HB2 ))
((resid 97 and name HA ))
3.600 1.600 1.600 peak 664 weight 0.10000E+01 volume 0.46311E-03 ppm1 2.968 ppm2 5.227 CV 1
ASSI { 667}
((resid 98 and name HB2 ))
((resid 98 and name HD1 ))
3.600 1.600 1.600 peak 667 weight 0.10000E+01 volume 0.49543E-03 ppm1 2.967 ppm2 6.875 CV 1
ASSI { 668}
((resid 98 and name HB2 ))
((resid 98 and name HE3 ))
2.600 0.900 0.900 peak 668 weight 0.10000E+01 volume 0.29828E-02 ppm1 2.961 ppm2 7.213 CV 1
ASSI { 669}
((resid 98 and name HB2 ))
((resid 99 and name HN ))
3.000 1.200 1.200 peak 669 weight 0.10000E+01 volume 0.12534E-02 ppm1 2.963 ppm2 8.701 CV 1
ASSI { 671}
((resid 98 and name HB2 ))
((resid 98 and name HE1 ))
3.800 1.800 1.800 peak 671 weight 0.10000E+01 volume 0.31869E-03 ppm1 2.970 ppm2 9.555 CV 1
ASSI { 676}
( resid 88 and name HD1%)
((resid 66 and name HN ))
4.700 2.800 1.300 peak 676 weight 0.10000E+01 volume 0.88912E-04 ppm1 0.044 ppm2 9.041 CV 1
ASSI { 678}
((resid 82 and name HB3 ))
((resid 82 and name HN ))
3.300 1.400 1.400 peak 678 weight 0.10000E+01 volume 0.77454E-03 ppm1 3.280 ppm2 7.887 CV 1
ASSI { 679}
((resid 82 and name HB3 ))
( resid 82 and name HE% )
3.700 1.700 1.700 peak 679 weight 0.10000E+01 volume 0.37065E-03 ppm1 3.280 ppm2 7.471 CV 1
ASSI { 680}
((resid 82 and name HB3 ))
( resid 82 and name HD% )
2.200 0.600 0.600 peak 680 weight 0.10000E+01 volume 0.83547E-02 ppm1 3.278 ppm2 6.969 CV 1
ASSI { 684}
((resid 82 and name HB3 ))
((resid 86 and name HB2 ))
3.200 1.300 1.300 peak 684 weight 0.10000E+01 volume 0.93845E-03 ppm1 3.280 ppm2 2.363 CV 1
ASSI { 686}
((resid 82 and name HB3 ))
((resid 80 and name HG ))
3.400 1.500 1.500 peak 686 weight 0.10000E+01 volume 0.59301E-03 ppm1 3.280 ppm2 1.760 CV 1
ASSI { 687}
((resid 82 and name HB3 ))
( resid 68 and name HB% )
3.300 1.400 1.400 peak 687 weight 0.10000E+01 volume 0.75521E-03 ppm1 3.280 ppm2 1.674 CV 1
ASSI { 689}
((resid 82 and name HB3 ))
( resid 88 and name HD2%)
2.500 0.800 0.800 peak 689 weight 0.10000E+01 volume 0.41627E-02 ppm1 3.280 ppm2 0.627 CV 1
ASSI { 691}
((resid 82 and name HB3 ))
( resid 88 and name HD1%)
3.000 1.100 1.100 peak 691 weight 0.10000E+01 volume 0.14322E-02 ppm1 3.282 ppm2 0.039 CV 1
ASSI { 692}
( resid 88 and name HD1%)
((resid 88 and name HB2 ))
2.400 0.700 0.700 peak 692 weight 0.10000E+01 volume 0.48121E-02 ppm1 0.045 ppm2 1.172 CV 1
ASSI { 694}
((resid 86 and name HG2 ))
((resid 87 and name HN ))
3.500 0.900 0.900 peak 694 weight 0.10000E+01 volume 0.26256E-02 ppm1 2.485 ppm2 8.424 CV 1
ASSI { 695}
((resid 86 and name HG2 ))
((resid 86 and name HN ))
3.000 1.100 1.100 peak 695 weight 0.10000E+01 volume 0.13013E-02 ppm1 2.487 ppm2 8.107 CV 1
ASSI { 696}
((resid 86 and name HG2 ))
((resid 86 and name HA ))
2.500 0.800 0.800 peak 696 weight 0.10000E+01 volume 0.41394E-02 ppm1 2.487 ppm2 4.185 CV 1
ASSI { 697}
((resid 86 and name HG2 ))
((resid 82 and name HB2 ))
3.800 1.800 1.800 peak 697 weight 0.10000E+01 volume 0.35333E-03 ppm1 2.487 ppm2 2.894 CV 1
ASSI { 699}
((resid 86 and name HG2 ))
((resid 86 and name HG3 ))
1.600 0.300 0.600 peak 699 weight 0.10000E+01 volume 0.60414E-01 ppm1 2.489 ppm2 2.377 CV 1
ASSI { 700}
((resid 86 and name HG2 ))
((resid 86 and name HB3 ))
2.300 0.700 0.700 peak 700 weight 0.10000E+01 volume 0.61574E-02 ppm1 2.487 ppm2 2.112 CV 1
ASSI { 701}
((resid 86 and name HG2 ))
((resid 83 and name HB2 ))
3.100 1.200 1.200 peak 701 weight 0.10000E+01 volume 0.11735E-02 ppm1 2.487 ppm2 1.938 CV 1
ASSI { 702}
((resid 86 and name HG2 ))
( resid 68 and name HB% )
4.100 2.100 1.900 peak 702 weight 0.10000E+01 volume 0.22267E-03 ppm1 2.485 ppm2 1.664 CV 1
ASSI { 704}
((resid 86 and name HG2 ))
( resid 88 and name HD2%)
3.200 1.300 1.300 peak 704 weight 0.10000E+01 volume 0.89052E-03 ppm1 2.487 ppm2 0.629 CV 1
ASSI { 705}
((resid 86 and name HG2 ))
( resid 88 and name HD1%)
4.400 2.400 1.600 peak 705 weight 0.10000E+01 volume 0.13360E-03 ppm1 2.487 ppm2 0.032 CV 1
ASSI { 709}
((resid 86 and name HG3 ))
( resid 68 and name HB% )
3.800 1.800 1.800 peak 709 weight 0.10000E+01 volume 0.31529E-03 ppm1 2.370 ppm2 1.674 CV 1
ASSI { 714}
((resid 86 and name HG3 ))
((resid 82 and name HB2 ))
3.500 1.500 1.500 peak 714 weight 0.10000E+01 volume 0.52682E-03 ppm1 2.370 ppm2 2.894 CV 1
ASSI { 715}
((resid 86 and name HG3 ))
((resid 86 and name HA ))
2.600 0.800 0.800 peak 715 weight 0.10000E+01 volume 0.34962E-02 ppm1 2.368 ppm2 4.185 CV 1
ASSI { 719}
((resid 86 and name HB2 ))
((resid 83 and name HN ))
3.500 1.500 1.500 peak 719 weight 0.10000E+01 volume 0.55451E-03 ppm1 2.389 ppm2 8.977 CV 1
ASSI { 722}
((resid 86 and name HB2 ))
( resid 82 and name HD% )
4.300 2.300 1.700 peak 722 weight 0.10000E+01 volume 0.16097E-03 ppm1 2.391 ppm2 6.969 CV 1
ASSI { 726}
((resid 86 and name HB2 ))
((resid 86 and name HG2 ))
2.400 0.700 0.700 peak 726 weight 0.10000E+01 volume 0.57012E-02 ppm1 2.391 ppm2 2.464 CV 1
ASSI { 727}
((resid 86 and name HB2 ))
((resid 86 and name HG3 ))
3.600 1.000 1.000 peak 727 weight 0.10000E+01 volume 0.13742E-01 ppm1 2.388 ppm2 2.358 CV 1
ASSI { 728}
((resid 86 and name HB2 ))
((resid 86 and name HB3 ))
2.100 0.500 0.500 peak 728 weight 0.10000E+01 volume 0.12662E-01 ppm1 2.391 ppm2 2.105 CV 1
ASSI { 729}
((resid 86 and name HB2 ))
((resid 83 and name HB2 ))
3.100 1.200 1.200 peak 729 weight 0.10000E+01 volume 0.11130E-02 ppm1 2.390 ppm2 1.936 CV 1
ASSI { 731}
((resid 86 and name HB2 ))
((resid 88 and name HG ))
4.600 2.600 1.400 peak 731 weight 0.10000E+01 volume 0.10654E-03 ppm1 2.387 ppm2 1.311 CV 1
ASSI { 732}
((resid 86 and name HB2 ))
( resid 88 and name HD2%)
3.500 1.500 1.500 peak 732 weight 0.10000E+01 volume 0.55543E-03 ppm1 2.386 ppm2 0.629 CV 1
ASSI { 733}
((resid 86 and name HB2 ))
( resid 88 and name HD1%)
4.300 2.300 1.700 peak 733 weight 0.10000E+01 volume 0.15648E-03 ppm1 2.386 ppm2 0.031 CV 1
ASSI { 734}
((resid 86 and name HB3 ))
( resid 88 and name HD1%)
3.600 1.600 1.600 peak 734 weight 0.10000E+01 volume 0.45647E-03 ppm1 2.113 ppm2 0.042 CV 1
ASSI { 736}
((resid 86 and name HB3 ))
((resid 88 and name HG ))
4.800 2.800 1.200 peak 736 weight 0.10000E+01 volume 0.84273E-04 ppm1 2.113 ppm2 1.326 CV 1
ASSI { 738}
((resid 86 and name HB3 ))
((resid 83 and name HB2 ))
3.800 1.800 1.800 peak 738 weight 0.10000E+01 volume 0.34884E-03 ppm1 2.119 ppm2 1.948 CV 1
ASSI { 740}
((resid 86 and name HB3 ))
((resid 86 and name HG3 ))
1.800 0.400 0.400 peak 740 weight 0.10000E+01 volume 0.34390E-01 ppm1 2.119 ppm2 2.363 CV 1
ASSI { 742}
((resid 86 and name HB3 ))
((resid 82 and name HB2 ))
2.800 1.000 1.000 peak 742 weight 0.10000E+01 volume 0.21432E-02 ppm1 2.119 ppm2 2.894 CV 1
ASSI { 743}
((resid 86 and name HB3 ))
((resid 82 and name HB3 ))
3.400 1.400 1.400 peak 743 weight 0.10000E+01 volume 0.68532E-03 ppm1 2.119 ppm2 3.267 CV 1
ASSI { 744}
((resid 86 and name HB3 ))
((resid 86 and name HA ))
2.500 0.800 0.800 peak 744 weight 0.10000E+01 volume 0.42044E-02 ppm1 2.116 ppm2 4.171 CV 1
ASSI { 745}
((resid 86 and name HB3 ))
( resid 82 and name HD% )
3.600 1.700 1.700 peak 745 weight 0.10000E+01 volume 0.42678E-03 ppm1 2.116 ppm2 6.969 CV 1
ASSI { 748}
((resid 86 and name HB3 ))
((resid 83 and name HN ))
2.900 1.000 1.000 peak 748 weight 0.10000E+01 volume 0.18092E-02 ppm1 2.118 ppm2 8.985 CV 1
ASSI { 751}
((resid 86 and name HA ))
((resid 86 and name HB2 ))
2.500 0.800 0.800 peak 751 weight 0.10000E+01 volume 0.45925E-02 ppm1 4.190 ppm2 2.377 CV 1
ASSI { 753}
((resid 86 and name HA ))
((resid 87 and name HB2 ))
4.700 1.100 1.100 peak 753 weight 0.10000E+01 volume 0.13947E-02 ppm1 4.190 ppm2 1.963 CV 1
OR { 753}
((resid 86 and name HA ))
((resid 87 and name HB3 ))
ASSI { 754}
((resid 86 and name HA ))
( resid 68 and name HB% )
4.100 2.100 1.900 peak 754 weight 0.10000E+01 volume 0.22221E-03 ppm1 4.188 ppm2 1.674 CV 1
ASSI { 755}
((resid 86 and name HA ))
((resid 87 and name HA ))
4.100 2.100 1.900 peak 755 weight 0.10000E+01 volume 0.19793E-03 ppm1 4.190 ppm2 5.247 CV 1
ASSI { 758}
( resid 100 and name HB% )
((resid 100 and name HN ))
2.400 0.700 0.700 peak 758 weight 0.10000E+01 volume 0.52280E-02 ppm1 1.223 ppm2 9.409 CV 1
ASSI { 759}
( resid 100 and name HB% )
((resid 91 and name HN ))
3.000 1.200 1.200 peak 759 weight 0.10000E+01 volume 0.12472E-02 ppm1 1.223 ppm2 9.227 CV 1
ASSI { 762}
( resid 100 and name HB% )
((resid 92 and name HN ))
4.400 2.400 1.600 peak 762 weight 0.10000E+01 volume 0.13685E-03 ppm1 1.227 ppm2 7.666 CV 1
ASSI { 763}
( resid 100 and name HB% )
( resid 82 and name HE% )
4.500 2.600 1.500 peak 763 weight 0.10000E+01 volume 0.11674E-03 ppm1 1.227 ppm2 7.471 CV 1
ASSI { 764}
( resid 100 and name HB% )
((resid 98 and name HE3 ))
4.400 2.400 1.600 peak 764 weight 0.10000E+01 volume 0.13700E-03 ppm1 1.225 ppm2 7.206 CV 1
ASSI { 768}
( resid 100 and name HB% )
((resid 98 and name HB2 ))
3.800 1.800 1.800 peak 768 weight 0.10000E+01 volume 0.32348E-03 ppm1 1.221 ppm2 2.969 CV 1
ASSI { 769}
( resid 100 and name HB% )
((resid 90 and name HB ))
3.800 1.800 1.800 peak 769 weight 0.10000E+01 volume 0.31885E-03 ppm1 1.223 ppm2 1.965 CV 1
ASSI { 770}
( resid 100 and name HB% )
( resid 88 and name HD1%)
2.800 1.000 1.000 peak 770 weight 0.10000E+01 volume 0.21663E-02 ppm1 1.221 ppm2 0.031 CV 1
ASSI { 771}
( resid 100 and name HB% )
( resid 111 and name HD1%)
2.200 0.600 0.600 peak 771 weight 0.10000E+01 volume 0.83593E-02 ppm1 1.222 ppm2 0.453 CV 1
ASSI { 772}
( resid 100 and name HB% )
( resid 88 and name HD2%)
2.100 0.600 0.600 peak 772 weight 0.10000E+01 volume 0.11251E-01 ppm1 1.221 ppm2 0.641 CV 1
ASSI { 773}
( resid 100 and name HB% )
( resid 90 and name HD1%)
2.400 0.700 0.700 peak 773 weight 0.10000E+01 volume 0.47812E-02 ppm1 1.224 ppm2 0.732 CV 1
ASSI { 775}
((resid 89 and name HG3 ))
((resid 90 and name HN ))
3.200 1.300 1.300 peak 775 weight 0.10000E+01 volume 0.93535E-03 ppm1 1.462 ppm2 8.949 CV 1
ASSI { 777}
((resid 89 and name HG3 ))
((resid 89 and name HE ))
3.700 1.700 1.700 peak 777 weight 0.10000E+01 volume 0.38874E-03 ppm1 1.462 ppm2 7.596 CV 1
ASSI { 780}
((resid 89 and name HG3 ))
((resid 101 and name HB3 ))
3.300 1.400 1.400 peak 780 weight 0.10000E+01 volume 0.77454E-03 ppm1 1.465 ppm2 1.952 CV 1
ASSI { 781}
((resid 89 and name HG3 ))
( resid 91 and name HD2%)
3.000 1.200 1.200 peak 781 weight 0.10000E+01 volume 0.12607E-02 ppm1 1.463 ppm2 0.668 CV 1
ASSI { 782}
((resid 89 and name HG3 ))
( resid 103 and name HD2%)
3.800 1.000 2.000 peak 782 weight 0.10000E+01 volume 0.21153E-02 ppm1 1.463 ppm2 0.793 CV 1
ASSI { 787}
((resid 101 and name HA ))
((resid 108 and name HA ))
2.100 0.500 0.500 peak 787 weight 0.10000E+01 volume 0.12306E-01 ppm1 5.276 ppm2 5.687 CV 1
ASSI { 789}
((resid 101 and name HA ))
((resid 102 and name HB2 ))
3.400 1.500 1.500 peak 789 weight 0.10000E+01 volume 0.61512E-03 ppm1 5.274 ppm2 4.181 CV 1
ASSI { 790}
((resid 101 and name HA ))
((resid 108 and name HG3 ))
4.400 2.400 1.600 peak 790 weight 0.10000E+01 volume 0.14690E-03 ppm1 5.276 ppm2 2.258 CV 1
ASSI { 792}
((resid 101 and name HA ))
((resid 101 and name HB3 ))
3.000 1.100 1.100 peak 792 weight 0.10000E+01 volume 0.14393E-02 ppm1 5.274 ppm2 1.987 CV 1
ASSI { 793}
((resid 101 and name HA ))
((resid 101 and name HB2 ))
2.500 0.800 0.800 peak 793 weight 0.10000E+01 volume 0.42214E-02 ppm1 5.274 ppm2 1.714 CV 1
ASSI { 794}
((resid 101 and name HA ))
( resid 100 and name HB% )
3.700 1.700 1.700 peak 794 weight 0.10000E+01 volume 0.40992E-03 ppm1 5.279 ppm2 1.214 CV 1
ASSI { 796}
((resid 101 and name HA ))
( resid 80 and name HD2%)
2.700 0.900 0.900 peak 796 weight 0.10000E+01 volume 0.26720E-02 ppm1 5.280 ppm2 0.650 CV 1
ASSI { 797}
((resid 79 and name HA ))
((resid 80 and name HN ))
2.100 0.600 0.600 peak 797 weight 0.10000E+01 volume 0.11032E-01 ppm1 5.339 ppm2 9.098 CV 1
ASSI { 800}
((resid 79 and name HA ))
( resid 110 and name HD% )
3.900 1.900 1.900 peak 800 weight 0.10000E+01 volume 0.28931E-03 ppm1 5.341 ppm2 7.183 CV 1
ASSI { 801}
((resid 79 and name HA ))
((resid 97 and name HZ3 ))
4.200 2.200 1.800 peak 801 weight 0.10000E+01 volume 0.19158E-03 ppm1 5.341 ppm2 6.720 CV 1
ASSI { 806}
((resid 79 and name HA ))
((resid 109 and name HA1 ))
3.300 1.300 1.300 peak 806 weight 0.10000E+01 volume 0.81815E-03 ppm1 5.340 ppm2 3.924 CV 1
ASSI { 808}
((resid 79 and name HA ))
((resid 79 and name HB3 ))
2.600 0.800 0.800 peak 808 weight 0.10000E+01 volume 0.34328E-02 ppm1 5.340 ppm2 2.993 CV 1
ASSI { 809}
((resid 79 and name HA ))
((resid 79 and name HB2 ))
2.500 0.800 0.800 peak 809 weight 0.10000E+01 volume 0.43869E-02 ppm1 5.340 ppm2 2.909 CV 1
ASSI { 810}
((resid 79 and name HA ))
((resid 80 and name HB2 ))
4.300 2.300 1.700 peak 810 weight 0.10000E+01 volume 0.16855E-03 ppm1 5.340 ppm2 0.727 CV 1
ASSI { 811}
((resid 79 and name HA ))
( resid 111 and name HG2%)
4.100 2.100 1.900 peak 811 weight 0.10000E+01 volume 0.20426E-03 ppm1 5.340 ppm2 1.116 CV 1
ASSI { 812}
((resid 79 and name HA ))
((resid 80 and name HB3 ))
3.200 1.300 1.300 peak 812 weight 0.10000E+01 volume 0.99334E-03 ppm1 5.336 ppm2 1.760 CV 1
ASSI { 815}
((resid 65 and name HA ))
((resid 89 and name HN ))
4.000 2.000 2.000 peak 815 weight 0.10000E+01 volume 0.25034E-03 ppm1 5.191 ppm2 8.770 CV 1
ASSI { 818}
((resid 65 and name HA ))
((resid 118 and name HA ))
3.900 1.900 1.900 peak 818 weight 0.10000E+01 volume 0.29364E-03 ppm1 5.191 ppm2 4.279 CV 1
ASSI { 824}
((resid 65 and name HA ))
( resid 66 and name HG2%)
3.200 1.300 1.300 peak 824 weight 0.10000E+01 volume 0.96799E-03 ppm1 5.192 ppm2 0.590 CV 1
ASSI { 828}
((resid 65 and name HG ))
((resid 64 and name HN ))
3.900 1.900 1.900 peak 828 weight 0.10000E+01 volume 0.27849E-03 ppm1 1.528 ppm2 8.518 CV 1
ASSI { 830}
((resid 65 and name HG ))
((resid 65 and name HA ))
2.900 1.000 1.000 peak 830 weight 0.10000E+01 volume 0.17907E-02 ppm1 1.524 ppm2 5.181 CV 1
ASSI { 834}
((resid 65 and name HG ))
( resid 65 and name HD2%)
2.800 1.000 1.000 peak 834 weight 0.10000E+01 volume 0.22406E-02 ppm1 1.526 ppm2 0.867 CV 1
ASSI { 844}
((resid 97 and name HA ))
((resid 111 and name HN ))
3.700 1.700 1.700 peak 844 weight 0.10000E+01 volume 0.41781E-03 ppm1 5.229 ppm2 9.568 CV 1
ASSI { 845}
((resid 97 and name HA ))
((resid 98 and name HN ))
1.900 0.500 0.500 peak 845 weight 0.10000E+01 volume 0.18448E-01 ppm1 5.229 ppm2 9.008 CV 1
ASSI { 847}
((resid 97 and name HA ))
((resid 113 and name HN ))
3.100 1.200 1.200 peak 847 weight 0.10000E+01 volume 0.11365E-02 ppm1 5.228 ppm2 7.540 CV 1
ASSI { 848}
((resid 97 and name HA ))
((resid 97 and name HE3 ))
2.600 0.800 0.800 peak 848 weight 0.10000E+01 volume 0.33184E-02 ppm1 5.228 ppm2 7.150 CV 1
ASSI { 849}
((resid 97 and name HA ))
((resid 98 and name HD1 ))
3.900 1.900 1.900 peak 849 weight 0.10000E+01 volume 0.29024E-03 ppm1 5.227 ppm2 6.878 CV 1
ASSI { 851}
((resid 97 and name HA ))
((resid 112 and name HA ))
2.900 1.000 1.000 peak 851 weight 0.10000E+01 volume 0.18292E-02 ppm1 5.227 ppm2 3.653 CV 1
ASSI { 852}
((resid 97 and name HA ))
((resid 97 and name HB3 ))
2.200 0.600 0.600 peak 852 weight 0.10000E+01 volume 0.10008E-01 ppm1 5.227 ppm2 2.944 CV 1
ASSI { 854}
((resid 87 and name HA ))
((resid 68 and name HN ))
3.300 1.400 1.400 peak 854 weight 0.10000E+01 volume 0.78923E-03 ppm1 5.239 ppm2 8.543 CV 1
ASSI { 860}
((resid 87 and name HA ))
((resid 87 and name HB3 ))
2.700 0.900 0.900 peak 860 weight 0.10000E+01 volume 0.23195E-02 ppm1 5.238 ppm2 2.091 CV 1
ASSI { 861}
((resid 87 and name HA ))
((resid 87 and name HB2 ))
2.300 0.700 0.700 peak 861 weight 0.10000E+01 volume 0.63738E-02 ppm1 5.238 ppm2 2.003 CV 1
ASSI { 862}
((resid 87 and name HA ))
((resid 67 and name HG13))
3.400 1.400 1.400 peak 862 weight 0.10000E+01 volume 0.64110E-03 ppm1 5.238 ppm2 1.331 CV 1
ASSI { 864}
((resid 87 and name HA ))
( resid 66 and name HG2%)
3.900 1.900 1.900 peak 864 weight 0.10000E+01 volume 0.28498E-03 ppm1 5.238 ppm2 0.609 CV 1
ASSI { 867}
((resid 87 and name HA ))
((resid 67 and name HB ))
3.800 1.800 1.800 peak 867 weight 0.10000E+01 volume 0.31158E-03 ppm1 5.241 ppm2 1.557 CV 1
ASSI { 870}
((resid 65 and name HB3 ))
((resid 65 and name HA ))
2.500 0.800 0.800 peak 870 weight 0.10000E+01 volume 0.43513E-02 ppm1 1.389 ppm2 5.185 CV 1
ASSI { 871}
((resid 65 and name HB3 ))
((resid 65 and name HB2 ))
1.800 0.400 0.400 peak 871 weight 0.10000E+01 volume 0.32565E-01 ppm1 1.389 ppm2 1.672 CV 1
ASSI { 873}
((resid 65 and name HB3 ))
( resid 65 and name HD2%)
2.700 0.900 0.900 peak 873 weight 0.10000E+01 volume 0.28498E-02 ppm1 1.393 ppm2 0.835 CV 1
ASSI { 874}
((resid 65 and name HB3 ))
( resid 65 and name HD1%)
2.400 0.700 0.700 peak 874 weight 0.10000E+01 volume 0.51476E-02 ppm1 1.390 ppm2 0.768 CV 1
ASSI { 875}
((resid 65 and name HB3 ))
((resid 65 and name HG ))
2.000 0.500 0.500 peak 875 weight 0.10000E+01 volume 0.15285E-01 ppm1 1.390 ppm2 1.515 CV 1
ASSI { 878}
((resid 116 and name HA ))
((resid 116 and name HN ))
3.600 1.600 1.600 peak 878 weight 0.10000E+01 volume 0.48244E-03 ppm1 5.251 ppm2 7.017 CV 1
ASSI { 887}
((resid 116 and name HA ))
((resid 66 and name HB ))
3.700 1.700 1.700 peak 887 weight 0.10000E+01 volume 0.40049E-03 ppm1 5.249 ppm2 2.018 CV 1
ASSI { 888}
((resid 116 and name HA ))
( resid 68 and name HB% )
3.800 1.800 1.800 peak 888 weight 0.10000E+01 volume 0.34761E-03 ppm1 5.253 ppm2 1.679 CV 1
ASSI { 892}
((resid 111 and name HA ))
((resid 111 and name HN ))
2.800 1.000 1.000 peak 892 weight 0.10000E+01 volume 0.20875E-02 ppm1 5.186 ppm2 9.573 CV 1
ASSI { 893}
((resid 111 and name HA ))
((resid 80 and name HN ))
4.300 2.300 1.700 peak 893 weight 0.10000E+01 volume 0.16716E-03 ppm1 5.186 ppm2 9.100 CV 1
ASSI { 894}
((resid 111 and name HA ))
( resid 82 and name HE% )
2.900 1.100 1.100 peak 894 weight 0.10000E+01 volume 0.16190E-02 ppm1 5.187 ppm2 7.478 CV 1
ASSI { 895}
((resid 111 and name HA ))
((resid 97 and name HE3 ))
3.400 1.400 1.400 peak 895 weight 0.10000E+01 volume 0.63924E-03 ppm1 5.187 ppm2 7.149 CV 1
ASSI { 896}
((resid 111 and name HA ))
( resid 72 and name HD% )
6.0 1.600 1.600 peak 896 weight 0.10000E+01 volume 0.51801E-03 ppm1 5.187 ppm2 7.062 CV 1
ASSI { 897}
((resid 111 and name HA ))
((resid 97 and name HZ3 ))
2.800 1.000 1.000 peak 897 weight 0.10000E+01 volume 0.20875E-02 ppm1 5.187 ppm2 6.733 CV 1
ASSI { 899}
((resid 111 and name HA ))
((resid 112 and name HD2 ))
1.900 0.500 0.500 peak 899 weight 0.10000E+01 volume 0.18463E-01 ppm1 5.186 ppm2 2.798 CV 1
ASSI { 900}
((resid 111 and name HA ))
((resid 111 and name HB ))
2.200 0.600 0.600 peak 900 weight 0.10000E+01 volume 0.77964E-02 ppm1 5.186 ppm2 1.660 CV 1
ASSI { 901}
((resid 111 and name HA ))
((resid 111 and name HG13))
3.100 1.200 1.200 peak 901 weight 0.10000E+01 volume 0.10283E-02 ppm1 5.186 ppm2 1.397 CV 1
ASSI { 902}
((resid 111 and name HA ))
( resid 111 and name HG2%)
2.300 0.600 0.600 peak 902 weight 0.10000E+01 volume 0.76881E-02 ppm1 5.185 ppm2 1.112 CV 1
ASSI { 904}
((resid 111 and name HA ))
((resid 111 and name HG12))
3.100 1.200 1.200 peak 904 weight 0.10000E+01 volume 0.10237E-02 ppm1 5.187 ppm2 1.006 CV 1
ASSI { 905}
((resid 111 and name HA ))
((resid 112 and name HG3 ))
3.100 1.200 1.200 peak 905 weight 0.10000E+01 volume 0.11898E-02 ppm1 5.187 ppm2 0.598 CV 1
ASSI { 917}
((resid 88 and name HA ))
((resid 103 and name HN ))
2.600 0.900 0.900 peak 917 weight 0.10000E+01 volume 0.31328E-02 ppm1 5.035 ppm2 8.867 CV 1
ASSI { 918}
((resid 88 and name HA ))
((resid 101 and name HN ))
3.100 1.200 1.200 peak 918 weight 0.10000E+01 volume 0.12217E-02 ppm1 5.033 ppm2 8.975 CV 1
ASSI { 920}
((resid 88 and name HA ))
( resid 88 and name HD1%)
3.700 1.700 1.700 peak 920 weight 0.10000E+01 volume 0.38935E-03 ppm1 5.032 ppm2 0.045 CV 1
ASSI { 921}
((resid 88 and name HA ))
( resid 88 and name HD2%)
2.400 0.700 0.700 peak 921 weight 0.10000E+01 volume 0.58497E-02 ppm1 5.033 ppm2 0.628 CV 1
ASSI { 922}
((resid 88 and name HA ))
( resid 103 and name HD1%)
2.900 1.000 1.000 peak 922 weight 0.10000E+01 volume 0.18107E-02 ppm1 5.035 ppm2 0.826 CV 1
ASSI { 923}
((resid 88 and name HA ))
((resid 88 and name HB3 ))
2.200 0.600 0.600 peak 923 weight 0.10000E+01 volume 0.87876E-02 ppm1 5.033 ppm2 1.099 CV 1
ASSI { 924}
((resid 88 and name HA ))
((resid 88 and name HB2 ))
3.000 1.100 1.100 peak 924 weight 0.10000E+01 volume 0.14847E-02 ppm1 5.033 ppm2 1.178 CV 1
ASSI { 925}
((resid 88 and name HA ))
((resid 88 and name HG ))
2.900 1.000 1.000 peak 925 weight 0.10000E+01 volume 0.17828E-02 ppm1 5.036 ppm2 1.323 CV 1
ASSI { 926}
((resid 88 and name HA ))
((resid 103 and name HG ))
3.100 1.200 1.200 peak 926 weight 0.10000E+01 volume 0.11579E-02 ppm1 5.035 ppm2 1.699 CV 1
ASSI { 928}
((resid 89 and name HA ))
((resid 89 and name HN ))
2.800 1.000 1.000 peak 928 weight 0.10000E+01 volume 0.22298E-02 ppm1 4.994 ppm2 8.756 CV 1
ASSI { 929}
((resid 89 and name HA ))
((resid 65 and name HA ))
2.300 0.700 0.700 peak 929 weight 0.10000E+01 volume 0.68099E-02 ppm1 4.996 ppm2 5.190 CV 1
ASSI { 931}
((resid 89 and name HA ))
( resid 65 and name HD1%)
2.300 0.600 0.600 peak 931 weight 0.10000E+01 volume 0.71655E-02 ppm1 4.994 ppm2 0.773 CV 1
ASSI { 932}
((resid 89 and name HA ))
((resid 89 and name HG2 ))
2.800 1.000 1.000 peak 932 weight 0.10000E+01 volume 0.20256E-02 ppm1 4.996 ppm2 1.278 CV 1
ASSI { 933}
((resid 89 and name HA ))
((resid 89 and name HG3 ))
2.600 0.900 0.900 peak 933 weight 0.10000E+01 volume 0.29179E-02 ppm1 4.996 ppm2 1.449 CV 1
ASSI { 934}
((resid 89 and name HA ))
((resid 89 and name HB2 ))
2.700 0.900 0.900 peak 934 weight 0.10000E+01 volume 0.25792E-02 ppm1 4.994 ppm2 1.584 CV 1
ASSI { 935}
((resid 89 and name HA ))
((resid 65 and name HB2 ))
2.600 0.900 0.900 peak 935 weight 0.10000E+01 volume 0.30122E-02 ppm1 4.994 ppm2 1.652 CV 1
ASSI { 936}
((resid 89 and name HA ))
( resid 66 and name HG2%)
3.400 1.500 1.500 peak 936 weight 0.10000E+01 volume 0.59919E-03 ppm1 4.993 ppm2 0.581 CV 1
ASSI { 937}
((resid 89 and name HA ))
((resid 66 and name HN ))
2.700 0.900 0.900 peak 937 weight 0.10000E+01 volume 0.24447E-02 ppm1 4.993 ppm2 9.048 CV 1
ASSI { 940}
((resid 82 and name HA ))
( resid 82 and name HD% )
3.100 1.200 1.200 peak 940 weight 0.10000E+01 volume 0.11197E-02 ppm1 5.030 ppm2 6.978 CV 1
ASSI { 942}
((resid 82 and name HA ))
((resid 82 and name HB3 ))
2.100 0.600 0.600 peak 942 weight 0.10000E+01 volume 0.11457E-01 ppm1 5.026 ppm2 3.271 CV 1
ASSI { 943}
((resid 82 and name HA ))
((resid 82 and name HB2 ))
2.200 0.600 0.600 peak 943 weight 0.10000E+01 volume 0.89731E-02 ppm1 5.028 ppm2 2.895 CV 1
ASSI { 944}
((resid 82 and name HA ))
((resid 86 and name HG3 ))
3.100 1.200 1.200 peak 944 weight 0.10000E+01 volume 0.10453E-02 ppm1 5.026 ppm2 2.369 CV 1
ASSI { 945}
((resid 82 and name HA ))
((resid 86 and name HB2 ))
3.700 1.700 1.700 peak 945 weight 0.10000E+01 volume 0.40946E-03 ppm1 5.028 ppm2 2.113 CV 1
ASSI { 946}
((resid 82 and name HA ))
( resid 88 and name HD2%)
3.600 1.600 1.600 peak 946 weight 0.10000E+01 volume 0.46018E-03 ppm1 5.017 ppm2 0.640 CV 1
ASSI { 952}
((resid 66 and name HA ))
((resid 118 and name HA ))
2.900 1.100 1.100 peak 952 weight 0.10000E+01 volume 0.16190E-02 ppm1 4.935 ppm2 4.266 CV 1
ASSI { 953}
((resid 66 and name HA ))
((resid 66 and name HB ))
2.400 0.700 0.700 peak 953 weight 0.10000E+01 volume 0.55914E-02 ppm1 4.939 ppm2 2.013 CV 1
ASSI { 954}
((resid 66 and name HA ))
( resid 66 and name HG1%)
2.400 0.700 0.700 peak 954 weight 0.10000E+01 volume 0.57445E-02 ppm1 4.939 ppm2 0.785 CV 1
ASSI { 955}
((resid 66 and name HA ))
( resid 66 and name HG2%)
3.200 1.200 1.200 peak 955 weight 0.10000E+01 volume 0.10055E-02 ppm1 4.942 ppm2 0.585 CV 1
ASSI { 956}
((resid 67 and name HA ))
((resid 67 and name HN ))
3.200 1.300 1.300 peak 956 weight 0.10000E+01 volume 0.90056E-03 ppm1 4.910 ppm2 8.973 CV 1
ASSI { 959}
((resid 67 and name HA ))
((resid 87 and name HA ))
2.500 0.800 0.800 peak 959 weight 0.10000E+01 volume 0.38689E-02 ppm1 4.909 ppm2 5.238 CV 1
ASSI { 961}
((resid 67 and name HA ))
( resid 67 and name HG2%)
2.700 0.900 0.900 peak 961 weight 0.10000E+01 volume 0.25684E-02 ppm1 4.907 ppm2 0.778 CV 1
ASSI { 962}
((resid 67 and name HA ))
((resid 67 and name HG12))
3.600 1.600 1.600 peak 962 weight 0.10000E+01 volume 0.49667E-03 ppm1 4.905 ppm2 1.038 CV 1
ASSI { 963}
((resid 67 and name HA ))
((resid 67 and name HG13))
3.000 1.100 1.100 peak 963 weight 0.10000E+01 volume 0.13399E-02 ppm1 4.905 ppm2 1.342 CV 1
ASSI { 964}
((resid 67 and name HA ))
((resid 67 and name HB ))
2.900 1.000 1.000 peak 964 weight 0.10000E+01 volume 0.17041E-02 ppm1 4.907 ppm2 1.561 CV 1
ASSI { 965}
((resid 67 and name HA ))
( resid 68 and name HB% )
3.200 1.300 1.300 peak 965 weight 0.10000E+01 volume 0.85494E-03 ppm1 4.905 ppm2 1.674 CV 1
ASSI { 966}
((resid 67 and name HA ))
((resid 87 and name HB2 ))
4.000 2.000 2.000 peak 966 weight 0.10000E+01 volume 0.23303E-03 ppm1 4.909 ppm2 1.987 CV 1
ASSI { 967}
((resid 67 and name HA ))
((resid 87 and name HG2 ))
3.900 1.900 1.900 peak 967 weight 0.10000E+01 volume 0.28823E-03 ppm1 4.905 ppm2 2.102 CV 1
ASSI { 970}
((resid 73 and name HA ))
((resid 74 and name HD2 ))
2.100 0.500 0.500 peak 970 weight 0.10000E+01 volume 0.11849E-01 ppm1 4.515 ppm2 3.536 CV 1
ASSI { 972}
((resid 73 and name HA ))
((resid 73 and name HB3 ))
2.700 0.900 0.900 peak 972 weight 0.10000E+01 volume 0.25870E-02 ppm1 4.514 ppm2 1.707 CV 1
ASSI { 973}
((resid 73 and name HA ))
((resid 73 and name HG3 ))
2.800 1.000 1.000 peak 973 weight 0.10000E+01 volume 0.21756E-02 ppm1 4.514 ppm2 2.042 CV 1
ASSI { 976}
((resid 68 and name HA ))
((resid 70 and name HN ))
3.300 1.300 1.300 peak 976 weight 0.10000E+01 volume 0.82309E-03 ppm1 4.552 ppm2 7.509 CV 1
ASSI { 977}
((resid 68 and name HA ))
((resid 116 and name HA ))
2.900 1.000 1.000 peak 977 weight 0.10000E+01 volume 0.17736E-02 ppm1 4.552 ppm2 5.241 CV 1
ASSI { 979}
((resid 68 and name HA ))
( resid 68 and name HB% )
2.400 0.700 0.700 peak 979 weight 0.10000E+01 volume 0.53533E-02 ppm1 4.550 ppm2 1.672 CV 1
ASSI { 981}
((resid 119 and name HA ))
((resid 67 and name HN ))
4.100 2.100 1.900 peak 981 weight 0.10000E+01 volume 0.21463E-03 ppm1 4.272 ppm2 8.978 CV 1
ASSI { 982}
((resid 119 and name HA ))
((resid 119 and name HN ))
2.600 0.900 0.900 peak 982 weight 0.10000E+01 volume 0.29999E-02 ppm1 4.274 ppm2 8.358 CV 1
ASSI { 987}
((resid 119 and name HA ))
( resid 119 and name HB% )
2.500 0.800 0.800 peak 987 weight 0.10000E+01 volume 0.42631E-02 ppm1 4.274 ppm2 1.248 CV 1
ASSI { 989}
((resid 119 and name HA ))
( resid 67 and name HG2%)
2.600 0.800 0.800 peak 989 weight 0.10000E+01 volume 0.31746E-02 ppm1 4.272 ppm2 0.783 CV 1
ASSI { 994}
((resid 114 and name HA ))
((resid 114 and name HN ))
2.400 0.700 0.700 peak 994 weight 0.10000E+01 volume 0.46590E-02 ppm1 3.993 ppm2 7.217 CV 1
ASSI { 995}
((resid 114 and name HA ))
((resid 115 and name HN ))
2.900 1.000 1.000 peak 995 weight 0.10000E+01 volume 0.17705E-02 ppm1 3.989 ppm2 7.646 CV 1
ASSI { 996}
((resid 114 and name HA ))
((resid 116 and name HN ))
3.000 1.100 1.100 peak 996 weight 0.10000E+01 volume 0.15086E-02 ppm1 3.993 ppm2 7.018 CV 1
ASSI { 997}
((resid 114 and name HA ))
( resid 113 and name HD% )
3.500 1.600 1.600 peak 997 weight 0.10000E+01 volume 0.50363E-03 ppm1 3.991 ppm2 6.905 CV 1
ASSI { 998}
((resid 114 and name HA ))
((resid 114 and name HD22))
5.300 3.500 0.700 peak 998 weight 0.10000E+01 volume 0.44069E-04 ppm1 3.987 ppm2 6.506 CV 1
ASSI { 999}
((resid 114 and name HA ))
( resid 116 and name HG2%)
3.400 1.400 1.400 peak 999 weight 0.10000E+01 volume 0.64326E-03 ppm1 3.990 ppm2 0.679 CV 1
ASSI { 1000}
((resid 114 and name HA ))
((resid 114 and name HB2 ))
2.100 0.600 0.600 peak 1000 weight 0.10000E+01 volume 0.10272E-01 ppm1 3.989 ppm2 1.425 CV 1
ASSI { 1001}
((resid 114 and name HA ))
((resid 114 and name HB3 ))
2.100 0.600 0.600 peak 1001 weight 0.10000E+01 volume 0.11602E-01 ppm1 3.990 ppm2 2.511 CV 1
ASSI { 1004}
((resid 93 and name HA ))
((resid 98 and name HE1 ))
3.600 1.600 1.600 peak 1004 weight 0.10000E+01 volume 0.46466E-03 ppm1 3.592 ppm2 9.521 CV 1
ASSI { 1005}
((resid 93 and name HA ))
((resid 99 and name HN ))
3.400 1.500 1.500 peak 1005 weight 0.10000E+01 volume 0.59594E-03 ppm1 3.593 ppm2 8.713 CV 1
ASSI { 1008}
((resid 93 and name HA ))
((resid 98 and name HE3 ))
3.800 1.800 1.800 peak 1008 weight 0.10000E+01 volume 0.31003E-03 ppm1 3.590 ppm2 7.217 CV 1
ASSI { 1009}
((resid 93 and name HA ))
((resid 98 and name HD1 ))
2.700 0.900 0.900 peak 1009 weight 0.10000E+01 volume 0.26164E-02 ppm1 3.590 ppm2 6.879 CV 1
ASSI { 1011}
((resid 93 and name HA ))
((resid 98 and name HB3 ))
3.200 1.300 1.300 peak 1011 weight 0.10000E+01 volume 0.97324E-03 ppm1 3.589 ppm2 3.324 CV 1
ASSI { 1014}
((resid 93 and name HA ))
((resid 92 and name HA ))
3.700 1.700 1.700 peak 1014 weight 0.10000E+01 volume 0.38225E-03 ppm1 3.586 ppm2 4.289 CV 1
ASSI { 1015}
((resid 93 and name HA ))
( resid 90 and name HG2%)
3.000 1.100 1.100 peak 1015 weight 0.10000E+01 volume 0.13108E-02 ppm1 3.591 ppm2 0.546 CV 1
ASSI { 1016}
((resid 93 and name HA ))
((resid 93 and name HG3 ))
2.700 0.900 0.900 peak 1016 weight 0.10000E+01 volume 0.27911E-02 ppm1 3.591 ppm2 0.796 CV 1
ASSI { 1017}
((resid 93 and name HA ))
((resid 93 and name HB2 ))
2.300 0.600 0.600 peak 1017 weight 0.10000E+01 volume 0.71362E-02 ppm1 3.590 ppm2 0.962 CV 1
ASSI { 1018}
((resid 93 and name HA ))
((resid 93 and name HB3 ))
2.500 0.800 0.800 peak 1018 weight 0.10000E+01 volume 0.42539E-02 ppm1 3.593 ppm2 1.142 CV 1
ASSI { 1019}
((resid 96 and name HA ))
((resid 98 and name HE1 ))
3.200 1.300 1.300 peak 1019 weight 0.10000E+01 volume 0.86221E-03 ppm1 3.786 ppm2 9.516 CV 1
ASSI { 1020}
((resid 96 and name HA ))
((resid 96 and name HN ))
3.100 1.200 1.200 peak 1020 weight 0.10000E+01 volume 0.11229E-02 ppm1 3.786 ppm2 8.630 CV 1
ASSI { 1022}
((resid 96 and name HA ))
((resid 113 and name HN ))
3.600 1.600 1.600 peak 1022 weight 0.10000E+01 volume 0.45430E-03 ppm1 3.786 ppm2 7.532 CV 1
ASSI { 1024}
((resid 96 and name HA ))
( resid 113 and name HD% )
2.400 0.700 0.700 peak 1024 weight 0.10000E+01 volume 0.46868E-02 ppm1 3.788 ppm2 6.895 CV 1
ASSI { 1025}
((resid 96 and name HA ))
((resid 113 and name HB2 ))
3.400 1.400 1.400 peak 1025 weight 0.10000E+01 volume 0.64403E-03 ppm1 3.789 ppm2 1.067 CV 1
ASSI { 1026}
((resid 96 and name HA ))
((resid 113 and name HB3 ))
2.800 1.000 1.000 peak 1026 weight 0.10000E+01 volume 0.20767E-02 ppm1 3.789 ppm2 1.484 CV 1
ASSI { 1027}
((resid 96 and name HA ))
((resid 96 and name HB3 ))
2.400 0.700 0.700 peak 1027 weight 0.10000E+01 volume 0.57121E-02 ppm1 3.789 ppm2 1.709 CV 1
ASSI { 1028}
((resid 96 and name HA ))
((resid 96 and name HG3 ))
2.200 0.600 0.600 peak 1028 weight 0.10000E+01 volume 0.92808E-02 ppm1 3.787 ppm2 1.842 CV 1
ASSI { 1029}
((resid 96 and name HA ))
((resid 96 and name HG2 ))
2.600 0.900 0.900 peak 1029 weight 0.10000E+01 volume 0.31606E-02 ppm1 3.789 ppm2 1.959 CV 1
ASSI { 1031}
((resid 112 and name HA ))
((resid 98 and name HN ))
3.900 1.900 1.900 peak 1031 weight 0.10000E+01 volume 0.29859E-03 ppm1 3.660 ppm2 9.010 CV 1
ASSI { 1032}
((resid 112 and name HA ))
((resid 113 and name HN ))
2.000 0.500 0.500 peak 1032 weight 0.10000E+01 volume 0.13614E-01 ppm1 3.660 ppm2 7.532 CV 1
ASSI { 1033}
((resid 112 and name HA ))
((resid 114 and name HN ))
3.300 1.400 1.400 peak 1033 weight 0.10000E+01 volume 0.72196E-03 ppm1 3.660 ppm2 7.228 CV 1
ASSI { 1034}
((resid 112 and name HA ))
((resid 97 and name HE3 ))
3.400 1.500 1.500 peak 1034 weight 0.10000E+01 volume 0.61712E-03 ppm1 3.662 ppm2 7.152 CV 1
ASSI { 1035}
((resid 112 and name HA ))
( resid 113 and name HD% )
4.000 2.000 2.000 peak 1035 weight 0.10000E+01 volume 0.26102E-03 ppm1 3.660 ppm2 6.907 CV 1
ASSI { 1036}
((resid 112 and name HA ))
((resid 97 and name HZ3 ))
3.900 1.900 1.900 peak 1036 weight 0.10000E+01 volume 0.27709E-03 ppm1 3.658 ppm2 6.746 CV 1
ASSI { 1041}
((resid 112 and name HA ))
((resid 112 and name HG3 ))
2.900 1.000 1.000 peak 1041 weight 0.10000E+01 volume 0.18308E-02 ppm1 3.661 ppm2 0.592 CV 1
ASSI { 1042}
((resid 112 and name HA ))
((resid 112 and name HB3 ))
2.400 0.700 0.700 peak 1042 weight 0.10000E+01 volume 0.49049E-02 ppm1 3.661 ppm2 1.107 CV 1
ASSI { 1043}
((resid 112 and name HA ))
((resid 112 and name HB2 ))
2.800 1.000 1.000 peak 1043 weight 0.10000E+01 volume 0.21571E-02 ppm1 3.664 ppm2 1.219 CV 1
ASSI { 1044}
((resid 112 and name HA ))
((resid 113 and name HB3 ))
3.600 1.600 1.600 peak 1044 weight 0.10000E+01 volume 0.49651E-03 ppm1 3.661 ppm2 1.478 CV 1
ASSI { 1046}
((resid 84 and name HA ))
((resid 68 and name HN ))
5.800 2.200 1.000 peak 1046 weight 0.10000E+01 volume 0.18942E-03 ppm1 3.362 ppm2 8.536 CV 1
ASSI { 1049}
((resid 84 and name HA ))
((resid 70 and name HN ))
3.400 1.400 1.400 peak 1049 weight 0.10000E+01 volume 0.70496E-03 ppm1 3.362 ppm2 7.515 CV 1
ASSI { 1050}
((resid 84 and name HA ))
( resid 82 and name HD% )
4.100 2.100 1.900 peak 1050 weight 0.10000E+01 volume 0.21679E-03 ppm1 3.364 ppm2 6.975 CV 1
ASSI { 1051}
((resid 84 and name HA ))
( resid 67 and name HG2%)
4.000 2.000 2.000 peak 1051 weight 0.10000E+01 volume 0.22993E-03 ppm1 3.365 ppm2 0.776 CV 1
ASSI { 1052}
((resid 84 and name HA ))
((resid 84 and name HG2 ))
2.400 0.700 0.700 peak 1052 weight 0.10000E+01 volume 0.49822E-02 ppm1 3.363 ppm2 1.074 CV 1
ASSI { 1053}
((resid 84 and name HA ))
((resid 84 and name HG3 ))
2.600 0.900 0.900 peak 1053 weight 0.10000E+01 volume 0.30755E-02 ppm1 3.367 ppm2 1.187 CV 1
ASSI { 1054}
((resid 84 and name HA ))
((resid 84 and name HB2 ))
2.100 0.600 0.600 peak 1054 weight 0.10000E+01 volume 0.10622E-01 ppm1 3.363 ppm2 1.650 CV 1
ASSI { 1056}
((resid 84 and name HA ))
((resid 69 and name HA ))
3.800 1.800 1.800 peak 1056 weight 0.10000E+01 volume 0.31436E-03 ppm1 3.363 ppm2 4.074 CV 1
ASSI { 1058}
((resid 84 and name HA ))
((resid 85 and name HA1 ))
3.800 1.800 1.800 peak 1058 weight 0.10000E+01 volume 0.35797E-03 ppm1 3.365 ppm2 4.357 CV 1
ASSI { 1059}
((resid 113 and name HA ))
((resid 98 and name HE1 ))
4.000 2.000 2.000 peak 1059 weight 0.10000E+01 volume 0.24493E-03 ppm1 2.835 ppm2 9.516 CV 1
ASSI { 1060}
((resid 113 and name HA ))
((resid 98 and name HN ))
4.300 2.300 1.700 peak 1060 weight 0.10000E+01 volume 0.16437E-03 ppm1 2.838 ppm2 9.018 CV 1
ASSI { 1061}
((resid 113 and name HA ))
((resid 115 and name HN ))
3.400 1.500 1.500 peak 1061 weight 0.10000E+01 volume 0.62378E-03 ppm1 2.838 ppm2 7.638 CV 1
ASSI { 1062}
((resid 113 and name HA ))
((resid 113 and name HN ))
2.600 0.800 0.800 peak 1062 weight 0.10000E+01 volume 0.35225E-02 ppm1 2.838 ppm2 7.537 CV 1
ASSI { 1063}
((resid 113 and name HA ))
((resid 114 and name HN ))
3.100 1.200 1.200 peak 1063 weight 0.10000E+01 volume 0.10221E-02 ppm1 2.838 ppm2 7.211 CV 1
ASSI { 1064}
((resid 113 and name HA ))
((resid 116 and name HN ))
4.100 2.100 1.900 peak 1064 weight 0.10000E+01 volume 0.21509E-03 ppm1 2.838 ppm2 7.001 CV 1
ASSI { 1065}
((resid 113 and name HA ))
( resid 113 and name HD% )
3.300 1.400 1.400 peak 1065 weight 0.10000E+01 volume 0.77330E-03 ppm1 2.835 ppm2 6.890 CV 1
ASSI { 1066}
((resid 113 and name HA ))
( resid 111 and name HD1%)
3.900 1.900 1.900 peak 1066 weight 0.10000E+01 volume 0.27462E-03 ppm1 2.837 ppm2 0.447 CV 1
ASSI { 1067}
((resid 113 and name HA ))
( resid 116 and name HG2%)
2.700 0.900 0.900 peak 1067 weight 0.10000E+01 volume 0.23983E-02 ppm1 2.839 ppm2 0.678 CV 1
ASSI { 1068}
((resid 113 and name HA ))
((resid 113 and name HB2 ))
2.200 0.600 0.600 peak 1068 weight 0.10000E+01 volume 0.79712E-02 ppm1 2.837 ppm2 1.079 CV 1
ASSI { 1069}
((resid 113 and name HA ))
((resid 113 and name HB3 ))
2.600 0.800 0.800 peak 1069 weight 0.10000E+01 volume 0.35054E-02 ppm1 2.839 ppm2 1.479 CV 1
ASSI { 1071}
((resid 113 and name HA ))
((resid 112 and name HA ))
3.600 1.600 1.600 peak 1071 weight 0.10000E+01 volume 0.44146E-03 ppm1 2.837 ppm2 3.647 CV 1
ASSI { 1076}
((resid 104 and name HA ))
((resid 104 and name HB ))
3.200 0.500 0.500 peak 1076 weight 0.10000E+01 volume 0.13100E-01 ppm1 4.286 ppm2 4.093 CV 1
ASSI { 1078}
((resid 104 and name HA ))
((resid 103 and name HB3 ))
3.400 1.400 1.400 peak 1078 weight 0.10000E+01 volume 0.64434E-03 ppm1 4.290 ppm2 1.726 CV 1
ASSI { 1081}
((resid 71 and name HB3 ))
((resid 72 and name HN ))
2.700 0.900 0.900 peak 1081 weight 0.10000E+01 volume 0.24663E-02 ppm1 4.097 ppm2 8.501 CV 1
ASSI { 1085}
((resid 71 and name HB3 ))
((resid 71 and name HB2 ))
1.700 0.400 0.500 peak 1085 weight 0.10000E+01 volume 0.43992E-01 ppm1 4.094 ppm2 3.903 CV 1
ASSI { 1086}
((resid 71 and name HB3 ))
((resid 72 and name HA ))
3.600 1.600 1.600 peak 1086 weight 0.10000E+01 volume 0.47409E-03 ppm1 4.099 ppm2 4.626 CV 1
ASSI { 1087}
((resid 71 and name HB3 ))
((resid 84 and name HB2 ))
3.600 1.600 1.600 peak 1087 weight 0.10000E+01 volume 0.48708E-03 ppm1 4.100 ppm2 1.652 CV 1
ASSI { 1088}
((resid 118 and name HD2 ))
((resid 118 and name HN ))
3.000 1.100 1.100 peak 1088 weight 0.10000E+01 volume 0.13357E-02 ppm1 1.557 ppm2 8.619 CV 1
ASSI { 1089}
((resid 118 and name HD3 ))
((resid 118 and name HN ))
3.400 1.500 1.500 peak 1089 weight 0.10000E+01 volume 0.63367E-03 ppm1 1.605 ppm2 8.622 CV 1
ASSI { 1090}
((resid 118 and name HD3 ))
((resid 119 and name HN ))
3.500 1.500 1.500 peak 1090 weight 0.10000E+01 volume 0.58079E-03 ppm1 1.603 ppm2 8.361 CV 1
ASSI { 1091}
((resid 118 and name HD2 ))
((resid 119 and name HN ))
3.400 1.500 1.500 peak 1091 weight 0.10000E+01 volume 0.61497E-03 ppm1 1.558 ppm2 8.361 CV 1
ASSI { 1092}
((resid 118 and name HD2 ))
((resid 120 and name HN ))
4.300 2.300 1.700 peak 1092 weight 0.10000E+01 volume 0.16576E-03 ppm1 1.558 ppm2 7.913 CV 1
ASSI { 1093}
((resid 118 and name HD3 ))
((resid 120 and name HN ))
4.000 2.000 2.000 peak 1093 weight 0.10000E+01 volume 0.24323E-03 ppm1 1.603 ppm2 7.916 CV 1
ASSI { 1094}
((resid 118 and name HD2 ))
((resid 118 and name HE2 ))
2.900 1.100 1.100 peak 1094 weight 0.10000E+01 volume 0.15710E-02 ppm1 1.560 ppm2 3.034 CV 1
OR { 1094}
((resid 118 and name HD2 ))
((resid 118 and name HE3 ))
ASSI { 1096}
((resid 118 and name HD3 ))
((resid 118 and name HA ))
2.900 1.100 1.100 peak 1096 weight 0.10000E+01 volume 0.16360E-02 ppm1 1.603 ppm2 4.261 CV 1
ASSI { 1097}
((resid 118 and name HD3 ))
((resid 118 and name HE3 ))
3.000 1.100 1.100 peak 1097 weight 0.10000E+01 volume 0.12978E-02 ppm1 1.604 ppm2 3.034 CV 1
OR { 1097}
((resid 118 and name HD3 ))
((resid 118 and name HE2 ))
ASSI { 1099}
((resid 118 and name HD3 ))
((resid 118 and name HD2 ))
1.700 0.300 0.500 peak 1099 weight 0.10000E+01 volume 0.47719E-01 ppm1 1.615 ppm2 1.563 CV 1
ASSI { 1100}
((resid 118 and name HD3 ))
((resid 118 and name HG3 ))
3.100 1.600 0.600 peak 1100 weight 0.10000E+01 volume 0.10221E-01 ppm1 1.614 ppm2 1.747 CV 1
ASSI { 1104}
((resid 118 and name HG3 ))
((resid 118 and name HN ))
3.600 1.600 1.600 peak 1104 weight 0.10000E+01 volume 0.49682E-03 ppm1 1.754 ppm2 8.619 CV 1
ASSI { 1105}
((resid 118 and name HG3 ))
((resid 119 and name HN ))
3.700 1.800 1.800 peak 1105 weight 0.10000E+01 volume 0.36291E-03 ppm1 1.755 ppm2 8.360 CV 1
ASSI { 1106}
((resid 118 and name HG3 ))
((resid 118 and name HA ))
3.000 1.100 1.100 peak 1106 weight 0.10000E+01 volume 0.13745E-02 ppm1 1.753 ppm2 4.260 CV 1
ASSI { 1107}
((resid 118 and name HG3 ))
((resid 118 and name HE2 ))
2.300 0.700 0.700 peak 1107 weight 0.10000E+01 volume 0.61249E-02 ppm1 1.753 ppm2 3.033 CV 1
OR { 1107}
((resid 118 and name HG3 ))
((resid 118 and name HE3 ))
ASSI { 1111}
((resid 118 and name HB2 ))
((resid 118 and name HN ))
2.400 0.700 0.700 peak 1111 weight 0.10000E+01 volume 0.57600E-02 ppm1 1.901 ppm2 8.618 CV 1
ASSI { 1112}
((resid 118 and name HB3 ))
((resid 118 and name HN ))
3.400 0.700 0.700 peak 1112 weight 0.10000E+01 volume 0.56424E-02 ppm1 1.827 ppm2 8.625 CV 1
ASSI { 1117}
((resid 118 and name HB3 ))
((resid 118 and name HE2 ))
3.800 1.800 1.800 peak 1117 weight 0.10000E+01 volume 0.31096E-03 ppm1 1.823 ppm2 3.031 CV 1
OR { 1117}
((resid 118 and name HB3 ))
((resid 118 and name HE3 ))
ASSI { 1118}
((resid 118 and name HB2 ))
((resid 118 and name HE3 ))
4.000 2.000 2.000 peak 1118 weight 0.10000E+01 volume 0.22715E-03 ppm1 1.902 ppm2 3.032 CV 1
OR { 1118}
((resid 118 and name HB2 ))
((resid 118 and name HE2 ))
ASSI { 1119}
((resid 118 and name HB3 ))
( resid 66 and name HG1%)
3.500 1.500 1.500 peak 1119 weight 0.10000E+01 volume 0.55945E-03 ppm1 1.827 ppm2 0.782 CV 1
ASSI { 1120}
((resid 118 and name HB2 ))
( resid 66 and name HG1%)
3.400 1.400 1.400 peak 1120 weight 0.10000E+01 volume 0.68424E-03 ppm1 1.898 ppm2 0.790 CV 1
ASSI { 1122}
((resid 118 and name HA ))
((resid 118 and name HN ))
2.500 0.800 0.800 peak 1122 weight 0.10000E+01 volume 0.44502E-02 ppm1 4.269 ppm2 8.609 CV 1
ASSI { 1127}
((resid 118 and name HA ))
( resid 66 and name HG1%)
2.200 0.600 0.600 peak 1127 weight 0.10000E+01 volume 0.94309E-02 ppm1 4.270 ppm2 0.780 CV 1
ASSI { 1128}
((resid 118 and name HA ))
( resid 119 and name HB% )
4.800 1.200 1.200 peak 1128 weight 0.10000E+01 volume 0.11671E-02 ppm1 4.266 ppm2 1.245 CV 1
ASSI { 1130}
((resid 118 and name HA ))
((resid 118 and name HD2 ))
2.500 0.800 0.800 peak 1130 weight 0.10000E+01 volume 0.38256E-02 ppm1 4.269 ppm2 1.570 CV 1
ASSI { 1131}
((resid 118 and name HA ))
((resid 118 and name HB3 ))
2.300 0.600 0.600 peak 1131 weight 0.10000E+01 volume 0.71872E-02 ppm1 4.269 ppm2 1.820 CV 1
ASSI { 1132}
((resid 118 and name HA ))
((resid 118 and name HB2 ))
2.400 0.700 0.700 peak 1132 weight 0.10000E+01 volume 0.49884E-02 ppm1 4.269 ppm2 1.891 CV 1
ASSI { 1133}
((resid 118 and name HA ))
((resid 66 and name HB ))
3.000 1.100 1.100 peak 1133 weight 0.10000E+01 volume 0.13807E-02 ppm1 4.270 ppm2 2.003 CV 1
ASSI { 1134}
((resid 118 and name HB2 ))
( resid 117 and name HB% )
5.800 1.600 1.600 peak 1134 weight 0.10000E+01 volume 0.46574E-03 ppm1 1.900 ppm2 1.359 CV 1
ASSI { 1139}
((resid 116 and name HB ))
((resid 116 and name HA ))
2.800 1.000 1.000 peak 1139 weight 0.10000E+01 volume 0.19035E-02 ppm1 1.772 ppm2 5.239 CV 1
ASSI { 1140}
((resid 116 and name HB ))
( resid 116 and name HG1%)
2.300 0.600 0.600 peak 1140 weight 0.10000E+01 volume 0.71918E-02 ppm1 1.772 ppm2 0.373 CV 1
ASSI { 1141}
((resid 116 and name HB ))
( resid 66 and name HG2%)
2.400 0.700 0.700 peak 1141 weight 0.10000E+01 volume 0.53966E-02 ppm1 1.771 ppm2 0.589 CV 1
ASSI { 1142}
((resid 116 and name HB ))
( resid 116 and name HG2%)
2.300 0.600 0.600 peak 1142 weight 0.10000E+01 volume 0.75629E-02 ppm1 1.771 ppm2 0.681 CV 1
ASSI { 1144}
((resid 116 and name HB ))
((resid 69 and name HG ))
4.500 2.500 1.500 peak 1144 weight 0.10000E+01 volume 0.12494E-03 ppm1 1.772 ppm2 1.348 CV 1
ASSI { 1146}
((resid 116 and name HB ))
((resid 66 and name HB ))
2.700 0.900 0.900 peak 1146 weight 0.10000E+01 volume 0.24973E-02 ppm1 1.771 ppm2 2.011 CV 1
ASSI { 1147}
((resid 116 and name HB ))
( resid 88 and name HD1%)
4.200 2.200 1.800 peak 1147 weight 0.10000E+01 volume 0.18030E-03 ppm1 1.769 ppm2 0.042 CV 1
ASSI { 1149}
((resid 115 and name HB3 ))
((resid 69 and name HN ))
4.700 2.800 1.300 peak 1149 weight 0.10000E+01 volume 0.89839E-04 ppm1 3.623 ppm2 9.444 CV 1
ASSI { 1151}
((resid 115 and name HB3 ))
( resid 82 and name HE% )
2.600 0.800 0.800 peak 1151 weight 0.10000E+01 volume 0.36014E-02 ppm1 3.627 ppm2 7.479 CV 1
ASSI { 1152}
((resid 115 and name HB3 ))
( resid 115 and name HD% )
2.400 0.700 0.700 peak 1152 weight 0.10000E+01 volume 0.48121E-02 ppm1 3.626 ppm2 7.053 CV 1
ASSI { 1153}
((resid 115 and name HB3 ))
((resid 82 and name HZ ))
2.600 0.800 0.800 peak 1153 weight 0.10000E+01 volume 0.33709E-02 ppm1 3.625 ppm2 6.794 CV 1
ASSI { 1154}
((resid 115 and name HB3 ))
((resid 115 and name HA ))
2.900 1.000 1.000 peak 1154 weight 0.10000E+01 volume 0.18292E-02 ppm1 3.624 ppm2 4.483 CV 1
ASSI { 1156}
((resid 115 and name HB3 ))
((resid 115 and name HB2 ))
2.100 0.500 0.500 peak 1156 weight 0.10000E+01 volume 0.12534E-01 ppm1 3.622 ppm2 3.235 CV 1
ASSI { 1158}
((resid 115 and name HB3 ))
((resid 112 and name HD2 ))
4.000 2.000 2.000 peak 1158 weight 0.10000E+01 volume 0.25375E-03 ppm1 3.622 ppm2 2.803 CV 1
ASSI { 1159}
((resid 115 and name HB3 ))
( resid 116 and name HG1%)
3.000 1.100 1.100 peak 1159 weight 0.10000E+01 volume 0.14721E-02 ppm1 3.626 ppm2 0.377 CV 1
ASSI { 1160}
((resid 115 and name HB3 ))
((resid 112 and name HG2 ))
3.000 1.100 1.100 peak 1160 weight 0.10000E+01 volume 0.13688E-02 ppm1 3.626 ppm2 0.609 CV 1
ASSI { 1161}
((resid 115 and name HB3 ))
((resid 112 and name HB3 ))
4.300 2.300 1.700 peak 1161 weight 0.10000E+01 volume 0.16576E-03 ppm1 3.629 ppm2 1.105 CV 1
ASSI { 1162}
((resid 115 and name HB3 ))
((resid 112 and name HB2 ))
4.200 2.200 1.800 peak 1162 weight 0.10000E+01 volume 0.19221E-03 ppm1 3.628 ppm2 1.218 CV 1
ASSI { 1163}
((resid 115 and name HB3 ))
((resid 111 and name HB ))
3.700 1.700 1.700 peak 1163 weight 0.10000E+01 volume 0.36724E-03 ppm1 3.626 ppm2 1.664 CV 1
ASSI { 1165}
((resid 115 and name HB2 ))
( resid 82 and name HE% )
2.800 1.000 1.000 peak 1165 weight 0.10000E+01 volume 0.19591E-02 ppm1 3.244 ppm2 7.478 CV 1
ASSI { 1166}
((resid 115 and name HB2 ))
( resid 115 and name HD% )
2.600 0.800 0.800 peak 1166 weight 0.10000E+01 volume 0.33199E-02 ppm1 3.241 ppm2 7.050 CV 1
ASSI { 1167}
((resid 115 and name HB2 ))
((resid 82 and name HZ ))
2.600 0.800 0.800 peak 1167 weight 0.10000E+01 volume 0.35658E-02 ppm1 3.243 ppm2 6.801 CV 1
ASSI { 1172}
((resid 115 and name HB2 ))
((resid 112 and name HD2 ))
2.800 1.000 1.000 peak 1172 weight 0.10000E+01 volume 0.18850E-02 ppm1 3.246 ppm2 2.803 CV 1
ASSI { 1174}
((resid 115 and name HB2 ))
((resid 112 and name HG2 ))
2.700 0.900 0.900 peak 1174 weight 0.10000E+01 volume 0.28390E-02 ppm1 3.245 ppm2 0.607 CV 1
ASSI { 1175}
((resid 115 and name HB2 ))
((resid 112 and name HB3 ))
4.000 2.000 2.000 peak 1175 weight 0.10000E+01 volume 0.22762E-03 ppm1 3.245 ppm2 1.107 CV 1
ASSI { 1176}
((resid 115 and name HB2 ))
((resid 112 and name HB2 ))
3.300 1.400 1.400 peak 1176 weight 0.10000E+01 volume 0.74454E-03 ppm1 3.243 ppm2 1.225 CV 1
ASSI { 1177}
((resid 115 and name HB2 ))
((resid 111 and name HB ))
4.100 2.100 1.900 peak 1177 weight 0.10000E+01 volume 0.21710E-03 ppm1 3.248 ppm2 1.666 CV 1
ASSI { 1179}
((resid 115 and name HA ))
( resid 115 and name HD% )
2.700 0.900 0.900 peak 1179 weight 0.10000E+01 volume 0.23318E-02 ppm1 4.496 ppm2 7.040 CV 1
ASSI { 1180}
((resid 115 and name HA ))
((resid 70 and name HD2 ))
3.100 1.200 1.200 peak 1180 weight 0.10000E+01 volume 0.10721E-02 ppm1 4.496 ppm2 6.418 CV 1
ASSI { 1183}
((resid 115 and name HA ))
((resid 115 and name HB2 ))
2.700 0.900 0.900 peak 1183 weight 0.10000E+01 volume 0.24463E-02 ppm1 4.496 ppm2 3.238 CV 1
ASSI { 1184}
((resid 115 and name HA ))
((resid 69 and name HB2 ))
3.200 1.300 1.300 peak 1184 weight 0.10000E+01 volume 0.86314E-03 ppm1 4.492 ppm2 1.244 CV 1
ASSI { 1185}
((resid 115 and name HA ))
( resid 69 and name HD1%)
5.000 1.600 1.600 peak 1185 weight 0.10000E+01 volume 0.52280E-03 ppm1 4.492 ppm2 0.656 CV 1
ASSI { 1186}
((resid 114 and name HB3 ))
((resid 114 and name HD21))
2.700 0.900 0.900 peak 1186 weight 0.10000E+01 volume 0.23272E-02 ppm1 2.515 ppm2 7.304 CV 1
ASSI { 1187}
((resid 114 and name HB3 ))
((resid 114 and name HN ))
2.800 1.000 1.000 peak 1187 weight 0.10000E+01 volume 0.19174E-02 ppm1 2.516 ppm2 7.211 CV 1
ASSI { 1188}
((resid 114 and name HB3 ))
((resid 114 and name HD22))
3.000 1.100 1.100 peak 1188 weight 0.10000E+01 volume 0.14292E-02 ppm1 2.516 ppm2 6.513 CV 1
ASSI { 1191}
((resid 114 and name HB3 ))
((resid 114 and name HB2 ))
2.000 0.500 0.500 peak 1191 weight 0.10000E+01 volume 0.16221E-01 ppm1 2.517 ppm2 1.411 CV 1
ASSI { 1192}
((resid 114 and name HB2 ))
((resid 114 and name HD21))
2.900 1.000 1.000 peak 1192 weight 0.10000E+01 volume 0.18184E-02 ppm1 1.423 ppm2 7.300 CV 1
ASSI { 1193}
((resid 114 and name HB2 ))
((resid 114 and name HN ))
2.700 0.900 0.900 peak 1193 weight 0.10000E+01 volume 0.28390E-02 ppm1 1.424 ppm2 7.217 CV 1
ASSI { 1194}
((resid 114 and name HB2 ))
((resid 114 and name HD22))
3.600 1.600 1.600 peak 1194 weight 0.10000E+01 volume 0.48322E-03 ppm1 1.424 ppm2 6.513 CV 1
ASSI { 1201}
((resid 113 and name HB2 ))
((resid 114 and name HN ))
3.300 1.400 1.400 peak 1201 weight 0.10000E+01 volume 0.73000E-03 ppm1 1.082 ppm2 7.212 CV 1
ASSI { 1202}
((resid 113 and name HB2 ))
( resid 113 and name HD% )
2.600 0.800 0.800 peak 1202 weight 0.10000E+01 volume 0.36045E-02 ppm1 1.080 ppm2 6.900 CV 1
ASSI { 1204}
((resid 113 and name HB2 ))
((resid 113 and name HB3 ))
1.900 0.500 0.500 peak 1204 weight 0.10000E+01 volume 0.21261E-01 ppm1 1.079 ppm2 1.481 CV 1
ASSI { 1208}
((resid 113 and name HB3 ))
((resid 98 and name HE1 ))
3.500 1.500 1.500 peak 1208 weight 0.10000E+01 volume 0.55744E-03 ppm1 1.485 ppm2 9.517 CV 1
ASSI { 1209}
((resid 113 and name HB3 ))
((resid 113 and name HN ))
2.500 0.800 0.800 peak 1209 weight 0.10000E+01 volume 0.37359E-02 ppm1 1.489 ppm2 7.532 CV 1
ASSI { 1211}
((resid 113 and name HB3 ))
((resid 114 and name HN ))
3.400 1.500 1.500 peak 1211 weight 0.10000E+01 volume 0.62223E-03 ppm1 1.488 ppm2 7.210 CV 1
ASSI { 1212}
((resid 113 and name HB3 ))
( resid 113 and name HD% )
2.700 0.900 0.900 peak 1212 weight 0.10000E+01 volume 0.26179E-02 ppm1 1.489 ppm2 6.907 CV 1
ASSI { 1216}
((resid 113 and name HB3 ))
((resid 97 and name HB2 ))
3.400 1.500 1.500 peak 1216 weight 0.10000E+01 volume 0.60414E-03 ppm1 1.489 ppm2 2.933 CV 1
OR { 1216}
((resid 113 and name HB3 ))
((resid 97 and name HB3 ))
ASSI { 1219}
((resid 113 and name HA ))
((resid 97 and name HA ))
4.700 2.800 1.300 peak 1219 weight 0.10000E+01 volume 0.88603E-04 ppm1 2.835 ppm2 5.218 CV 1
ASSI { 1220}
((resid 112 and name HD2 ))
((resid 111 and name HN ))
4.300 2.300 1.700 peak 1220 weight 0.10000E+01 volume 0.16344E-03 ppm1 2.805 ppm2 9.577 CV 1
ASSI { 1221}
((resid 112 and name HD2 ))
((resid 97 and name HZ3 ))
2.500 0.800 0.800 peak 1221 weight 0.10000E+01 volume 0.44827E-02 ppm1 2.804 ppm2 7.471 CV 1
ASSI { 1222}
((resid 112 and name HD2 ))
( resid 72 and name HD% )
2.900 1.000 1.000 peak 1222 weight 0.10000E+01 volume 0.18246E-02 ppm1 2.805 ppm2 7.055 CV 1
ASSI { 1223}
((resid 112 and name HD2 ))
((resid 82 and name HZ ))
2.500 0.800 0.800 peak 1223 weight 0.10000E+01 volume 0.40807E-02 ppm1 2.805 ppm2 6.795 CV 1
ASSI { 1224}
((resid 112 and name HD2 ))
( resid 72 and name HE% )
2.400 0.700 0.700 peak 1224 weight 0.10000E+01 volume 0.47131E-02 ppm1 2.805 ppm2 6.736 CV 1
ASSI { 1229}
((resid 112 and name HD2 ))
((resid 112 and name HA ))
2.900 1.000 1.000 peak 1229 weight 0.10000E+01 volume 0.17643E-02 ppm1 2.805 ppm2 3.617 CV 1
ASSI { 1231}
((resid 112 and name HD2 ))
((resid 112 and name HG3 ))
2.300 0.700 0.700 peak 1231 weight 0.10000E+01 volume 0.63290E-02 ppm1 2.803 ppm2 0.598 CV 1
ASSI { 1232}
((resid 112 and name HD2 ))
((resid 112 and name HB3 ))
3.500 0.800 0.800 peak 1232 weight 0.10000E+01 volume 0.43513E-02 ppm1 2.803 ppm2 1.114 CV 1
ASSI { 1234}
((resid 112 and name HD2 ))
((resid 111 and name HB ))
2.100 0.600 0.600 peak 1234 weight 0.10000E+01 volume 0.10459E-01 ppm1 2.805 ppm2 1.659 CV 1
ASSI { 1236}
((resid 112 and name HD2 ))
((resid 97 and name HE3 ))
3.300 1.400 1.400 peak 1236 weight 0.10000E+01 volume 0.78629E-03 ppm1 2.806 ppm2 7.154 CV 1
ASSI { 1237}
((resid 112 and name HD2 ))
((resid 112 and name HB2 ))
3.500 1.500 1.500 peak 1237 weight 0.10000E+01 volume 0.56563E-03 ppm1 2.806 ppm2 1.215 CV 1
ASSI { 1238}
((resid 112 and name HG3 ))
((resid 115 and name HN ))
3.800 1.800 1.800 peak 1238 weight 0.10000E+01 volume 0.31158E-03 ppm1 0.601 ppm2 7.654 CV 1
ASSI { 1239}
((resid 112 and name HG2 ))
( resid 82 and name HE% )
3.800 1.800 1.800 peak 1239 weight 0.10000E+01 volume 0.35240E-03 ppm1 0.605 ppm2 7.477 CV 1
OR { 1239}
((resid 112 and name HG3 ))
( resid 82 and name HE% )
ASSI { 1240}
((resid 112 and name HG3 ))
( resid 115 and name HD% )
3.600 1.600 1.600 peak 1240 weight 0.10000E+01 volume 0.45152E-03 ppm1 0.611 ppm2 7.387 CV 1
ASSI { 1241}
((resid 112 and name HG2 ))
((resid 97 and name HH2 ))
3.700 1.700 1.700 peak 1241 weight 0.10000E+01 volume 0.39245E-03 ppm1 0.607 ppm2 7.259 CV 1
ASSI { 1242}
((resid 112 and name HG3 ))
( resid 72 and name HD% )
3.100 1.200 1.200 peak 1242 weight 0.10000E+01 volume 0.10258E-02 ppm1 0.601 ppm2 7.060 CV 1
ASSI { 1243}
((resid 112 and name HG3 ))
( resid 72 and name HE% )
3.000 1.100 1.100 peak 1243 weight 0.10000E+01 volume 0.15002E-02 ppm1 0.604 ppm2 6.730 CV 1
ASSI { 1244}
((resid 112 and name HG2 ))
((resid 82 and name HZ ))
4.200 2.200 1.800 peak 1244 weight 0.10000E+01 volume 0.18200E-03 ppm1 0.607 ppm2 6.801 CV 1
OR { 1244}
((resid 112 and name HG3 ))
((resid 82 and name HZ ))
ASSI { 1247}
((resid 112 and name HG3 ))
((resid 115 and name HB2 ))
3.200 1.300 1.300 peak 1247 weight 0.10000E+01 volume 0.96489E-03 ppm1 0.607 ppm2 3.233 CV 1
ASSI { 1254}
((resid 112 and name HB2 ))
( resid 115 and name HD% )
4.200 2.200 1.800 peak 1254 weight 0.10000E+01 volume 0.19421E-03 ppm1 1.230 ppm2 7.382 CV 1
ASSI { 1256}
((resid 112 and name HB2 ))
( resid 115 and name HE% )
3.300 1.400 1.400 peak 1256 weight 0.10000E+01 volume 0.71501E-03 ppm1 1.228 ppm2 7.057 CV 1
ASSI { 1260}
((resid 112 and name HB2 ))
((resid 112 and name HG3 ))
2.600 0.900 0.900 peak 1260 weight 0.10000E+01 volume 0.29085E-02 ppm1 1.228 ppm2 0.591 CV 1
ASSI { 1261}
((resid 112 and name HB2 ))
((resid 112 and name HB3 ))
2.100 0.500 0.500 peak 1261 weight 0.10000E+01 volume 0.12052E-01 ppm1 1.226 ppm2 1.108 CV 1
ASSI { 1263}
((resid 112 and name HB3 ))
((resid 115 and name HN ))
3.900 1.900 1.900 peak 1263 weight 0.10000E+01 volume 0.29920E-03 ppm1 1.116 ppm2 7.645 CV 1
ASSI { 1264}
((resid 112 and name HB3 ))
((resid 113 and name HN ))
4.500 2.500 1.500 peak 1264 weight 0.10000E+01 volume 0.12309E-03 ppm1 1.111 ppm2 7.530 CV 1
ASSI { 1265}
((resid 112 and name HB3 ))
((resid 114 and name HN ))
3.700 1.700 1.700 peak 1265 weight 0.10000E+01 volume 0.38209E-03 ppm1 1.114 ppm2 7.234 CV 1
ASSI { 1266}
((resid 112 and name HB3 ))
( resid 72 and name HD% )
3.600 1.600 1.600 peak 1266 weight 0.10000E+01 volume 0.46915E-03 ppm1 1.118 ppm2 7.055 CV 1
ASSI { 1270}
((resid 112 and name HB3 ))
((resid 112 and name HG3 ))
2.700 0.900 0.900 peak 1270 weight 0.10000E+01 volume 0.26272E-02 ppm1 1.114 ppm2 0.596 CV 1
ASSI { 1273}
((resid 111 and name HG12))
((resid 111 and name HN ))
2.600 0.800 0.800 peak 1273 weight 0.10000E+01 volume 0.34730E-02 ppm1 1.003 ppm2 9.567 CV 1
ASSI { 1274}
((resid 111 and name HG12))
((resid 98 and name HN ))
3.400 1.400 1.400 peak 1274 weight 0.10000E+01 volume 0.65547E-03 ppm1 1.002 ppm2 9.008 CV 1
ASSI { 1275}
((resid 111 and name HG12))
( resid 82 and name HE% )
4.100 2.100 1.900 peak 1275 weight 0.10000E+01 volume 0.20303E-03 ppm1 1.000 ppm2 7.478 CV 1
ASSI { 1278}
((resid 111 and name HG12))
((resid 98 and name HB3 ))
3.200 1.300 1.300 peak 1278 weight 0.10000E+01 volume 0.85819E-03 ppm1 1.001 ppm2 3.324 CV 1
ASSI { 1279}
((resid 111 and name HG12))
((resid 98 and name HB2 ))
2.700 0.900 0.900 peak 1279 weight 0.10000E+01 volume 0.28204E-02 ppm1 1.002 ppm2 2.959 CV 1
ASSI { 1280}
((resid 111 and name HG12))
((resid 112 and name HD2 ))
3.500 1.500 1.500 peak 1280 weight 0.10000E+01 volume 0.52357E-03 ppm1 1.000 ppm2 2.810 CV 1
ASSI { 1281}
((resid 111 and name HG13))
((resid 111 and name HN ))
2.700 0.900 0.900 peak 1281 weight 0.10000E+01 volume 0.27215E-02 ppm1 1.412 ppm2 9.571 CV 1
ASSI { 1282}
((resid 111 and name HG13))
((resid 98 and name HN ))
3.200 1.200 1.200 peak 1282 weight 0.10000E+01 volume 0.10209E-02 ppm1 1.416 ppm2 9.013 CV 1
ASSI { 1283}
((resid 111 and name HG13))
( resid 82 and name HE% )
3.900 1.900 1.900 peak 1283 weight 0.10000E+01 volume 0.27401E-03 ppm1 1.411 ppm2 7.478 CV 1
ASSI { 1284}
((resid 111 and name HG13))
((resid 98 and name HE3 ))
3.800 1.800 1.800 peak 1284 weight 0.10000E+01 volume 0.34823E-03 ppm1 1.413 ppm2 7.213 CV 1
ASSI { 1286}
((resid 111 and name HG13))
((resid 100 and name HA ))
4.600 2.600 1.400 peak 1286 weight 0.10000E+01 volume 0.10793E-03 ppm1 1.414 ppm2 5.439 CV 1
ASSI { 1288}
((resid 111 and name HG13))
((resid 112 and name HD2 ))
3.000 1.100 1.100 peak 1288 weight 0.10000E+01 volume 0.13298E-02 ppm1 1.411 ppm2 2.815 CV 1
ASSI { 1291}
((resid 111 and name HB ))
((resid 111 and name HN ))
3.500 1.600 1.600 peak 1291 weight 0.10000E+01 volume 0.50208E-03 ppm1 1.670 ppm2 9.563 CV 1
ASSI { 1292}
((resid 111 and name HB ))
( resid 82 and name HE% )
2.300 0.700 0.700 peak 1292 weight 0.10000E+01 volume 0.69042E-02 ppm1 1.670 ppm2 7.473 CV 1
ASSI { 1293}
((resid 111 and name HB ))
( resid 115 and name HE% )
5.700 1.700 1.000 peak 1293 weight 0.10000E+01 volume 0.37823E-03 ppm1 1.671 ppm2 7.053 CV 1
ASSI { 1294}
((resid 111 and name HB ))
( resid 82 and name HD% )
3.600 1.700 1.700 peak 1294 weight 0.10000E+01 volume 0.43018E-03 ppm1 1.672 ppm2 6.970 CV 1
ASSI { 1295}
((resid 111 and name HB ))
((resid 82 and name HZ ))
3.200 1.300 1.300 peak 1295 weight 0.10000E+01 volume 0.89098E-03 ppm1 1.669 ppm2 6.791 CV 1
ASSI { 1301}
((resid 111 and name HB ))
((resid 111 and name HG12))
2.700 0.900 0.900 peak 1301 weight 0.10000E+01 volume 0.28034E-02 ppm1 1.674 ppm2 1.003 CV 1
ASSI { 1303}
((resid 111 and name HB ))
((resid 111 and name HG13))
2.500 0.800 0.800 peak 1303 weight 0.10000E+01 volume 0.39075E-02 ppm1 1.675 ppm2 1.407 CV 1
ASSI { 1309}
((resid 111 and name HG12))
( resid 111 and name HD1%)
2.300 0.700 0.700 peak 1309 weight 0.10000E+01 volume 0.65671E-02 ppm1 1.005 ppm2 0.458 CV 1
ASSI { 1311}
((resid 111 and name HG12))
( resid 111 and name HG2%)
2.400 0.700 0.700 peak 1311 weight 0.10000E+01 volume 0.49775E-02 ppm1 1.007 ppm2 1.102 CV 1
ASSI { 1312}
((resid 111 and name HG12))
( resid 100 and name HB% )
2.300 0.700 0.700 peak 1312 weight 0.10000E+01 volume 0.67789E-02 ppm1 1.005 ppm2 1.218 CV 1
ASSI { 1313}
((resid 111 and name HG12))
((resid 111 and name HG13))
1.800 0.400 0.400 peak 1313 weight 0.10000E+01 volume 0.26333E-01 ppm1 1.005 ppm2 1.404 CV 1
ASSI { 1315}
((resid 109 and name HA2 ))
((resid 80 and name HN ))
3.300 1.400 1.400 peak 1315 weight 0.10000E+01 volume 0.71145E-03 ppm1 4.103 ppm2 9.105 CV 1
ASSI { 1317}
((resid 109 and name HA2 ))
((resid 110 and name HA ))
4.300 2.300 1.700 peak 1317 weight 0.10000E+01 volume 0.15973E-03 ppm1 4.104 ppm2 5.679 CV 1
ASSI { 1318}
((resid 109 and name HA2 ))
((resid 79 and name HA ))
3.500 1.600 1.600 peak 1318 weight 0.10000E+01 volume 0.50240E-03 ppm1 4.106 ppm2 5.336 CV 1
ASSI { 1319}
((resid 109 and name HA2 ))
((resid 109 and name HA1 ))
1.600 0.300 0.600 peak 1319 weight 0.10000E+01 volume 0.52249E-01 ppm1 4.107 ppm2 3.935 CV 1
ASSI { 1321}
((resid 109 and name HA2 ))
((resid 80 and name HB3 ))
3.100 1.200 1.200 peak 1321 weight 0.10000E+01 volume 0.10918E-02 ppm1 4.104 ppm2 1.759 CV 1
ASSI { 1322}
((resid 109 and name HA2 ))
((resid 80 and name HB2 ))
2.600 0.900 0.900 peak 1322 weight 0.10000E+01 volume 0.30276E-02 ppm1 4.107 ppm2 0.735 CV 1
ASSI { 1329}
((resid 108 and name HB2 ))
((resid 101 and name HA ))
3.500 1.500 1.500 peak 1329 weight 0.10000E+01 volume 0.58666E-03 ppm1 1.874 ppm2 5.267 CV 1
ASSI { 1330}
((resid 108 and name HB3 ))
((resid 101 and name HA ))
3.800 1.900 1.900 peak 1330 weight 0.10000E+01 volume 0.30694E-03 ppm1 1.809 ppm2 5.264 CV 1
ASSI { 1331}
((resid 108 and name HB3 ))
( resid 91 and name HD1%)
2.900 1.000 1.000 peak 1331 weight 0.10000E+01 volume 0.17457E-02 ppm1 1.812 ppm2 0.682 CV 1
ASSI { 1332}
((resid 108 and name HB2 ))
( resid 91 and name HD1%)
3.000 1.100 1.100 peak 1332 weight 0.10000E+01 volume 0.14518E-02 ppm1 1.872 ppm2 0.682 CV 1
ASSI { 1333}
((resid 108 and name HB2 ))
((resid 108 and name HG2 ))
2.200 0.600 0.600 peak 1333 weight 0.10000E+01 volume 0.96937E-02 ppm1 1.872 ppm2 2.017 CV 1
ASSI { 1334}
((resid 108 and name HB3 ))
((resid 108 and name HG2 ))
2.000 0.500 0.500 peak 1334 weight 0.10000E+01 volume 0.15206E-01 ppm1 1.810 ppm2 2.010 CV 1
ASSI { 1335}
((resid 108 and name HB3 ))
((resid 108 and name HG3 ))
2.500 0.800 0.800 peak 1335 weight 0.10000E+01 volume 0.38982E-02 ppm1 1.808 ppm2 2.243 CV 1
ASSI { 1336}
((resid 108 and name HB2 ))
((resid 108 and name HG3 ))
2.900 1.100 1.100 peak 1336 weight 0.10000E+01 volume 0.15258E-02 ppm1 1.873 ppm2 2.243 CV 1
ASSI { 1337}
((resid 108 and name HB3 ))
((resid 108 and name HB2 ))
1.900 0.500 0.500 peak 1337 weight 0.10000E+01 volume 0.18184E-01 ppm1 1.806 ppm2 1.879 CV 1
ASSI { 1344}
((resid 107 and name HB3 ))
((resid 107 and name HA ))
2.500 0.800 0.800 peak 1344 weight 0.10000E+01 volume 0.39755E-02 ppm1 2.052 ppm2 4.200 CV 1
ASSI { 1347}
((resid 107 and name HB3 ))
((resid 107 and name HB2 ))
1.400 0.200 0.800 peak 1347 weight 0.10000E+01 volume 0.14642E+00 ppm1 2.056 ppm2 2.052 CV 1
ASSI { 1349}
((resid 107 and name HB3 ))
((resid 107 and name HG2 ))
2.300 0.700 0.700 peak 1349 weight 0.10000E+01 volume 0.66073E-02 ppm1 2.058 ppm2 2.405 CV 1
OR { 1349}
((resid 107 and name HB3 ))
((resid 107 and name HG3 ))
ASSI { 1350}
((resid 107 and name HB2 ))
((resid 108 and name HN ))
3.200 1.200 1.200 peak 1350 weight 0.10000E+01 volume 0.10060E-02 ppm1 1.937 ppm2 8.541 CV 1
ASSI { 1357}
((resid 107 and name HB2 ))
((resid 107 and name HG3 ))
2.200 0.600 0.600 peak 1357 weight 0.10000E+01 volume 0.77717E-02 ppm1 1.937 ppm2 2.409 CV 1
OR { 1357}
((resid 107 and name HB2 ))
((resid 107 and name HG2 ))
ASSI { 1359}
((resid 107 and name HA ))
((resid 107 and name HG3 ))
2.400 0.700 0.700 peak 1359 weight 0.10000E+01 volume 0.49374E-02 ppm1 4.226 ppm2 2.410 CV 1
OR { 1359}
((resid 107 and name HA ))
((resid 107 and name HG2 ))
ASSI { 1360}
((resid 107 and name HA ))
((resid 107 and name HB2 ))
2.200 0.600 0.600 peak 1360 weight 0.10000E+01 volume 0.98515E-02 ppm1 4.226 ppm2 2.045 CV 1
ASSI { 1362}
((resid 107 and name HA ))
( resid 80 and name HD1%)
3.500 1.500 1.500 peak 1362 weight 0.10000E+01 volume 0.56532E-03 ppm1 4.226 ppm2 0.806 CV 1
ASSI { 1366}
((resid 107 and name HG2 ))
((resid 108 and name HN ))
3.300 1.400 1.400 peak 1366 weight 0.10000E+01 volume 0.78289E-03 ppm1 2.439 ppm2 8.547 CV 1
ASSI { 1367}
((resid 107 and name HG2 ))
((resid 107 and name HN ))
2.900 1.100 1.100 peak 1367 weight 0.10000E+01 volume 0.15141E-02 ppm1 2.445 ppm2 7.921 CV 1
ASSI { 1369}
((resid 107 and name HG3 ))
((resid 107 and name HE21))
3.100 1.200 1.200 peak 1369 weight 0.10000E+01 volume 0.10359E-02 ppm1 2.401 ppm2 7.569 CV 1
ASSI { 1370}
((resid 107 and name HG2 ))
((resid 107 and name HE21))
3.100 1.200 1.200 peak 1370 weight 0.10000E+01 volume 0.10960E-02 ppm1 2.442 ppm2 7.569 CV 1
ASSI { 1371}
((resid 107 and name HG2 ))
((resid 107 and name HE22))
3.900 1.900 1.900 peak 1371 weight 0.10000E+01 volume 0.29024E-03 ppm1 2.441 ppm2 6.947 CV 1
ASSI { 1375}
((resid 107 and name HG3 ))
((resid 107 and name HA ))
3.000 1.200 1.200 peak 1375 weight 0.10000E+01 volume 0.12624E-02 ppm1 2.398 ppm2 4.215 CV 1
ASSI { 1376}
((resid 107 and name HG2 ))
((resid 107 and name HA ))
2.800 1.000 1.000 peak 1376 weight 0.10000E+01 volume 0.19468E-02 ppm1 2.442 ppm2 4.215 CV 1
ASSI { 1378}
((resid 107 and name HG3 ))
((resid 105 and name HB ))
3.200 1.300 1.300 peak 1378 weight 0.10000E+01 volume 0.94309E-03 ppm1 2.399 ppm2 4.474 CV 1
ASSI { 1379}
((resid 107 and name HG3 ))
( resid 80 and name HD1%)
3.300 1.400 1.400 peak 1379 weight 0.10000E+01 volume 0.70991E-03 ppm1 2.401 ppm2 0.797 CV 1
ASSI { 1380}
((resid 107 and name HG3 ))
( resid 105 and name HG2%)
3.800 1.800 1.800 peak 1380 weight 0.10000E+01 volume 0.32179E-03 ppm1 2.401 ppm2 1.256 CV 1
OR { 1380}
((resid 107 and name HG2 ))
( resid 105 and name HG2%)
ASSI { 1382}
((resid 107 and name HG2 ))
( resid 80 and name HD1%)
3.100 1.200 1.200 peak 1382 weight 0.10000E+01 volume 0.10718E-02 ppm1 2.432 ppm2 0.797 CV 1
ASSI { 1383}
((resid 107 and name HG2 ))
((resid 107 and name HB3 ))
2.500 0.800 0.800 peak 1383 weight 0.10000E+01 volume 0.43049E-02 ppm1 2.434 ppm2 1.922 CV 1
ASSI { 1384}
((resid 107 and name HG3 ))
((resid 107 and name HB3 ))
2.500 0.800 0.800 peak 1384 weight 0.10000E+01 volume 0.40018E-02 ppm1 2.399 ppm2 1.922 CV 1
ASSI { 1385}
((resid 107 and name HG3 ))
((resid 107 and name HB2 ))
2.800 1.000 1.000 peak 1385 weight 0.10000E+01 volume 0.20767E-02 ppm1 2.399 ppm2 2.055 CV 1
ASSI { 1386}
((resid 107 and name HG2 ))
((resid 107 and name HB2 ))
3.000 1.100 1.100 peak 1386 weight 0.10000E+01 volume 0.14328E-02 ppm1 2.434 ppm2 2.052 CV 1
ASSI { 1390}
((resid 107 and name HG2 ))
((resid 107 and name HG3 ))
1.700 0.300 0.500 peak 1390 weight 0.10000E+01 volume 0.49342E-01 ppm1 2.435 ppm2 2.435 CV 1
ASSI { 1391}
((resid 106 and name HA2 ))
((resid 102 and name HN ))
4.400 2.500 1.600 peak 1391 weight 0.10000E+01 volume 0.13128E-03 ppm1 3.830 ppm2 8.759 CV 1
ASSI { 1395}
((resid 106 and name HA2 ))
((resid 101 and name HE22))
4.000 2.000 2.000 peak 1395 weight 0.10000E+01 volume 0.24261E-03 ppm1 3.831 ppm2 6.748 CV 1
ASSI { 1396}
((resid 106 and name HA2 ))
( resid 103 and name HD1%)
4.700 2.700 1.300 peak 1396 weight 0.10000E+01 volume 0.96025E-04 ppm1 3.832 ppm2 0.797 CV 1
ASSI { 1397}
((resid 106 and name HA2 ))
((resid 101 and name HG3 ))
3.100 1.200 1.200 peak 1397 weight 0.10000E+01 volume 0.11133E-02 ppm1 3.829 ppm2 1.995 CV 1
ASSI { 1398}
((resid 106 and name HA2 ))
((resid 101 and name HG2 ))
3.100 1.200 1.200 peak 1398 weight 0.10000E+01 volume 0.10371E-02 ppm1 3.830 ppm2 2.109 CV 1
ASSI { 1399}
((resid 106 and name HA1 ))
((resid 105 and name HN ))
3.900 1.900 1.900 peak 1399 weight 0.10000E+01 volume 0.26968E-03 ppm1 4.258 ppm2 8.126 CV 1
ASSI { 1400}
((resid 106 and name HA1 ))
((resid 107 and name HN ))
2.900 1.100 1.100 peak 1400 weight 0.10000E+01 volume 0.15494E-02 ppm1 4.259 ppm2 7.919 CV 1
ASSI { 1402}
((resid 106 and name HA1 ))
((resid 101 and name HG3 ))
3.300 1.300 1.300 peak 1402 weight 0.10000E+01 volume 0.83949E-03 ppm1 4.259 ppm2 1.987 CV 1
ASSI { 1403}
((resid 106 and name HA1 ))
((resid 101 and name HG2 ))
3.700 1.700 1.700 peak 1403 weight 0.10000E+01 volume 0.39291E-03 ppm1 4.262 ppm2 2.110 CV 1
ASSI { 1404}
((resid 106 and name HA1 ))
((resid 106 and name HA2 ))
1.700 0.300 0.500 peak 1404 weight 0.10000E+01 volume 0.48244E-01 ppm1 4.260 ppm2 3.832 CV 1
ASSI { 1406}
((resid 105 and name HB ))
((resid 105 and name HG1 ))
2.800 1.000 1.000 peak 1406 weight 0.10000E+01 volume 0.21030E-02 ppm1 4.488 ppm2 5.964 CV 1
ASSI { 1407}
((resid 105 and name HB ))
((resid 105 and name HA ))
1.600 0.300 0.600 peak 1407 weight 0.10000E+01 volume 0.56502E-01 ppm1 4.485 ppm2 4.483 CV 1
ASSI { 1409}
((resid 105 and name HB ))
((resid 107 and name HG2 ))
3.300 1.400 1.400 peak 1409 weight 0.10000E+01 volume 0.74253E-03 ppm1 4.481 ppm2 2.426 CV 1
ASSI { 1411}
((resid 105 and name HA ))
( resid 105 and name HG2%)
3.000 1.100 1.100 peak 1411 weight 0.10000E+01 volume 0.15092E-02 ppm1 4.534 ppm2 1.261 CV 1
ASSI { 1412}
((resid 105 and name HA ))
((resid 105 and name HN ))
3.200 1.300 1.300 peak 1412 weight 0.10000E+01 volume 0.96041E-03 ppm1 4.542 ppm2 8.128 CV 1
ASSI { 1413}
((resid 107 and name HB2 ))
((resid 105 and name HG1 ))
3.100 1.200 1.200 peak 1413 weight 0.10000E+01 volume 0.11039E-02 ppm1 1.936 ppm2 5.962 CV 1
ASSI { 1414}
((resid 107 and name HB3 ))
((resid 105 and name HG1 ))
3.300 1.400 1.400 peak 1414 weight 0.10000E+01 volume 0.75613E-03 ppm1 2.056 ppm2 5.959 CV 1
ASSI { 1415}
((resid 107 and name HG2 ))
((resid 105 and name HG1 ))
4.300 2.300 1.700 peak 1415 weight 0.10000E+01 volume 0.16175E-03 ppm1 2.438 ppm2 5.963 CV 1
ASSI { 1416}
((resid 107 and name HG3 ))
((resid 105 and name HG1 ))
4.300 2.300 1.700 peak 1416 weight 0.10000E+01 volume 0.16654E-03 ppm1 2.406 ppm2 5.964 CV 1
ASSI { 1422}
((resid 104 and name HB ))
((resid 86 and name HG3 ))
4.000 2.000 2.000 peak 1422 weight 0.10000E+01 volume 0.24911E-03 ppm1 4.100 ppm2 2.370 CV 1
ASSI { 1423}
((resid 104 and name HB ))
((resid 86 and name HG2 ))
3.700 1.700 1.700 peak 1423 weight 0.10000E+01 volume 0.41904E-03 ppm1 4.096 ppm2 2.478 CV 1
ASSI { 1424}
((resid 104 and name HB ))
( resid 104 and name HG2%)
2.000 0.500 0.500 peak 1424 weight 0.10000E+01 volume 0.13969E-01 ppm1 4.097 ppm2 1.263 CV 1
ASSI { 1427}
((resid 103 and name HA ))
((resid 104 and name HN ))
3.500 1.500 1.500 peak 1427 weight 0.10000E+01 volume 0.55528E-03 ppm1 4.301 ppm2 8.484 CV 1
ASSI { 1428}
((resid 103 and name HA ))
((resid 105 and name HN ))
3.700 1.700 1.700 peak 1428 weight 0.10000E+01 volume 0.40776E-03 ppm1 4.299 ppm2 8.136 CV 1
ASSI { 1429}
((resid 103 and name HA ))
((resid 106 and name HN ))
5.000 3.100 1.000 peak 1429 weight 0.10000E+01 volume 0.64635E-04 ppm1 4.300 ppm2 7.662 CV 1
ASSI { 1431}
((resid 103 and name HA ))
( resid 103 and name HD1%)
6.000 6.00 0.600 peak 1431 weight 0.10000E+01 volume 0.11563E-01 ppm1 4.296 ppm2 0.807 CV 1
ASSI { 1432}
((resid 103 and name HA ))
((resid 103 and name HB3 ))
2.000 0.500 0.500 peak 1432 weight 0.10000E+01 volume 0.15896E-01 ppm1 4.299 ppm2 1.714 CV 1
ASSI { 1433}
((resid 103 and name HB3 ))
((resid 103 and name HN ))
3.500 0.800 0.800 peak 1433 weight 0.10000E+01 volume 0.42461E-02 ppm1 1.732 ppm2 8.871 CV 1
ASSI { 1434}
((resid 103 and name HB3 ))
((resid 104 and name HN ))
2.800 1.000 1.000 peak 1434 weight 0.10000E+01 volume 0.19514E-02 ppm1 1.731 ppm2 8.478 CV 1
ASSI { 1439}
((resid 102 and name HB2 ))
((resid 102 and name HN ))
2.800 0.900 0.900 peak 1439 weight 0.10000E+01 volume 0.22962E-02 ppm1 4.209 ppm2 8.768 CV 1
ASSI { 1441}
((resid 102 and name HB2 ))
((resid 107 and name HN ))
4.000 2.000 2.000 peak 1441 weight 0.10000E+01 volume 0.23689E-03 ppm1 4.206 ppm2 7.924 CV 1
ASSI { 1443}
((resid 102 and name HB2 ))
((resid 105 and name HG1 ))
4.100 2.100 1.900 peak 1443 weight 0.10000E+01 volume 0.21200E-03 ppm1 4.209 ppm2 5.958 CV 1
ASSI { 1447}
((resid 102 and name HB2 ))
( resid 88 and name HD2%)
2.700 0.900 0.900 peak 1447 weight 0.10000E+01 volume 0.27045E-02 ppm1 4.209 ppm2 0.637 CV 1
ASSI { 1448}
((resid 102 and name HB2 ))
( resid 80 and name HD1%)
3.100 1.200 1.200 peak 1448 weight 0.10000E+01 volume 0.10280E-02 ppm1 4.209 ppm2 0.793 CV 1
ASSI { 1450}
((resid 102 and name HB3 ))
((resid 105 and name HN ))
3.300 1.300 1.300 peak 1450 weight 0.10000E+01 volume 0.80841E-03 ppm1 4.046 ppm2 8.124 CV 1
ASSI { 1452}
((resid 102 and name HB3 ))
((resid 106 and name HN ))
2.800 1.000 1.000 peak 1452 weight 0.10000E+01 volume 0.20148E-02 ppm1 4.047 ppm2 7.658 CV 1
ASSI { 1453}
((resid 102 and name HB3 ))
((resid 102 and name HB2 ))
1.900 0.400 0.400 peak 1453 weight 0.10000E+01 volume 0.23844E-01 ppm1 4.044 ppm2 4.201 CV 1
ASSI { 1455}
((resid 102 and name HB3 ))
( resid 88 and name HD2%)
2.900 1.100 1.100 peak 1455 weight 0.10000E+01 volume 0.16824E-02 ppm1 4.045 ppm2 0.634 CV 1
ASSI { 1457}
((resid 102 and name HB3 ))
( resid 105 and name HG2%)
3.500 1.500 1.500 peak 1457 weight 0.10000E+01 volume 0.55697E-03 ppm1 4.045 ppm2 1.257 CV 1
ASSI { 1459}
((resid 102 and name HB3 ))
((resid 101 and name HA ))
4.000 2.000 2.000 peak 1459 weight 0.10000E+01 volume 0.24045E-03 ppm1 4.043 ppm2 5.275 CV 1
ASSI { 1460}
((resid 102 and name HB3 ))
((resid 105 and name HG1 ))
3.500 1.500 1.500 peak 1460 weight 0.10000E+01 volume 0.56842E-03 ppm1 4.047 ppm2 5.954 CV 1
ASSI { 1461}
((resid 102 and name HB3 ))
((resid 106 and name HA1 ))
2.100 0.600 0.600 peak 1461 weight 0.10000E+01 volume 0.10144E-01 ppm1 4.045 ppm2 3.800 CV 1
ASSI { 1462}
((resid 102 and name HB2 ))
((resid 106 and name HA1 ))
2.400 0.700 0.700 peak 1462 weight 0.10000E+01 volume 0.53625E-02 ppm1 4.214 ppm2 3.803 CV 1
ASSI { 1465}
((resid 101 and name HG2 ))
((resid 101 and name HE21))
2.700 0.900 0.900 peak 1465 weight 0.10000E+01 volume 0.23071E-02 ppm1 2.121 ppm2 7.683 CV 1
ASSI { 1467}
((resid 101 and name HG2 ))
((resid 108 and name HA ))
3.800 1.800 1.800 peak 1467 weight 0.10000E+01 volume 0.35209E-03 ppm1 2.121 ppm2 5.693 CV 1
ASSI { 1468}
((resid 101 and name HG2 ))
((resid 101 and name HA ))
2.700 0.900 0.900 peak 1468 weight 0.10000E+01 volume 0.26133E-02 ppm1 2.121 ppm2 5.282 CV 1
ASSI { 1471}
((resid 101 and name HB3 ))
((resid 102 and name HN ))
3.200 1.300 1.300 peak 1471 weight 0.10000E+01 volume 0.94494E-03 ppm1 1.955 ppm2 8.761 CV 1
ASSI { 1472}
((resid 101 and name HB3 ))
((resid 101 and name HE21))
3.300 1.400 1.400 peak 1472 weight 0.10000E+01 volume 0.78582E-03 ppm1 1.954 ppm2 7.678 CV 1
ASSI { 1473}
((resid 101 and name HB3 ))
((resid 101 and name HE22))
4.200 2.200 1.800 peak 1473 weight 0.10000E+01 volume 0.17334E-03 ppm1 1.948 ppm2 6.736 CV 1
ASSI { 1474}
((resid 101 and name HB3 ))
((resid 108 and name HA ))
3.700 1.700 1.700 peak 1474 weight 0.10000E+01 volume 0.37884E-03 ppm1 1.948 ppm2 5.694 CV 1
ASSI { 1477}
((resid 101 and name HG3 ))
((resid 101 and name HA ))
3.600 1.600 1.600 peak 1477 weight 0.10000E+01 volume 0.45368E-03 ppm1 2.006 ppm2 5.264 CV 1
ASSI { 1481}
((resid 101 and name HG3 ))
((resid 101 and name HN ))
3.400 1.400 1.400 peak 1481 weight 0.10000E+01 volume 0.67960E-03 ppm1 2.007 ppm2 8.976 CV 1
ASSI { 1483}
((resid 101 and name HB2 ))
((resid 102 and name HN ))
3.100 1.200 1.200 peak 1483 weight 0.10000E+01 volume 0.11036E-02 ppm1 1.720 ppm2 8.754 CV 1
ASSI { 1484}
((resid 101 and name HB2 ))
((resid 101 and name HE21))
3.200 1.200 1.200 peak 1484 weight 0.10000E+01 volume 0.10003E-02 ppm1 1.719 ppm2 7.669 CV 1
ASSI { 1485}
((resid 101 and name HB2 ))
((resid 101 and name HE22))
4.200 2.200 1.800 peak 1485 weight 0.10000E+01 volume 0.17179E-03 ppm1 1.719 ppm2 6.749 CV 1
ASSI { 1486}
((resid 101 and name HB2 ))
((resid 108 and name HA ))
3.400 1.500 1.500 peak 1486 weight 0.10000E+01 volume 0.63475E-03 ppm1 1.719 ppm2 5.692 CV 1
ASSI { 1488}
((resid 101 and name HG2 ))
( resid 91 and name HD1%)
3.100 1.200 1.200 peak 1488 weight 0.10000E+01 volume 0.12289E-02 ppm1 2.123 ppm2 0.678 CV 1
ASSI { 1490}
((resid 101 and name HG2 ))
((resid 101 and name HB2 ))
2.200 0.600 0.600 peak 1490 weight 0.10000E+01 volume 0.82232E-02 ppm1 2.121 ppm2 1.714 CV 1
ASSI { 1491}
((resid 101 and name HG2 ))
((resid 101 and name HG3 ))
1.900 0.400 0.400 peak 1491 weight 0.10000E+01 volume 0.24307E-01 ppm1 2.126 ppm2 1.998 CV 1
ASSI { 1494}
((resid 101 and name HB3 ))
( resid 91 and name HD1%)
2.700 0.900 0.900 peak 1494 weight 0.10000E+01 volume 0.23813E-02 ppm1 1.953 ppm2 0.681 CV 1
ASSI { 1496}
((resid 101 and name HB3 ))
((resid 101 and name HB2 ))
1.900 0.400 0.400 peak 1496 weight 0.10000E+01 volume 0.23225E-01 ppm1 1.954 ppm2 1.715 CV 1
ASSI { 1498}
((resid 101 and name HB3 ))
((resid 101 and name HG2 ))
2.200 0.600 0.600 peak 1498 weight 0.10000E+01 volume 0.10049E-01 ppm1 1.949 ppm2 2.114 CV 1
ASSI { 1500}
((resid 101 and name HG3 ))
( resid 91 and name HD1%)
3.000 1.100 1.100 peak 1500 weight 0.10000E+01 volume 0.13972E-02 ppm1 2.005 ppm2 0.676 CV 1
ASSI { 1501}
((resid 101 and name HG3 ))
((resid 101 and name HB2 ))
2.300 0.700 0.700 peak 1501 weight 0.10000E+01 volume 0.61403E-02 ppm1 2.008 ppm2 1.713 CV 1
ASSI { 1503}
((resid 101 and name HB2 ))
( resid 91 and name HD1%)
2.500 0.800 0.800 peak 1503 weight 0.10000E+01 volume 0.44704E-02 ppm1 1.720 ppm2 0.677 CV 1
ASSI { 1507}
((resid 101 and name HG3 ))
((resid 108 and name HA ))
6.000 4.400 0.000 peak 1507 weight 0.10000E+01 volume 0.22267E-04 ppm1 2.007 ppm2 5.706 CV 1
ASSI { 1509}
((resid 99 and name HB2 ))
((resid 91 and name HN ))
4.500 2.500 1.500 peak 1509 weight 0.10000E+01 volume 0.12679E-03 ppm1 1.580 ppm2 9.226 CV 1
ASSI { 1511}
((resid 99 and name HB2 ))
((resid 92 and name HN ))
2.900 1.000 1.000 peak 1511 weight 0.10000E+01 volume 0.17520E-02 ppm1 1.575 ppm2 7.672 CV 1
ASSI { 1512}
((resid 99 and name HB2 ))
( resid 110 and name HD% )
3.700 1.700 1.700 peak 1512 weight 0.10000E+01 volume 0.40636E-03 ppm1 1.575 ppm2 7.391 CV 1
ASSI { 1517}
((resid 99 and name HB3 ))
((resid 91 and name HN ))
3.900 1.900 1.900 peak 1517 weight 0.10000E+01 volume 0.28823E-03 ppm1 1.663 ppm2 9.211 CV 1
ASSI { 1518}
((resid 99 and name HB3 ))
((resid 100 and name HN ))
3.900 1.900 1.900 peak 1518 weight 0.10000E+01 volume 0.27276E-03 ppm1 1.663 ppm2 9.413 CV 1
ASSI { 1519}
((resid 99 and name HG3 ))
((resid 100 and name HN ))
3.800 1.800 1.800 peak 1519 weight 0.10000E+01 volume 0.32998E-03 ppm1 1.361 ppm2 9.417 CV 1
ASSI { 1520}
((resid 99 and name HG3 ))
((resid 99 and name HN ))
3.600 1.600 1.600 peak 1520 weight 0.10000E+01 volume 0.43992E-03 ppm1 1.360 ppm2 8.724 CV 1
ASSI { 1521}
((resid 99 and name HG3 ))
( resid 110 and name HD% )
3.500 1.500 1.500 peak 1521 weight 0.10000E+01 volume 0.55435E-03 ppm1 1.360 ppm2 7.359 CV 1
ASSI { 1523}
((resid 99 and name HG3 ))
((resid 109 and name HA1 ))
4.000 2.000 2.000 peak 1523 weight 0.10000E+01 volume 0.24030E-03 ppm1 1.362 ppm2 3.930 CV 1
ASSI { 1525}
((resid 99 and name HD2 ))
((resid 110 and name HN ))
3.500 1.500 1.500 peak 1525 weight 0.10000E+01 volume 0.58218E-03 ppm1 1.098 ppm2 8.721 CV 1
ASSI { 1528}
((resid 99 and name HD3 ))
((resid 99 and name HN ))
3.300 1.300 1.300 peak 1528 weight 0.10000E+01 volume 0.82681E-03 ppm1 0.759 ppm2 8.728 CV 1
ASSI { 1529}
((resid 99 and name HD3 ))
((resid 100 and name HN ))
3.100 1.200 1.200 peak 1529 weight 0.10000E+01 volume 0.12186E-02 ppm1 0.761 ppm2 9.417 CV 1
ASSI { 1530}
((resid 99 and name HA ))
((resid 110 and name HA ))
2.200 0.600 0.600 peak 1530 weight 0.10000E+01 volume 0.79448E-02 ppm1 4.437 ppm2 5.642 CV 1
ASSI { 1531}
((resid 99 and name HA ))
((resid 99 and name HN ))
2.600 0.900 0.900 peak 1531 weight 0.10000E+01 volume 0.31375E-02 ppm1 4.435 ppm2 8.728 CV 1
ASSI { 1532}
((resid 99 and name HA ))
((resid 100 and name HN ))
2.000 0.500 0.500 peak 1532 weight 0.10000E+01 volume 0.14481E-01 ppm1 4.436 ppm2 9.419 CV 1
ASSI { 1533}
((resid 99 and name HA ))
((resid 111 and name HN ))
3.000 1.200 1.200 peak 1533 weight 0.10000E+01 volume 0.12486E-02 ppm1 4.436 ppm2 9.568 CV 1
ASSI { 1534}
((resid 99 and name HA ))
((resid 99 and name HD3 ))
2.500 0.800 0.800 peak 1534 weight 0.10000E+01 volume 0.42183E-02 ppm1 4.435 ppm2 0.751 CV 1
ASSI { 1535}
((resid 99 and name HA ))
((resid 99 and name HD2 ))
2.800 1.000 1.000 peak 1535 weight 0.10000E+01 volume 0.20751E-02 ppm1 4.434 ppm2 1.094 CV 1
ASSI { 1536}
((resid 99 and name HA ))
( resid 100 and name HB% )
3.400 1.400 1.400 peak 1536 weight 0.10000E+01 volume 0.64450E-03 ppm1 4.436 ppm2 1.223 CV 1
ASSI { 1537}
((resid 99 and name HA ))
((resid 99 and name HG3 ))
3.300 1.300 1.300 peak 1537 weight 0.10000E+01 volume 0.79727E-03 ppm1 4.437 ppm2 1.349 CV 1
ASSI { 1538}
((resid 99 and name HA ))
((resid 99 and name HB2 ))
2.500 0.800 0.800 peak 1538 weight 0.10000E+01 volume 0.44627E-02 ppm1 4.435 ppm2 1.572 CV 1
ASSI { 1539}
((resid 99 and name HA ))
((resid 99 and name HB3 ))
2.600 0.800 0.800 peak 1539 weight 0.10000E+01 volume 0.34977E-02 ppm1 4.437 ppm2 1.668 CV 1
ASSI { 1540}
((resid 99 and name HB2 ))
((resid 92 and name HB3 ))
3.000 1.100 1.100 peak 1540 weight 0.10000E+01 volume 0.13540E-02 ppm1 1.581 ppm2 2.041 CV 1
ASSI { 1541}
((resid 99 and name HB2 ))
((resid 92 and name HB2 ))
2.900 1.000 1.000 peak 1541 weight 0.10000E+01 volume 0.17690E-02 ppm1 1.579 ppm2 1.909 CV 1
ASSI { 1542}
((resid 99 and name HB2 ))
((resid 99 and name HB3 ))
1.900 0.400 0.400 peak 1542 weight 0.10000E+01 volume 0.24323E-01 ppm1 1.577 ppm2 1.658 CV 1
ASSI { 1544}
((resid 99 and name HB2 ))
((resid 99 and name HG3 ))
3.000 1.100 1.100 peak 1544 weight 0.10000E+01 volume 0.15004E-02 ppm1 1.581 ppm2 1.353 CV 1
ASSI { 1545}
((resid 99 and name HB2 ))
((resid 91 and name HB2 ))
3.400 1.400 1.400 peak 1545 weight 0.10000E+01 volume 0.65903E-03 ppm1 1.578 ppm2 1.238 CV 1
ASSI { 1549}
((resid 99 and name HB3 ))
((resid 99 and name HD2 ))
2.700 0.900 0.900 peak 1549 weight 0.10000E+01 volume 0.27076E-02 ppm1 1.662 ppm2 1.102 CV 1
ASSI { 1550}
((resid 99 and name HB3 ))
((resid 91 and name HB2 ))
2.800 1.000 1.000 peak 1550 weight 0.10000E+01 volume 0.20813E-02 ppm1 1.664 ppm2 1.241 CV 1
ASSI { 1556}
((resid 99 and name HG3 ))
((resid 99 and name HD3 ))
2.500 0.800 0.800 peak 1556 weight 0.10000E+01 volume 0.39029E-02 ppm1 1.362 ppm2 0.753 CV 1
ASSI { 1557}
((resid 99 and name HG3 ))
((resid 99 and name HD2 ))
2.200 0.600 0.600 peak 1557 weight 0.10000E+01 volume 0.92500E-02 ppm1 1.362 ppm2 1.091 CV 1
ASSI { 1560}
((resid 99 and name HG3 ))
((resid 99 and name HE3 ))
2.500 0.800 0.800 peak 1560 weight 0.10000E+01 volume 0.41425E-02 ppm1 1.363 ppm2 2.635 CV 1
ASSI { 1561}
((resid 99 and name HG3 ))
((resid 91 and name HG ))
2.200 0.600 0.600 peak 1561 weight 0.10000E+01 volume 0.82092E-02 ppm1 1.358 ppm2 1.463 CV 1
ASSI { 1562}
((resid 99 and name HG3 ))
((resid 99 and name HB3 ))
2.400 0.700 0.700 peak 1562 weight 0.10000E+01 volume 0.47224E-02 ppm1 1.363 ppm2 1.647 CV 1
ASSI { 1563}
((resid 99 and name HD2 ))
((resid 99 and name HD3 ))
1.800 0.400 0.400 peak 1563 weight 0.10000E+01 volume 0.25329E-01 ppm1 1.097 ppm2 0.756 CV 1
ASSI { 1567}
((resid 99 and name HD2 ))
((resid 99 and name HB2 ))
2.700 0.900 0.900 peak 1567 weight 0.10000E+01 volume 0.24911E-02 ppm1 1.098 ppm2 1.560 CV 1
ASSI { 1572}
((resid 99 and name HD3 ))
((resid 99 and name HB2 ))
2.500 0.800 0.800 peak 1572 weight 0.10000E+01 volume 0.45662E-02 ppm1 0.762 ppm2 1.557 CV 1
ASSI { 1573}
((resid 99 and name HD3 ))
((resid 99 and name HB3 ))
2.900 1.000 1.000 peak 1573 weight 0.10000E+01 volume 0.18586E-02 ppm1 0.764 ppm2 1.662 CV 1
ASSI { 1574}
((resid 99 and name HE3 ))
( resid 110 and name HD% )
3.500 1.500 1.500 peak 1574 weight 0.10000E+01 volume 0.55048E-03 ppm1 2.642 ppm2 7.344 CV 1
ASSI { 1575}
((resid 99 and name HE2 ))
( resid 110 and name HD% )
3.600 1.600 1.600 peak 1575 weight 0.10000E+01 volume 0.49837E-03 ppm1 2.575 ppm2 7.344 CV 1
ASSI { 1576}
((resid 99 and name HE3 ))
( resid 91 and name HD1%)
3.000 1.100 1.100 peak 1576 weight 0.10000E+01 volume 0.12955E-02 ppm1 2.644 ppm2 0.689 CV 1
ASSI { 1577}
((resid 99 and name HE2 ))
( resid 91 and name HD1%)
2.900 1.100 1.100 peak 1577 weight 0.10000E+01 volume 0.15602E-02 ppm1 2.574 ppm2 0.687 CV 1
ASSI { 1578}
((resid 99 and name HE2 ))
((resid 99 and name HD3 ))
2.800 1.000 1.000 peak 1578 weight 0.10000E+01 volume 0.19236E-02 ppm1 2.574 ppm2 0.760 CV 1
ASSI { 1579}
((resid 99 and name HE3 ))
((resid 99 and name HD3 ))
3.400 1.400 1.400 peak 1579 weight 0.10000E+01 volume 0.67604E-03 ppm1 2.646 ppm2 0.760 CV 1
ASSI { 1580}
((resid 99 and name HE3 ))
((resid 99 and name HD2 ))
3.300 1.400 1.400 peak 1580 weight 0.10000E+01 volume 0.79109E-03 ppm1 2.645 ppm2 1.096 CV 1
ASSI { 1581}
((resid 99 and name HE2 ))
((resid 99 and name HD2 ))
3.200 1.300 1.300 peak 1581 weight 0.10000E+01 volume 0.86979E-03 ppm1 2.577 ppm2 1.094 CV 1
ASSI { 1582}
((resid 99 and name HE2 ))
((resid 99 and name HG3 ))
2.500 0.800 0.800 peak 1582 weight 0.10000E+01 volume 0.36431E-02 ppm1 2.572 ppm2 1.355 CV 1
ASSI { 1584}
((resid 99 and name HE3 ))
((resid 99 and name HB2 ))
3.700 1.700 1.700 peak 1584 weight 0.10000E+01 volume 0.42168E-03 ppm1 2.646 ppm2 1.559 CV 1
ASSI { 1585}
((resid 99 and name HE2 ))
((resid 99 and name HB2 ))
3.300 1.400 1.400 peak 1585 weight 0.10000E+01 volume 0.78274E-03 ppm1 2.574 ppm2 1.555 CV 1
ASSI { 1586}
((resid 99 and name HE2 ))
((resid 108 and name HB3 ))
3.600 1.600 1.600 peak 1586 weight 0.10000E+01 volume 0.45090E-03 ppm1 2.578 ppm2 1.805 CV 1
ASSI { 1587}
((resid 99 and name HE3 ))
((resid 108 and name HB3 ))
3.700 1.700 1.700 peak 1587 weight 0.10000E+01 volume 0.38502E-03 ppm1 2.645 ppm2 1.814 CV 1
ASSI { 1588}
((resid 97 and name HB3 ))
((resid 98 and name HN ))
3.100 1.200 1.200 peak 1588 weight 0.10000E+01 volume 0.12171E-02 ppm1 2.947 ppm2 9.014 CV 1
ASSI { 1589}
((resid 97 and name HB3 ))
((resid 97 and name HN ))
2.700 0.900 0.900 peak 1589 weight 0.10000E+01 volume 0.26364E-02 ppm1 2.945 ppm2 7.747 CV 1
ASSI { 1590}
((resid 97 and name HB3 ))
((resid 97 and name HE3 ))
2.900 1.100 1.100 peak 1590 weight 0.10000E+01 volume 0.16654E-02 ppm1 2.947 ppm2 7.131 CV 1
ASSI { 1593}
((resid 96 and name HG3 ))
((resid 96 and name HN ))
3.200 1.300 1.300 peak 1593 weight 0.10000E+01 volume 0.96551E-03 ppm1 1.746 ppm2 8.632 CV 1
ASSI { 1594}
((resid 96 and name HG3 ))
((resid 97 and name HN ))
4.200 2.200 1.800 peak 1594 weight 0.10000E+01 volume 0.18292E-03 ppm1 1.747 ppm2 7.743 CV 1
ASSI { 1597}
((resid 96 and name HG3 ))
( resid 113 and name HD% )
3.600 1.600 1.600 peak 1597 weight 0.10000E+01 volume 0.45430E-03 ppm1 1.744 ppm2 6.914 CV 1
ASSI { 1601}
((resid 96 and name HG2 ))
((resid 96 and name HN ))
3.200 1.300 1.300 peak 1601 weight 0.10000E+01 volume 0.96458E-03 ppm1 1.972 ppm2 8.630 CV 1
ASSI { 1602}
((resid 96 and name HG2 ))
((resid 97 and name HN ))
4.300 2.400 1.700 peak 1602 weight 0.10000E+01 volume 0.14767E-03 ppm1 1.973 ppm2 7.750 CV 1
ASSI { 1604}
((resid 96 and name HG2 ))
((resid 97 and name HD1 ))
4.000 2.000 2.000 peak 1604 weight 0.10000E+01 volume 0.24416E-03 ppm1 1.975 ppm2 7.090 CV 1
ASSI { 1605}
((resid 96 and name HG2 ))
( resid 113 and name HD% )
3.700 1.700 1.700 peak 1605 weight 0.10000E+01 volume 0.38348E-03 ppm1 1.974 ppm2 6.910 CV 1
ASSI { 1608}
((resid 96 and name HG2 ))
((resid 96 and name HB3 ))
1.800 0.400 0.400 peak 1608 weight 0.10000E+01 volume 0.34529E-01 ppm1 1.973 ppm2 1.729 CV 1
OR { 1608}
((resid 96 and name HG2 ))
((resid 96 and name HB2 ))
ASSI { 1610}
((resid 96 and name HB3 ))
((resid 96 and name HN ))
3.000 1.100 1.100 peak 1610 weight 0.10000E+01 volume 0.13166E-02 ppm1 1.711 ppm2 8.625 CV 1
ASSI { 1613}
((resid 96 and name HB3 ))
((resid 97 and name HD1 ))
3.700 1.700 1.700 peak 1613 weight 0.10000E+01 volume 0.36524E-03 ppm1 1.706 ppm2 7.091 CV 1
ASSI { 1614}
((resid 96 and name HB3 ))
( resid 113 and name HD% )
3.500 1.500 1.500 peak 1614 weight 0.10000E+01 volume 0.55141E-03 ppm1 1.711 ppm2 6.910 CV 1
ASSI { 1619}
((resid 95 and name HA2 ))
((resid 96 and name HB3 ))
3.600 1.600 1.600 peak 1619 weight 0.10000E+01 volume 0.49296E-03 ppm1 3.760 ppm2 1.714 CV 1
OR { 1619}
((resid 95 and name HA2 ))
((resid 96 and name HB2 ))
ASSI { 1620}
((resid 95 and name HA2 ))
((resid 96 and name HG2 ))
4.500 2.500 1.500 peak 1620 weight 0.10000E+01 volume 0.12510E-03 ppm1 3.759 ppm2 1.961 CV 1
ASSI { 1621}
((resid 95 and name HA1 ))
((resid 96 and name HB3 ))
3.800 1.800 1.800 peak 1621 weight 0.10000E+01 volume 0.34374E-03 ppm1 4.071 ppm2 1.707 CV 1
OR { 1621}
((resid 95 and name HA1 ))
((resid 96 and name HB2 ))
ASSI { 1622}
((resid 95 and name HA1 ))
((resid 96 and name HG2 ))
4.000 2.000 2.000 peak 1622 weight 0.10000E+01 volume 0.25313E-03 ppm1 4.070 ppm2 1.968 CV 1
ASSI { 1623}
((resid 95 and name HA1 ))
((resid 97 and name HN ))
3.200 1.300 1.300 peak 1623 weight 0.10000E+01 volume 0.94030E-03 ppm1 4.072 ppm2 7.746 CV 1
ASSI { 1624}
((resid 95 and name HA1 ))
((resid 96 and name HN ))
2.400 0.700 0.700 peak 1624 weight 0.10000E+01 volume 0.46667E-02 ppm1 4.073 ppm2 8.630 CV 1
ASSI { 1629}
((resid 94 and name HA ))
((resid 94 and name HB2 ))
2.400 0.700 0.700 peak 1629 weight 0.10000E+01 volume 0.56965E-02 ppm1 4.598 ppm2 3.846 CV 1
ASSI { 1632}
((resid 94 and name HB2 ))
((resid 92 and name HG2 ))
3.900 1.900 1.900 peak 1632 weight 0.10000E+01 volume 0.29302E-03 ppm1 3.848 ppm2 2.226 CV 1
ASSI { 1633}
((resid 94 and name HB2 ))
((resid 92 and name HG3 ))
3.900 1.900 1.900 peak 1633 weight 0.10000E+01 volume 0.27060E-03 ppm1 3.850 ppm2 2.143 CV 1
ASSI { 1634}
((resid 94 and name HB2 ))
((resid 92 and name HB3 ))
3.800 1.800 1.800 peak 1634 weight 0.10000E+01 volume 0.34390E-03 ppm1 3.849 ppm2 2.036 CV 1
ASSI { 1639}
((resid 93 and name HB3 ))
((resid 93 and name HE22))
3.900 1.900 1.900 peak 1639 weight 0.10000E+01 volume 0.28142E-03 ppm1 1.144 ppm2 5.906 CV 1
ASSI { 1641}
((resid 93 and name HB3 ))
((resid 90 and name HB ))
3.300 1.400 1.400 peak 1641 weight 0.10000E+01 volume 0.75536E-03 ppm1 1.145 ppm2 1.979 CV 1
ASSI { 1646}
((resid 93 and name HB2 ))
((resid 98 and name HE1 ))
4.200 2.200 1.800 peak 1646 weight 0.10000E+01 volume 0.19112E-03 ppm1 0.968 ppm2 9.515 CV 1
ASSI { 1648}
((resid 93 and name HB2 ))
((resid 94 and name HN ))
4.100 2.100 1.900 peak 1648 weight 0.10000E+01 volume 0.20442E-03 ppm1 0.967 ppm2 8.156 CV 1
ASSI { 1649}
((resid 93 and name HB2 ))
((resid 98 and name HD1 ))
4.200 2.200 1.800 peak 1649 weight 0.10000E+01 volume 0.18092E-03 ppm1 0.970 ppm2 6.878 CV 1
ASSI { 1650}
((resid 93 and name HB2 ))
((resid 93 and name HE22))
4.400 2.400 1.600 peak 1650 weight 0.10000E+01 volume 0.13391E-03 ppm1 0.972 ppm2 5.899 CV 1
ASSI { 1653}
((resid 93 and name HB2 ))
((resid 93 and name HB3 ))
1.800 0.400 0.400 peak 1653 weight 0.10000E+01 volume 0.27184E-01 ppm1 0.970 ppm2 1.137 CV 1
ASSI { 1655}
((resid 93 and name HB2 ))
((resid 93 and name HG2 ))
2.300 0.600 0.600 peak 1655 weight 0.10000E+01 volume 0.71408E-02 ppm1 0.970 ppm2 0.788 CV 1
ASSI { 1656}
((resid 93 and name HB2 ))
( resid 90 and name HG2%)
2.800 1.000 1.000 peak 1656 weight 0.10000E+01 volume 0.19406E-02 ppm1 0.969 ppm2 0.544 CV 1
ASSI { 1657}
((resid 93 and name HG2 ))
((resid 93 and name HN ))
3.300 1.400 1.400 peak 1657 weight 0.10000E+01 volume 0.77393E-03 ppm1 0.973 ppm2 8.578 CV 1
ASSI { 1659}
((resid 93 and name HG2 ))
((resid 98 and name HE3 ))
4.200 2.200 1.800 peak 1659 weight 0.10000E+01 volume 0.19236E-03 ppm1 0.972 ppm2 7.227 CV 1
ASSI { 1660}
((resid 93 and name HG2 ))
((resid 93 and name HE21))
4.000 2.000 2.000 peak 1660 weight 0.10000E+01 volume 0.25762E-03 ppm1 0.973 ppm2 6.511 CV 1
ASSI { 1661}
((resid 93 and name HG2 ))
((resid 93 and name HE22))
3.900 1.900 1.900 peak 1661 weight 0.10000E+01 volume 0.26751E-03 ppm1 0.971 ppm2 5.899 CV 1
ASSI { 1662}
((resid 93 and name HG2 ))
((resid 93 and name HA ))
2.900 1.000 1.000 peak 1662 weight 0.10000E+01 volume 0.17690E-02 ppm1 0.972 ppm2 3.585 CV 1
ASSI { 1663}
((resid 93 and name HG2 ))
((resid 93 and name HB3 ))
2.000 0.500 0.500 peak 1663 weight 0.10000E+01 volume 0.15387E-01 ppm1 0.973 ppm2 1.136 CV 1
ASSI { 1668}
((resid 93 and name HG3 ))
((resid 93 and name HN ))
3.500 1.500 1.500 peak 1668 weight 0.10000E+01 volume 0.57987E-03 ppm1 0.805 ppm2 8.578 CV 1
ASSI { 1670}
((resid 93 and name HG3 ))
((resid 98 and name HE3 ))
4.400 2.400 1.600 peak 1670 weight 0.10000E+01 volume 0.13468E-03 ppm1 0.807 ppm2 7.221 CV 1
ASSI { 1671}
((resid 93 and name HG3 ))
((resid 93 and name HE21))
3.500 1.500 1.500 peak 1671 weight 0.10000E+01 volume 0.54677E-03 ppm1 0.801 ppm2 6.509 CV 1
ASSI { 1672}
((resid 93 and name HG3 ))
((resid 93 and name HE22))
3.500 1.500 1.500 peak 1672 weight 0.10000E+01 volume 0.58249E-03 ppm1 0.800 ppm2 5.915 CV 1
ASSI { 1674}
((resid 93 and name HG2 ))
((resid 92 and name HG3 ))
3.200 1.300 1.300 peak 1674 weight 0.10000E+01 volume 0.86314E-03 ppm1 0.803 ppm2 2.127 CV 1
ASSI { 1675}
((resid 93 and name HG3 ))
((resid 93 and name HB3 ))
2.300 0.600 0.600 peak 1675 weight 0.10000E+01 volume 0.71160E-02 ppm1 0.803 ppm2 1.132 CV 1
ASSI { 1680}
((resid 92 and name HB2 ))
((resid 99 and name HN ))
3.000 1.100 1.100 peak 1680 weight 0.10000E+01 volume 0.14707E-02 ppm1 1.915 ppm2 8.707 CV 1
ASSI { 1682}
((resid 92 and name HB2 ))
((resid 92 and name HN ))
2.800 1.000 1.000 peak 1682 weight 0.10000E+01 volume 0.18633E-02 ppm1 1.918 ppm2 7.670 CV 1
ASSI { 1686}
((resid 92 and name HB2 ))
((resid 92 and name HA ))
2.700 0.900 0.900 peak 1686 weight 0.10000E+01 volume 0.25931E-02 ppm1 1.913 ppm2 4.296 CV 1
ASSI { 1689}
((resid 91 and name HB3 ))
((resid 100 and name HA ))
3.700 1.700 1.700 peak 1689 weight 0.10000E+01 volume 0.38812E-03 ppm1 1.565 ppm2 5.449 CV 1
ASSI { 1690}
((resid 91 and name HB3 ))
((resid 91 and name HA ))
2.500 0.800 0.800 peak 1690 weight 0.10000E+01 volume 0.37667E-02 ppm1 1.565 ppm2 4.333 CV 1
ASSI { 1691}
((resid 91 and name HB3 ))
((resid 92 and name HG3 ))
3.800 1.800 1.800 peak 1691 weight 0.10000E+01 volume 0.30802E-03 ppm1 1.567 ppm2 2.134 CV 1
ASSI { 1692}
((resid 91 and name HB3 ))
( resid 91 and name HD1%)
2.200 0.600 0.600 peak 1692 weight 0.10000E+01 volume 0.80361E-02 ppm1 1.565 ppm2 0.675 CV 1
OR { 1692}
((resid 91 and name HB3 ))
( resid 91 and name HD2%)
ASSI { 1696}
((resid 91 and name HB2 ))
((resid 91 and name HA ))
2.600 0.800 0.800 peak 1696 weight 0.10000E+01 volume 0.35209E-02 ppm1 1.244 ppm2 4.338 CV 1
ASSI { 1697}
((resid 91 and name HB2 ))
((resid 92 and name HG3 ))
3.900 1.900 1.900 peak 1697 weight 0.10000E+01 volume 0.27524E-03 ppm1 1.246 ppm2 2.135 CV 1
ASSI { 1698}
((resid 91 and name HB2 ))
((resid 100 and name HA ))
5.800 1.700 1.700 peak 1698 weight 0.10000E+01 volume 0.42075E-03 ppm1 1.244 ppm2 5.453 CV 1
ASSI { 1699}
((resid 91 and name HB2 ))
( resid 91 and name HD1%)
2.100 0.600 0.600 peak 1699 weight 0.10000E+01 volume 0.11508E-01 ppm1 1.241 ppm2 0.669 CV 1
ASSI { 1700}
((resid 91 and name HB2 ))
((resid 91 and name HB3 ))
1.700 0.400 0.500 peak 1700 weight 0.10000E+01 volume 0.44642E-01 ppm1 1.242 ppm2 1.555 CV 1
ASSI { 1703}
((resid 91 and name HG ))
((resid 101 and name HN ))
3.100 1.200 1.200 peak 1703 weight 0.10000E+01 volume 0.10600E-02 ppm1 1.463 ppm2 8.967 CV 1
ASSI { 1704}
((resid 91 and name HG ))
((resid 92 and name HN ))
3.700 1.700 1.700 peak 1704 weight 0.10000E+01 volume 0.39601E-03 ppm1 1.460 ppm2 7.665 CV 1
ASSI { 1705}
((resid 91 and name HG ))
((resid 100 and name HA ))
2.600 0.900 0.900 peak 1705 weight 0.10000E+01 volume 0.31513E-02 ppm1 1.462 ppm2 5.446 CV 1
ASSI { 1706}
((resid 91 and name HG ))
((resid 91 and name HA ))
2.500 0.800 0.800 peak 1706 weight 0.10000E+01 volume 0.42493E-02 ppm1 1.466 ppm2 4.332 CV 1
ASSI { 1707}
((resid 91 and name HG ))
((resid 90 and name HA ))
3.000 1.100 1.100 peak 1707 weight 0.10000E+01 volume 0.13363E-02 ppm1 1.468 ppm2 4.243 CV 1
ASSI { 1709}
((resid 91 and name HA ))
((resid 92 and name HN ))
3.000 1.100 1.100 peak 1709 weight 0.10000E+01 volume 0.14096E-02 ppm1 4.348 ppm2 7.672 CV 1
ASSI { 1711}
((resid 90 and name HG13))
((resid 98 and name HE3 ))
2.900 1.100 1.100 peak 1711 weight 0.10000E+01 volume 0.16175E-02 ppm1 1.270 ppm2 7.220 CV 1
ASSI { 1712}
((resid 90 and name HG13))
((resid 98 and name HZ3 ))
3.400 1.500 1.500 peak 1712 weight 0.10000E+01 volume 0.59718E-03 ppm1 1.269 ppm2 6.882 CV 1
ASSI { 1713}
((resid 90 and name HG13))
((resid 90 and name HA ))
3.400 1.500 1.500 peak 1713 weight 0.10000E+01 volume 0.59996E-03 ppm1 1.269 ppm2 4.253 CV 1
ASSI { 1715}
((resid 90 and name HG13))
((resid 90 and name HG12))
1.700 0.400 0.500 peak 1715 weight 0.10000E+01 volume 0.35054E-01 ppm1 1.272 ppm2 1.560 CV 1
ASSI { 1716}
((resid 90 and name HG13))
( resid 90 and name HD1%)
2.100 0.500 0.500 peak 1716 weight 0.10000E+01 volume 0.12693E-01 ppm1 1.268 ppm2 0.749 CV 1
ASSI { 1719}
((resid 90 and name HG12))
((resid 98 and name HE3 ))
3.400 1.500 1.500 peak 1719 weight 0.10000E+01 volume 0.60661E-03 ppm1 1.572 ppm2 7.216 CV 1
ASSI { 1720}
((resid 90 and name HG12))
( resid 90 and name HG2%)
2.300 0.700 0.700 peak 1720 weight 0.10000E+01 volume 0.68563E-02 ppm1 1.571 ppm2 0.568 CV 1
ASSI { 1726}
((resid 90 and name HB ))
((resid 64 and name HD21))
3.400 1.500 1.500 peak 1726 weight 0.10000E+01 volume 0.60460E-03 ppm1 1.973 ppm2 7.326 CV 1
ASSI { 1729}
((resid 90 and name HB ))
((resid 64 and name HB2 ))
2.700 0.900 0.900 peak 1729 weight 0.10000E+01 volume 0.24370E-02 ppm1 1.972 ppm2 2.967 CV 1
ASSI { 1731}
((resid 90 and name HB ))
( resid 90 and name HG2%)
2.100 0.600 0.600 peak 1731 weight 0.10000E+01 volume 0.11174E-01 ppm1 1.972 ppm2 0.543 CV 1
ASSI { 1733}
((resid 90 and name HB ))
((resid 90 and name HG13))
2.300 0.600 0.600 peak 1733 weight 0.10000E+01 volume 0.72521E-02 ppm1 1.970 ppm2 1.264 CV 1
ASSI { 1734}
((resid 90 and name HB ))
((resid 90 and name HG12))
2.400 0.700 0.700 peak 1734 weight 0.10000E+01 volume 0.47409E-02 ppm1 1.971 ppm2 1.565 CV 1
ASSI { 1736}
((resid 89 and name HD2 ))
((resid 101 and name HN ))
4.200 2.200 1.800 peak 1736 weight 0.10000E+01 volume 0.17349E-03 ppm1 3.171 ppm2 8.954 CV 1
ASSI { 1737}
((resid 89 and name HD2 ))
((resid 89 and name HE ))
2.700 0.900 0.900 peak 1737 weight 0.10000E+01 volume 0.25669E-02 ppm1 3.173 ppm2 7.591 CV 1
ASSI { 1738}
((resid 89 and name HD3 ))
((resid 89 and name HE ))
2.800 1.000 1.000 peak 1738 weight 0.10000E+01 volume 0.19174E-02 ppm1 3.126 ppm2 7.590 CV 1
ASSI { 1739}
((resid 89 and name HD3 ))
((resid 101 and name HE22))
2.800 1.000 1.000 peak 1739 weight 0.10000E+01 volume 0.19313E-02 ppm1 3.126 ppm2 6.767 CV 1
ASSI { 1740}
((resid 89 and name HD2 ))
((resid 101 and name HE22))
2.800 1.000 1.000 peak 1740 weight 0.10000E+01 volume 0.21834E-02 ppm1 3.172 ppm2 6.767 CV 1
ASSI { 1741}
((resid 89 and name HD2 ))
( resid 91 and name HD2%)
4.00 1.000 1.000 peak 1741 weight 0.10000E+01 volume 0.29503E-02 ppm1 3.168 ppm2 0.670 CV 1
ASSI { 1744}
((resid 89 and name HD3 ))
((resid 89 and name HG2 ))
2.700 0.900 0.900 peak 1744 weight 0.10000E+01 volume 0.28096E-02 ppm1 3.129 ppm2 1.282 CV 1
ASSI { 1745}
((resid 89 and name HD2 ))
( resid 103 and name HD2%)
3.200 1.300 1.300 peak 1745 weight 0.10000E+01 volume 0.94309E-03 ppm1 3.169 ppm2 0.802 CV 1
ASSI { 1746}
((resid 89 and name HD3 ))
( resid 103 and name HD2%)
3.100 1.200 1.200 peak 1746 weight 0.10000E+01 volume 0.11240E-02 ppm1 3.127 ppm2 0.802 CV 1
ASSI { 1747}
((resid 89 and name HD2 ))
((resid 89 and name HG3 ))
2.400 0.700 0.700 peak 1747 weight 0.10000E+01 volume 0.52373E-02 ppm1 3.172 ppm2 1.443 CV 1
ASSI { 1748}
((resid 89 and name HD3 ))
((resid 89 and name HG3 ))
2.700 0.900 0.900 peak 1748 weight 0.10000E+01 volume 0.27107E-02 ppm1 3.126 ppm2 1.448 CV 1
ASSI { 1749}
((resid 89 and name HD2 ))
((resid 101 and name HB3 ))
6.00 1.300 1.300 peak 1749 weight 0.10000E+01 volume 0.87644E-03 ppm1 3.170 ppm2 1.951 CV 1
ASSI { 1750}
((resid 89 and name HD3 ))
((resid 101 and name HB3 ))
3.600 1.600 1.600 peak 1750 weight 0.10000E+01 volume 0.46853E-03 ppm1 3.121 ppm2 1.951 CV 1
ASSI { 1752}
((resid 89 and name HD3 ))
((resid 89 and name HD2 ))
1.400 0.200 0.800 peak 1752 weight 0.10000E+01 volume 0.16375E+00 ppm1 3.123 ppm2 3.138 CV 1
ASSI { 1754}
((resid 89 and name HG2 ))
((resid 89 and name HN ))
3.200 1.300 1.300 peak 1754 weight 0.10000E+01 volume 0.89252E-03 ppm1 1.287 ppm2 8.752 CV 1
ASSI { 1755}
((resid 89 and name HG2 ))
((resid 89 and name HE ))
3.500 1.500 1.500 peak 1755 weight 0.10000E+01 volume 0.58930E-03 ppm1 1.284 ppm2 7.580 CV 1
ASSI { 1756}
((resid 89 and name HG2 ))
((resid 89 and name HD2 ))
2.300 0.600 0.600 peak 1756 weight 0.10000E+01 volume 0.74918E-02 ppm1 1.288 ppm2 3.151 CV 1
ASSI { 1760}
((resid 89 and name HG2 ))
((resid 89 and name HG3 ))
1.800 0.400 0.400 peak 1760 weight 0.10000E+01 volume 0.34096E-01 ppm1 1.286 ppm2 1.454 CV 1
ASSI { 1761}
((resid 89 and name HG2 ))
((resid 89 and name HB3 ))
2.200 0.600 0.600 peak 1761 weight 0.10000E+01 volume 0.84737E-02 ppm1 1.286 ppm2 1.672 CV 1
ASSI { 1762}
((resid 89 and name HG2 ))
((resid 89 and name HB2 ))
2.400 0.700 0.700 peak 1762 weight 0.10000E+01 volume 0.46497E-02 ppm1 1.286 ppm2 1.587 CV 1
ASSI { 1763}
((resid 89 and name HG2 ))
((resid 101 and name HB3 ))
3.100 1.200 1.200 peak 1763 weight 0.10000E+01 volume 0.10525E-02 ppm1 1.286 ppm2 1.957 CV 1
ASSI { 1764}
((resid 89 and name HB2 ))
((resid 90 and name HN ))
3.500 1.000 1.000 peak 1764 weight 0.10000E+01 volume 0.18617E-02 ppm1 1.614 ppm2 8.958 CV 1
ASSI { 1767}
((resid 89 and name HB2 ))
((resid 89 and name HE ))
3.500 1.500 1.500 peak 1767 weight 0.10000E+01 volume 0.53703E-03 ppm1 1.612 ppm2 7.597 CV 1
ASSI { 1768}
((resid 89 and name HB3 ))
((resid 101 and name HN ))
3.100 1.200 1.200 peak 1768 weight 0.10000E+01 volume 0.10382E-02 ppm1 1.680 ppm2 8.960 CV 1
ASSI { 1771}
((resid 89 and name HB3 ))
((resid 89 and name HE ))
3.900 1.900 1.900 peak 1771 weight 0.10000E+01 volume 0.27478E-03 ppm1 1.680 ppm2 7.594 CV 1
ASSI { 1772}
((resid 89 and name HB3 ))
((resid 89 and name HA ))
3.100 1.200 1.200 peak 1772 weight 0.10000E+01 volume 0.11064E-02 ppm1 1.675 ppm2 4.994 CV 1
ASSI { 1775}
((resid 89 and name HB2 ))
((resid 89 and name HD2 ))
2.600 0.800 0.800 peak 1775 weight 0.10000E+01 volume 0.34111E-02 ppm1 1.612 ppm2 3.131 CV 1
ASSI { 1776}
((resid 89 and name HB3 ))
((resid 89 and name HD2 ))
2.500 0.800 0.800 peak 1776 weight 0.10000E+01 volume 0.38750E-02 ppm1 1.677 ppm2 3.131 CV 1
ASSI { 1779}
((resid 89 and name HB3 ))
( resid 91 and name HD2%)
3.400 1.500 1.500 peak 1779 weight 0.10000E+01 volume 0.60042E-03 ppm1 1.612 ppm2 0.670 CV 1
ASSI { 1780}
((resid 89 and name HB2 ))
( resid 103 and name HD2%)
2.400 0.700 0.700 peak 1780 weight 0.10000E+01 volume 0.58558E-02 ppm1 1.611 ppm2 0.797 CV 1
ASSI { 1781}
((resid 89 and name HB3 ))
( resid 103 and name HD2%)
2.700 0.900 0.900 peak 1781 weight 0.10000E+01 volume 0.27338E-02 ppm1 1.676 ppm2 0.791 CV 1
ASSI { 1787}
((resid 89 and name HB2 ))
((resid 89 and name HB3 ))
1.700 0.400 0.500 peak 1787 weight 0.10000E+01 volume 0.35256E-01 ppm1 1.610 ppm2 1.669 CV 1
ASSI { 1792}
((resid 88 and name HG ))
((resid 86 and name HG3 ))
3.300 1.400 1.400 peak 1792 weight 0.10000E+01 volume 0.72738E-03 ppm1 1.334 ppm2 2.364 CV 1
ASSI { 1793}
((resid 88 and name HB2 ))
((resid 88 and name HN ))
2.500 0.800 0.800 peak 1793 weight 0.10000E+01 volume 0.39616E-02 ppm1 1.164 ppm2 8.758 CV 1
ASSI { 1794}
((resid 88 and name HB3 ))
((resid 88 and name HN ))
3.500 0.900 0.900 peak 1794 weight 0.10000E+01 volume 0.23535E-02 ppm1 1.096 ppm2 8.757 CV 1
ASSI { 1795}
((resid 88 and name HB3 ))
((resid 101 and name HN ))
3.300 1.400 1.400 peak 1795 weight 0.10000E+01 volume 0.70929E-03 ppm1 1.091 ppm2 8.961 CV 1
ASSI { 1797}
((resid 88 and name HB2 ))
((resid 66 and name HN ))
3.800 1.800 1.800 peak 1797 weight 0.10000E+01 volume 0.33647E-03 ppm1 1.161 ppm2 9.052 CV 1
ASSI { 1800}
((resid 87 and name HG2 ))
((resid 88 and name HN ))
3.400 1.400 1.400 peak 1800 weight 0.10000E+01 volume 0.67125E-03 ppm1 2.099 ppm2 8.775 CV 1
ASSI { 1801}
((resid 87 and name HG2 ))
((resid 87 and name HN ))
3.100 1.200 1.200 peak 1801 weight 0.10000E+01 volume 0.11069E-02 ppm1 2.098 ppm2 8.425 CV 1
ASSI { 1804}
((resid 87 and name HG2 ))
((resid 87 and name HA ))
2.600 0.900 0.900 peak 1804 weight 0.10000E+01 volume 0.29364E-02 ppm1 2.097 ppm2 5.233 CV 1
ASSI { 1805}
((resid 87 and name HG2 ))
( resid 67 and name HG2%)
3.100 1.200 1.200 peak 1805 weight 0.10000E+01 volume 0.12300E-02 ppm1 2.096 ppm2 0.766 CV 1
ASSI { 1806}
((resid 87 and name HG2 ))
( resid 67 and name HD1%)
2.900 1.000 1.000 peak 1806 weight 0.10000E+01 volume 0.17041E-02 ppm1 2.099 ppm2 0.817 CV 1
ASSI { 1809}
((resid 87 and name HG2 ))
((resid 67 and name HG13))
3.300 1.400 1.400 peak 1809 weight 0.10000E+01 volume 0.73356E-03 ppm1 2.097 ppm2 1.359 CV 1
ASSI { 1811}
((resid 87 and name HG2 ))
((resid 87 and name HB2 ))
2.500 0.800 0.800 peak 1811 weight 0.10000E+01 volume 0.45353E-02 ppm1 2.097 ppm2 2.000 CV 1
ASSI { 1812}
((resid 87 and name HG2 ))
((resid 87 and name HB3 ))
1.800 0.400 0.400 peak 1812 weight 0.10000E+01 volume 0.33724E-01 ppm1 2.099 ppm2 2.092 CV 1
ASSI { 1813}
((resid 87 and name HG2 ))
((resid 87 and name HG3 ))
1.800 0.400 0.400 peak 1813 weight 0.10000E+01 volume 0.26535E-01 ppm1 2.097 ppm2 2.458 CV 1
ASSI { 1814}
((resid 87 and name HG3 ))
((resid 88 and name HN ))
3.300 1.400 1.400 peak 1814 weight 0.10000E+01 volume 0.71455E-03 ppm1 2.461 ppm2 8.766 CV 1
ASSI { 1815}
((resid 87 and name HG3 ))
((resid 87 and name HN ))
3.000 1.100 1.100 peak 1815 weight 0.10000E+01 volume 0.14560E-02 ppm1 2.464 ppm2 8.423 CV 1
ASSI { 1816}
((resid 87 and name HG3 ))
((resid 87 and name HE21))
2.800 1.000 1.000 peak 1816 weight 0.10000E+01 volume 0.19437E-02 ppm1 2.461 ppm2 7.122 CV 1
ASSI { 1817}
((resid 87 and name HG3 ))
((resid 87 and name HE22))
3.600 1.600 1.600 peak 1817 weight 0.10000E+01 volume 0.48445E-03 ppm1 2.462 ppm2 6.717 CV 1
ASSI { 1818}
((resid 87 and name HG3 ))
((resid 87 and name HA ))
2.700 0.900 0.900 peak 1818 weight 0.10000E+01 volume 0.23164E-02 ppm1 2.460 ppm2 5.231 CV 1
ASSI { 1819}
((resid 87 and name HG3 ))
((resid 86 and name HA ))
3.400 1.500 1.500 peak 1819 weight 0.10000E+01 volume 0.59424E-03 ppm1 2.464 ppm2 4.179 CV 1
ASSI { 1822}
((resid 87 and name HG3 ))
((resid 87 and name HB3 ))
2.800 0.400 0.400 peak 1822 weight 0.10000E+01 volume 0.31235E-01 ppm1 2.461 ppm2 2.080 CV 1
ASSI { 1825}
((resid 87 and name HG3 ))
((resid 67 and name HB ))
4.100 2.100 1.900 peak 1825 weight 0.10000E+01 volume 0.22173E-03 ppm1 2.459 ppm2 1.536 CV 1
ASSI { 1826}
((resid 87 and name HG3 ))
((resid 67 and name HG13))
3.400 1.500 1.500 peak 1826 weight 0.10000E+01 volume 0.62749E-03 ppm1 2.460 ppm2 1.357 CV 1
ASSI { 1827}
((resid 87 and name HG3 ))
((resid 67 and name HG12))
3.900 1.900 1.900 peak 1827 weight 0.10000E+01 volume 0.30184E-03 ppm1 2.464 ppm2 1.029 CV 1
ASSI { 1828}
((resid 87 and name HG3 ))
( resid 67 and name HG2%)
4.600 1.800 0.800 peak 1828 weight 0.10000E+01 volume 0.33014E-02 ppm1 2.461 ppm2 0.791 CV 1
ASSI { 1831}
((resid 87 and name HB2 ))
((resid 87 and name HE21))
3.900 1.900 1.900 peak 1831 weight 0.10000E+01 volume 0.27416E-03 ppm1 2.003 ppm2 7.118 CV 1
ASSI { 1832}
((resid 87 and name HB2 ))
((resid 87 and name HE22))
4.000 2.000 2.000 peak 1832 weight 0.10000E+01 volume 0.25019E-03 ppm1 2.000 ppm2 6.706 CV 1
ASSI { 1834}
((resid 87 and name HB2 ))
((resid 86 and name HA ))
5.100 1.200 1.200 peak 1834 weight 0.10000E+01 volume 0.11012E-02 ppm1 2.008 ppm2 4.180 CV 1
ASSI { 1835}
((resid 87 and name HB2 ))
((resid 87 and name HG3 ))
2.200 0.600 0.600 peak 1835 weight 0.10000E+01 volume 0.85571E-02 ppm1 2.004 ppm2 2.452 CV 1
ASSI { 1836}
((resid 87 and name HB2 ))
((resid 103 and name HB3 ))
2.600 0.800 1.800 peak 1836 weight 0.10000E+01 volume 0.34715E-02 ppm1 2.005 ppm2 1.713 CV 1
ASSI { 1837}
((resid 87 and name HB2 ))
( resid 103 and name HD1%)
2.200 0.600 0.600 peak 1837 weight 0.10000E+01 volume 0.81196E-02 ppm1 2.002 ppm2 0.823 CV 1
ASSI { 1838}
((resid 87 and name HB2 ))
((resid 67 and name HG13))
3.600 1.600 1.600 peak 1838 weight 0.10000E+01 volume 0.44379E-03 ppm1 2.003 ppm2 1.357 CV 1
ASSI { 1840}
((resid 85 and name HA1 ))
((resid 68 and name HN ))
4.400 2.400 1.600 peak 1840 weight 0.10000E+01 volume 0.14365E-03 ppm1 3.490 ppm2 8.539 CV 1
ASSI { 1844}
((resid 85 and name HA1 ))
( resid 68 and name HB% )
3.000 1.200 1.200 peak 1844 weight 0.10000E+01 volume 0.12451E-02 ppm1 3.490 ppm2 1.659 CV 1
ASSI { 1845}
((resid 85 and name HA1 ))
((resid 67 and name HB ))
4.100 2.200 1.900 peak 1845 weight 0.10000E+01 volume 0.19591E-03 ppm1 3.494 ppm2 1.564 CV 1
ASSI { 1846}
((resid 85 and name HA1 ))
((resid 67 and name HG13))
3.600 1.600 1.600 peak 1846 weight 0.10000E+01 volume 0.46946E-03 ppm1 3.491 ppm2 1.332 CV 1
ASSI { 1847}
((resid 85 and name HA1 ))
((resid 84 and name HG3 ))
3.400 1.400 1.400 peak 1847 weight 0.10000E+01 volume 0.69382E-03 ppm1 3.492 ppm2 1.183 CV 1
ASSI { 1848}
((resid 85 and name HA1 ))
((resid 67 and name HG12))
3.300 1.300 1.300 peak 1848 weight 0.10000E+01 volume 0.83840E-03 ppm1 3.493 ppm2 1.036 CV 1
ASSI { 1849}
((resid 85 and name HA1 ))
( resid 67 and name HG2%)
2.600 0.800 0.800 peak 1849 weight 0.10000E+01 volume 0.36214E-02 ppm1 3.489 ppm2 0.771 CV 1
ASSI { 1852}
((resid 85 and name HA2 ))
((resid 85 and name HA1 ))
1.700 0.300 0.500 peak 1852 weight 0.10000E+01 volume 0.46327E-01 ppm1 4.365 ppm2 3.485 CV 1
ASSI { 1854}
((resid 85 and name HA2 ))
( resid 68 and name HB% )
6.000 1.300 1.300 peak 1854 weight 0.10000E+01 volume 0.88757E-03 ppm1 4.364 ppm2 1.665 CV 1
ASSI { 1855}
((resid 85 and name HA2 ))
((resid 67 and name HG13))
6.000 2.000 1.000 peak 1855 weight 0.10000E+01 volume 0.23210E-03 ppm1 4.362 ppm2 1.334 CV 1
ASSI { 1856}
((resid 85 and name HA2 ))
((resid 84 and name HG3 ))
3.900 1.900 1.900 peak 1856 weight 0.10000E+01 volume 0.30323E-03 ppm1 4.369 ppm2 1.171 CV 1
ASSI { 1857}
((resid 85 and name HA2 ))
((resid 67 and name HG12))
3.800 1.800 1.800 peak 1857 weight 0.10000E+01 volume 0.32781E-03 ppm1 4.369 ppm2 1.045 CV 1
ASSI { 1858}
((resid 85 and name HA2 ))
( resid 67 and name HG2%)
3.000 1.100 1.100 peak 1858 weight 0.10000E+01 volume 0.14440E-02 ppm1 4.366 ppm2 0.772 CV 1
ASSI { 1859}
((resid 84 and name HE2 ))
( resid 69 and name HD1%)
6.000 1.900 1.000 peak 1859 weight 0.10000E+01 volume 0.26797E-03 ppm1 2.954 ppm2 0.668 CV 1
ASSI { 1861}
((resid 84 and name HE2 ))
((resid 84 and name HG3 ))
2.400 0.700 0.700 peak 1861 weight 0.10000E+01 volume 0.53409E-02 ppm1 2.954 ppm2 1.182 CV 1
ASSI { 1862}
((resid 84 and name HE2 ))
((resid 84 and name HD3 ))
2.200 0.600 0.600 peak 1862 weight 0.10000E+01 volume 0.81846E-02 ppm1 2.954 ppm2 1.632 CV 1
OR { 1862}
((resid 84 and name HE2 ))
((resid 84 and name HD2 ))
ASSI { 1864}
((resid 84 and name HE2 ))
((resid 69 and name HA ))
3.700 1.700 1.700 peak 1864 weight 0.10000E+01 volume 0.41146E-03 ppm1 2.956 ppm2 4.047 CV 1
ASSI { 1865}
((resid 84 and name HD2 ))
((resid 84 and name HN ))
4.300 2.300 1.700 peak 1865 weight 0.10000E+01 volume 0.16283E-03 ppm1 1.637 ppm2 8.348 CV 1
ASSI { 1866}
((resid 84 and name HD2 ))
((resid 85 and name HN ))
3.700 1.700 1.700 peak 1866 weight 0.10000E+01 volume 0.37219E-03 ppm1 1.636 ppm2 8.830 CV 1
ASSI { 1867}
((resid 84 and name HD3 ))
((resid 84 and name HE2 ))
2.400 0.700 0.700 peak 1867 weight 0.10000E+01 volume 0.54538E-02 ppm1 1.669 ppm2 2.949 CV 1
ASSI { 1868}
((resid 84 and name HD2 ))
((resid 84 and name HE2 ))
2.400 0.700 0.700 peak 1868 weight 0.10000E+01 volume 0.54847E-02 ppm1 1.623 ppm2 2.947 CV 1
ASSI { 1869}
((resid 84 and name HD3 ))
((resid 84 and name HA ))
3.600 1.700 1.700 peak 1869 weight 0.10000E+01 volume 0.42739E-03 ppm1 1.668 ppm2 3.359 CV 1
ASSI { 1870}
((resid 84 and name HD2 ))
((resid 84 and name HA ))
4.100 2.100 1.900 peak 1870 weight 0.10000E+01 volume 0.21014E-03 ppm1 1.629 ppm2 3.359 CV 1
ASSI { 1871}
((resid 84 and name HD3 ))
((resid 84 and name HG2 ))
2.500 0.800 0.800 peak 1871 weight 0.10000E+01 volume 0.41766E-02 ppm1 1.669 ppm2 1.067 CV 1
ASSI { 1872}
((resid 84 and name HD2 ))
((resid 84 and name HG2 ))
2.500 0.800 0.800 peak 1872 weight 0.10000E+01 volume 0.42539E-02 ppm1 1.626 ppm2 1.066 CV 1
ASSI { 1873}
((resid 84 and name HD2 ))
((resid 84 and name HG3 ))
2.600 0.800 0.800 peak 1873 weight 0.10000E+01 volume 0.34977E-02 ppm1 1.620 ppm2 1.186 CV 1
ASSI { 1874}
((resid 84 and name HD3 ))
((resid 84 and name HG3 ))
2.300 0.700 0.700 peak 1874 weight 0.10000E+01 volume 0.60955E-02 ppm1 1.665 ppm2 1.185 CV 1
ASSI { 1876}
((resid 84 and name HG2 ))
((resid 84 and name HN ))
4.200 2.200 1.800 peak 1876 weight 0.10000E+01 volume 0.18850E-03 ppm1 1.068 ppm2 8.343 CV 1
ASSI { 1877}
((resid 84 and name HG2 ))
((resid 70 and name HN ))
4.400 2.400 1.600 peak 1877 weight 0.10000E+01 volume 0.14056E-03 ppm1 1.070 ppm2 7.520 CV 1
ASSI { 1878}
((resid 84 and name HG2 ))
((resid 69 and name HA ))
3.600 1.600 1.600 peak 1878 weight 0.10000E+01 volume 0.47950E-03 ppm1 1.069 ppm2 4.055 CV 1
ASSI { 1880}
((resid 84 and name HG2 ))
((resid 84 and name HE2 ))
2.700 0.900 0.900 peak 1880 weight 0.10000E+01 volume 0.27493E-02 ppm1 1.067 ppm2 2.950 CV 1
ASSI { 1887}
((resid 84 and name HG3 ))
((resid 69 and name HA ))
4.200 2.200 1.800 peak 1887 weight 0.10000E+01 volume 0.17736E-03 ppm1 1.189 ppm2 4.052 CV 1
ASSI { 1891}
((resid 84 and name HG3 ))
((resid 84 and name HD2 ))
2.000 0.500 0.500 peak 1891 weight 0.10000E+01 volume 0.14431E-01 ppm1 1.189 ppm2 1.635 CV 1
OR { 1891}
((resid 84 and name HG3 ))
((resid 84 and name HD3 ))
ASSI { 1896}
((resid 84 and name HB3 ))
((resid 85 and name HN ))
3.700 1.700 1.700 peak 1896 weight 0.10000E+01 volume 0.37606E-03 ppm1 1.681 ppm2 8.832 CV 1
ASSI { 1897}
((resid 84 and name HB2 ))
((resid 85 and name HN ))
3.100 1.200 1.200 peak 1897 weight 0.10000E+01 volume 0.10351E-02 ppm1 1.621 ppm2 8.834 CV 1
ASSI { 1901}
((resid 84 and name HB2 ))
((resid 84 and name HN ))
2.400 0.700 0.700 peak 1901 weight 0.10000E+01 volume 0.48909E-02 ppm1 1.629 ppm2 8.345 CV 1
ASSI { 1904}
((resid 84 and name HB2 ))
((resid 70 and name HA ))
4.000 2.000 2.000 peak 1904 weight 0.10000E+01 volume 0.24771E-03 ppm1 1.686 ppm2 4.584 CV 1
ASSI { 1907}
((resid 84 and name HB3 ))
((resid 84 and name HA ))
2.500 0.800 0.800 peak 1907 weight 0.10000E+01 volume 0.43544E-02 ppm1 1.684 ppm2 3.359 CV 1
ASSI { 1911}
((resid 84 and name HB2 ))
((resid 84 and name HE2 ))
3.800 1.800 1.800 peak 1911 weight 0.10000E+01 volume 0.34807E-03 ppm1 1.621 ppm2 2.947 CV 1
ASSI { 1912}
((resid 84 and name HB3 ))
((resid 84 and name HE2 ))
3.600 1.600 1.600 peak 1912 weight 0.10000E+01 volume 0.43683E-03 ppm1 1.685 ppm2 2.945 CV 1
ASSI { 1920}
((resid 84 and name HB2 ))
((resid 84 and name HG3 ))
2.300 0.700 0.700 peak 1920 weight 0.10000E+01 volume 0.66042E-02 ppm1 1.685 ppm2 1.179 CV 1
OR { 1920}
((resid 84 and name HB3 ))
((resid 84 and name HG3 ))
ASSI { 1921}
((resid 83 and name HG2 ))
((resid 83 and name HN ))
3.000 1.100 1.100 peak 1921 weight 0.10000E+01 volume 0.15101E-02 ppm1 2.355 ppm2 8.988 CV 1
ASSI { 1922}
((resid 83 and name HG3 ))
((resid 83 and name HN ))
2.900 1.000 1.000 peak 1922 weight 0.10000E+01 volume 0.18030E-02 ppm1 2.396 ppm2 8.988 CV 1
ASSI { 1923}
((resid 83 and name HG3 ))
((resid 84 and name HN ))
3.900 1.900 1.900 peak 1923 weight 0.10000E+01 volume 0.30353E-03 ppm1 2.394 ppm2 8.343 CV 1
ASSI { 1924}
((resid 83 and name HG2 ))
((resid 84 and name HN ))
3.600 1.600 1.600 peak 1924 weight 0.10000E+01 volume 0.44177E-03 ppm1 2.356 ppm2 8.345 CV 1
ASSI { 1925}
((resid 83 and name HG3 ))
((resid 83 and name HB2 ))
2.300 0.700 0.700 peak 1925 weight 0.10000E+01 volume 0.66985E-02 ppm1 2.393 ppm2 1.929 CV 1
ASSI { 1926}
((resid 83 and name HG2 ))
((resid 83 and name HB2 ))
2.400 0.700 0.700 peak 1926 weight 0.10000E+01 volume 0.46791E-02 ppm1 2.353 ppm2 1.931 CV 1
ASSI { 1929}
((resid 83 and name HG3 ))
((resid 83 and name HB3 ))
2.300 0.600 0.600 peak 1929 weight 0.10000E+01 volume 0.73835E-02 ppm1 2.395 ppm2 2.115 CV 1
ASSI { 1930}
((resid 83 and name HG2 ))
((resid 83 and name HB3 ))
2.300 0.700 0.700 peak 1930 weight 0.10000E+01 volume 0.63708E-02 ppm1 2.352 ppm2 2.113 CV 1
ASSI { 1932}
((resid 83 and name HB3 ))
((resid 84 and name HN ))
2.600 0.900 0.900 peak 1932 weight 0.10000E+01 volume 0.31204E-02 ppm1 2.117 ppm2 8.346 CV 1
ASSI { 1936}
((resid 83 and name HB2 ))
((resid 86 and name HN ))
4.100 2.100 1.900 peak 1936 weight 0.10000E+01 volume 0.19762E-03 ppm1 1.941 ppm2 8.117 CV 1
ASSI { 1938}
((resid 82 and name HB2 ))
((resid 82 and name HN ))
3.500 1.600 1.600 peak 1938 weight 0.10000E+01 volume 0.49868E-03 ppm1 2.902 ppm2 7.883 CV 1
ASSI { 1939}
((resid 82 and name HB2 ))
( resid 82 and name HE% )
4.000 2.000 2.000 peak 1939 weight 0.10000E+01 volume 0.24973E-03 ppm1 2.901 ppm2 7.470 CV 1
ASSI { 1940}
((resid 82 and name HB2 ))
( resid 82 and name HD% )
2.300 0.600 0.600 peak 1940 weight 0.10000E+01 volume 0.74748E-02 ppm1 2.901 ppm2 6.975 CV 1
ASSI { 1942}
((resid 82 and name HB2 ))
((resid 82 and name HB3 ))
1.700 0.400 0.500 peak 1942 weight 0.10000E+01 volume 0.38472E-01 ppm1 2.902 ppm2 3.267 CV 1
ASSI { 1944}
((resid 82 and name HB2 ))
((resid 86 and name HB2 ))
2.900 1.000 1.000 peak 1944 weight 0.10000E+01 volume 0.17133E-02 ppm1 2.900 ppm2 2.373 CV 1
ASSI { 1946}
((resid 82 and name HB2 ))
((resid 80 and name HG ))
4.100 2.100 1.900 peak 1946 weight 0.10000E+01 volume 0.21432E-03 ppm1 2.902 ppm2 1.755 CV 1
ASSI { 1947}
((resid 82 and name HB2 ))
( resid 68 and name HB% )
3.200 1.300 1.300 peak 1947 weight 0.10000E+01 volume 0.85263E-03 ppm1 2.901 ppm2 1.670 CV 1
ASSI { 1948}
((resid 82 and name HB2 ))
( resid 88 and name HD2%)
2.700 0.900 0.900 peak 1948 weight 0.10000E+01 volume 0.25746E-02 ppm1 2.900 ppm2 0.631 CV 1
ASSI { 1949}
((resid 82 and name HB2 ))
( resid 88 and name HD1%)
3.000 1.100 1.100 peak 1949 weight 0.10000E+01 volume 0.13264E-02 ppm1 2.900 ppm2 0.036 CV 1
ASSI { 1952}
((resid 81 and name HA1 ))
( resid 72 and name HD% )
3.000 1.100 1.100 peak 1952 weight 0.10000E+01 volume 0.12853E-02 ppm1 3.569 ppm2 7.059 CV 1
ASSI { 1953}
((resid 81 and name HA1 ))
( resid 82 and name HD% )
3.700 1.700 1.700 peak 1953 weight 0.10000E+01 volume 0.41704E-03 ppm1 3.570 ppm2 6.967 CV 1
ASSI { 1954}
((resid 81 and name HA1 ))
((resid 81 and name HA2 ))
1.800 0.400 0.400 peak 1954 weight 0.10000E+01 volume 0.29163E-01 ppm1 3.569 ppm2 4.356 CV 1
ASSI { 1956}
((resid 81 and name HA1 ))
((resid 74 and name HG3 ))
3.000 1.100 1.100 peak 1956 weight 0.10000E+01 volume 0.13080E-02 ppm1 3.568 ppm2 2.016 CV 1
ASSI { 1957}
((resid 81 and name HA1 ))
((resid 74 and name HG2 ))
3.100 1.200 1.200 peak 1957 weight 0.10000E+01 volume 0.11499E-02 ppm1 3.571 ppm2 1.789 CV 1
ASSI { 1958}
((resid 81 and name HA1 ))
( resid 80 and name HD1%)
4.000 2.000 2.000 peak 1958 weight 0.10000E+01 volume 0.24215E-03 ppm1 3.572 ppm2 0.797 CV 1
ASSI { 1959}
((resid 81 and name HA1 ))
((resid 72 and name HB3 ))
4.100 2.100 1.900 peak 1959 weight 0.10000E+01 volume 0.20659E-03 ppm1 3.576 ppm2 1.041 CV 1
ASSI { 1962}
((resid 81 and name HA2 ))
( resid 72 and name HD% )
3.100 1.200 1.200 peak 1962 weight 0.10000E+01 volume 0.10594E-02 ppm1 4.362 ppm2 7.056 CV 1
ASSI { 1963}
((resid 81 and name HA2 ))
( resid 82 and name HD% )
3.600 1.600 1.600 peak 1963 weight 0.10000E+01 volume 0.49837E-03 ppm1 4.362 ppm2 6.973 CV 1
ASSI { 1966}
((resid 81 and name HA2 ))
((resid 74 and name HB3 ))
3.800 1.800 1.800 peak 1966 weight 0.10000E+01 volume 0.30895E-03 ppm1 4.365 ppm2 1.978 CV 1
ASSI { 1967}
((resid 81 and name HA2 ))
((resid 74 and name HG2 ))
3.700 1.700 1.700 peak 1967 weight 0.10000E+01 volume 0.40652E-03 ppm1 4.365 ppm2 1.785 CV 1
ASSI { 1968}
( resid 80 and name HD2%)
((resid 100 and name HN ))
4.500 2.500 1.500 peak 1968 weight 0.10000E+01 volume 0.12602E-03 ppm1 0.656 ppm2 9.411 CV 1
ASSI { 1969}
( resid 80 and name HD2%)
((resid 80 and name HN ))
3.500 1.500 1.500 peak 1969 weight 0.10000E+01 volume 0.56965E-03 ppm1 0.656 ppm2 9.106 CV 1
ASSI { 1970}
( resid 80 and name HD2%)
((resid 101 and name HN ))
4.500 2.500 1.500 peak 1970 weight 0.10000E+01 volume 0.12371E-03 ppm1 0.655 ppm2 8.982 CV 1
ASSI { 1973}
( resid 80 and name HD2%)
( resid 82 and name HE% )
4.300 2.300 1.700 peak 1973 weight 0.10000E+01 volume 0.15742E-03 ppm1 0.652 ppm2 7.480 CV 1
ASSI { 1975}
( resid 80 and name HD2%)
( resid 82 and name HD% )
3.000 1.100 1.100 peak 1975 weight 0.10000E+01 volume 0.14614E-02 ppm1 0.653 ppm2 6.977 CV 1
ASSI { 1977}
( resid 80 and name HD2%)
((resid 100 and name HA ))
4.700 2.800 1.300 peak 1977 weight 0.10000E+01 volume 0.90149E-04 ppm1 0.654 ppm2 5.453 CV 1
ASSI { 1979}
( resid 80 and name HD2%)
((resid 80 and name HA ))
3.800 1.800 1.800 peak 1979 weight 0.10000E+01 volume 0.32070E-03 ppm1 0.654 ppm2 4.536 CV 1
ASSI { 1980}
( resid 80 and name HD2%)
((resid 102 and name HB2 ))
3.500 1.500 1.500 peak 1980 weight 0.10000E+01 volume 0.54615E-03 ppm1 0.655 ppm2 4.208 CV 1
ASSI { 1981}
( resid 80 and name HD2%)
((resid 102 and name HB3 ))
4.000 2.000 2.000 peak 1981 weight 0.10000E+01 volume 0.25684E-03 ppm1 0.655 ppm2 4.076 CV 1
ASSI { 1982}
( resid 80 and name HD2%)
((resid 82 and name HB3 ))
3.900 1.900 1.900 peak 1982 weight 0.10000E+01 volume 0.28467E-03 ppm1 0.653 ppm2 3.261 CV 1
ASSI { 1983}
( resid 80 and name HD2%)
((resid 80 and name HG ))
1.700 0.400 0.500 peak 1983 weight 0.10000E+01 volume 0.37313E-01 ppm1 0.654 ppm2 1.749 CV 1
ASSI { 1984}
( resid 80 and name HD2%)
( resid 100 and name HB% )
2.600 0.900 0.900 peak 1984 weight 0.10000E+01 volume 0.31544E-02 ppm1 0.652 ppm2 1.216 CV 1
ASSI { 1985}
( resid 80 and name HD2%)
( resid 111 and name HG2%)
2.400 0.700 0.700 peak 1985 weight 0.10000E+01 volume 0.51183E-02 ppm1 0.654 ppm2 1.117 CV 1
ASSI { 1988}
( resid 80 and name HD2%)
( resid 88 and name HD1%)
3.400 1.400 1.400 peak 1988 weight 0.10000E+01 volume 0.68609E-03 ppm1 0.653 ppm2 0.045 CV 1
ASSI { 1989}
((resid 80 and name HB2 ))
((resid 80 and name HN ))
2.600 0.900 0.900 peak 1989 weight 0.10000E+01 volume 0.29039E-02 ppm1 0.733 ppm2 9.099 CV 1
ASSI { 1990}
((resid 80 and name HB2 ))
((resid 109 and name HN ))
2.800 1.000 1.000 peak 1990 weight 0.10000E+01 volume 0.20133E-02 ppm1 0.733 ppm2 8.726 CV 1
ASSI { 1991}
((resid 80 and name HB2 ))
((resid 81 and name HN ))
3.600 1.600 1.600 peak 1991 weight 0.10000E+01 volume 0.46528E-03 ppm1 0.731 ppm2 8.187 CV 1
ASSI { 1992}
((resid 80 and name HB2 ))
((resid 108 and name HA ))
4.200 2.200 1.800 peak 1992 weight 0.10000E+01 volume 0.18555E-03 ppm1 0.733 ppm2 5.694 CV 1
ASSI { 1996}
((resid 80 and name HB2 ))
((resid 109 and name HA1 ))
3.100 1.200 1.200 peak 1996 weight 0.10000E+01 volume 0.11770E-02 ppm1 0.737 ppm2 3.931 CV 1
ASSI { 1997}
((resid 80 and name HB2 ))
((resid 80 and name HB3 ))
1.800 0.400 0.400 peak 1997 weight 0.10000E+01 volume 0.28111E-01 ppm1 0.735 ppm2 1.759 CV 1
ASSI { 1998}
((resid 80 and name HB2 ))
( resid 111 and name HG2%)
2.700 0.900 0.900 peak 1998 weight 0.10000E+01 volume 0.28065E-02 ppm1 0.734 ppm2 1.116 CV 1
ASSI { 2000}
((resid 80 and name HB3 ))
((resid 80 and name HN ))
2.400 0.700 0.700 peak 2000 weight 0.10000E+01 volume 0.47981E-02 ppm1 1.765 ppm2 9.099 CV 1
ASSI { 2003}
((resid 80 and name HB3 ))
( resid 82 and name HD% )
3.800 1.800 1.800 peak 2003 weight 0.10000E+01 volume 0.30834E-03 ppm1 1.763 ppm2 6.976 CV 1
ASSI { 2007}
((resid 80 and name HB3 ))
((resid 109 and name HA1 ))
3.900 1.900 1.900 peak 2007 weight 0.10000E+01 volume 0.28359E-03 ppm1 1.761 ppm2 3.927 CV 1
ASSI { 2011}
((resid 80 and name HG ))
((resid 80 and name HN ))
3.900 1.900 1.900 peak 2011 weight 0.10000E+01 volume 0.28436E-03 ppm1 1.756 ppm2 9.096 CV 1
ASSI { 2012}
((resid 80 and name HG ))
((resid 102 and name HN ))
4.300 2.300 1.700 peak 2012 weight 0.10000E+01 volume 0.16591E-03 ppm1 1.754 ppm2 8.737 CV 1
ASSI { 2014}
((resid 80 and name HG ))
( resid 82 and name HD% )
3.000 1.100 1.100 peak 2014 weight 0.10000E+01 volume 0.14958E-02 ppm1 1.753 ppm2 6.976 CV 1
ASSI { 2015}
((resid 80 and name HG ))
((resid 80 and name HA ))
3.700 1.700 1.700 peak 2015 weight 0.10000E+01 volume 0.37761E-03 ppm1 1.753 ppm2 4.537 CV 1
ASSI { 2018}
((resid 80 and name HG ))
( resid 100 and name HB% )
3.500 1.500 1.500 peak 2018 weight 0.10000E+01 volume 0.53378E-03 ppm1 1.752 ppm2 1.218 CV 1
ASSI { 2019}
((resid 80 and name HG ))
( resid 111 and name HG2%)
3.000 1.100 1.100 peak 2019 weight 0.10000E+01 volume 0.13405E-02 ppm1 1.750 ppm2 1.126 CV 1
ASSI { 2020}
((resid 80 and name HG ))
( resid 80 and name HD1%)
2.300 0.700 0.700 peak 2020 weight 0.10000E+01 volume 0.61418E-02 ppm1 1.753 ppm2 0.795 CV 1
ASSI { 2022}
( resid 80 and name HD1%)
((resid 80 and name HN ))
3.600 1.600 1.600 peak 2022 weight 0.10000E+01 volume 0.43605E-03 ppm1 0.807 ppm2 9.095 CV 1
ASSI { 2023}
( resid 80 and name HD1%)
((resid 102 and name HN ))
2.600 0.900 0.900 peak 2023 weight 0.10000E+01 volume 0.29968E-02 ppm1 0.805 ppm2 8.751 CV 1
ASSI { 2026}
( resid 80 and name HD1%)
((resid 107 and name HN ))
3.500 1.500 1.500 peak 2026 weight 0.10000E+01 volume 0.56563E-03 ppm1 0.806 ppm2 7.921 CV 1
ASSI { 2027}
( resid 80 and name HD1%)
( resid 82 and name HD% )
3.900 1.900 1.900 peak 2027 weight 0.10000E+01 volume 0.28514E-03 ppm1 0.804 ppm2 6.967 CV 1
ASSI { 2029}
( resid 80 and name HD1%)
((resid 101 and name HA ))
3.400 1.400 1.400 peak 2029 weight 0.10000E+01 volume 0.67681E-03 ppm1 0.808 ppm2 5.270 CV 1
ASSI { 2030}
( resid 80 and name HD1%)
((resid 80 and name HA ))
2.600 0.800 0.800 peak 2030 weight 0.10000E+01 volume 0.32225E-02 ppm1 0.806 ppm2 4.528 CV 1
ASSI { 2032}
( resid 80 and name HD1%)
((resid 102 and name HB3 ))
2.900 1.000 1.000 peak 2032 weight 0.10000E+01 volume 0.17149E-02 ppm1 0.807 ppm2 4.054 CV 1
ASSI { 2033}
( resid 65 and name HD1%)
((resid 66 and name HB ))
3.100 1.200 1.200 peak 2033 weight 0.10000E+01 volume 0.12364E-02 ppm1 0.776 ppm2 1.998 CV 1
ASSI { 2034}
( resid 65 and name HD1%)
((resid 87 and name HB3 ))
3.600 1.600 1.600 peak 2034 weight 0.10000E+01 volume 0.48924E-03 ppm1 0.777 ppm2 2.090 CV 1
ASSI { 2035}
( resid 80 and name HD1%)
((resid 107 and name HG2 ))
3.000 1.100 1.100 peak 2035 weight 0.10000E+01 volume 0.13252E-02 ppm1 0.806 ppm2 2.405 CV 1
OR { 2035}
( resid 80 and name HD1%)
((resid 107 and name HG3 ))
ASSI { 2036}
( resid 80 and name HD1%)
((resid 107 and name HB3 ))
2.300 0.700 0.700 peak 2036 weight 0.10000E+01 volume 0.63182E-02 ppm1 0.805 ppm2 2.043 CV 1
ASSI { 2037}
( resid 80 and name HD1%)
((resid 107 and name HB2 ))
2.400 0.700 0.700 peak 2037 weight 0.10000E+01 volume 0.50688E-02 ppm1 0.807 ppm2 1.927 CV 1
ASSI { 2038}
( resid 80 and name HD1%)
((resid 80 and name HG ))
2.100 0.500 0.500 peak 2038 weight 0.10000E+01 volume 0.12865E-01 ppm1 0.807 ppm2 1.749 CV 1
OR { 2038}
( resid 80 and name HD1%)
((resid 80 and name HB3 ))
ASSI { 2039}
((resid 79 and name HB3 ))
((resid 80 and name HN ))
2.800 1.000 1.000 peak 2039 weight 0.10000E+01 volume 0.21927E-02 ppm1 3.002 ppm2 9.101 CV 1
ASSI { 2040}
((resid 79 and name HB2 ))
((resid 80 and name HN ))
2.800 1.000 1.000 peak 2040 weight 0.10000E+01 volume 0.20489E-02 ppm1 2.912 ppm2 9.105 CV 1
ASSI { 2041}
((resid 79 and name HB2 ))
((resid 75 and name HN ))
3.600 1.600 1.600 peak 2041 weight 0.10000E+01 volume 0.45152E-03 ppm1 2.914 ppm2 8.590 CV 1
ASSI { 2042}
((resid 79 and name HB3 ))
((resid 75 and name HN ))
3.900 1.900 1.900 peak 2042 weight 0.10000E+01 volume 0.26674E-03 ppm1 3.006 ppm2 8.586 CV 1
ASSI { 2043}
((resid 79 and name HB3 ))
((resid 79 and name HN ))
3.500 0.800 0.800 peak 2043 weight 0.10000E+01 volume 0.40884E-02 ppm1 3.002 ppm2 7.872 CV 1
ASSI { 2046}
((resid 79 and name HB3 ))
((resid 76 and name HN ))
3.400 1.400 1.400 peak 2046 weight 0.10000E+01 volume 0.68083E-03 ppm1 3.001 ppm2 7.784 CV 1
ASSI { 2047}
((resid 79 and name HB3 ))
((resid 97 and name HZ3 ))
2.500 0.800 0.800 peak 2047 weight 0.10000E+01 volume 0.41935E-02 ppm1 3.001 ppm2 6.717 CV 1
ASSI { 2048}
((resid 79 and name HB2 ))
((resid 97 and name HZ3 ))
6.000 1.800 1.200 peak 2048 weight 0.10000E+01 volume 0.31977E-02 ppm1 2.912 ppm2 6.717 CV 1
ASSI { 2053}
((resid 79 and name HB3 ))
((resid 79 and name HB2 ))
2.000 0.500 0.500 peak 2053 weight 0.10000E+01 volume 0.16530E-01 ppm1 3.006 ppm2 2.902 CV 1
ASSI { 2057}
((resid 79 and name HB3 ))
((resid 74 and name HB3 ))
2.400 0.700 0.700 peak 2057 weight 0.10000E+01 volume 0.46682E-02 ppm1 3.001 ppm2 1.985 CV 1
ASSI { 2058}
((resid 79 and name HB2 ))
((resid 74 and name HB3 ))
2.500 0.800 0.800 peak 2058 weight 0.10000E+01 volume 0.45275E-02 ppm1 2.916 ppm2 1.985 CV 1
ASSI { 2059}
((resid 79 and name HB2 ))
((resid 74 and name HG2 ))
3.900 1.900 1.900 peak 2059 weight 0.10000E+01 volume 0.27261E-03 ppm1 2.916 ppm2 1.789 CV 1
ASSI { 2060}
((resid 79 and name HB3 ))
((resid 74 and name HG2 ))
3.900 1.900 1.900 peak 2060 weight 0.10000E+01 volume 0.27663E-03 ppm1 3.002 ppm2 1.785 CV 1
ASSI { 2061}
((resid 78 and name HA2 ))
((resid 78 and name HN ))
2.600 0.800 0.800 peak 2061 weight 0.10000E+01 volume 0.32426E-02 ppm1 4.398 ppm2 8.896 CV 1
ASSI { 2063}
((resid 78 and name HA2 ))
( resid 110 and name HD% )
3.700 1.700 1.700 peak 2063 weight 0.10000E+01 volume 0.37250E-03 ppm1 4.397 ppm2 7.181 CV 1
ASSI { 2066}
((resid 78 and name HA1 ))
( resid 110 and name HD% )
3.800 1.800 1.800 peak 2066 weight 0.10000E+01 volume 0.35225E-03 ppm1 3.931 ppm2 7.185 CV 1
ASSI { 2067}
((resid 77 and name HA ))
((resid 77 and name HB3 ))
2.500 0.800 0.800 peak 2067 weight 0.10000E+01 volume 0.39199E-02 ppm1 4.419 ppm2 2.577 CV 1
ASSI { 2072}
((resid 77 and name HB3 ))
((resid 78 and name HN ))
3.500 1.500 1.500 peak 2072 weight 0.10000E+01 volume 0.59084E-03 ppm1 2.564 ppm2 8.899 CV 1
ASSI { 2074}
((resid 77 and name HB2 ))
((resid 77 and name HN ))
3.000 1.100 1.100 peak 2074 weight 0.10000E+01 volume 0.14936E-02 ppm1 2.600 ppm2 8.764 CV 1
ASSI { 2077}
((resid 77 and name HB2 ))
((resid 77 and name HA ))
2.600 0.900 0.900 peak 2077 weight 0.10000E+01 volume 0.30694E-02 ppm1 2.598 ppm2 4.410 CV 1
ASSI { 2078}
((resid 76 and name HB2 ))
((resid 77 and name HN ))
3.700 1.700 1.700 peak 2078 weight 0.10000E+01 volume 0.38658E-03 ppm1 3.146 ppm2 8.763 CV 1
ASSI { 2079}
((resid 76 and name HB2 ))
((resid 79 and name HN ))
3.900 1.900 1.900 peak 2079 weight 0.10000E+01 volume 0.28652E-03 ppm1 3.146 ppm2 7.866 CV 1
ASSI { 2081}
((resid 76 and name HB2 ))
((resid 97 and name HE3 ))
3.500 1.500 1.500 peak 2081 weight 0.10000E+01 volume 0.58821E-03 ppm1 3.146 ppm2 7.145 CV 1
ASSI { 2085}
((resid 76 and name HB3 ))
((resid 76 and name HN ))
2.900 1.100 1.100 peak 2085 weight 0.10000E+01 volume 0.15725E-02 ppm1 2.831 ppm2 7.782 CV 1
ASSI { 2086}
((resid 76 and name HB3 ))
((resid 97 and name HE3 ))
3.900 1.900 1.900 peak 2086 weight 0.10000E+01 volume 0.27107E-03 ppm1 2.830 ppm2 7.147 CV 1
ASSI { 2088}
((resid 76 and name HB3 ))
((resid 76 and name HB2 ))
1.700 0.400 0.500 peak 2088 weight 0.10000E+01 volume 0.36524E-01 ppm1 2.830 ppm2 3.138 CV 1
ASSI { 2089}
((resid 75 and name HB3 ))
((resid 75 and name HN ))
3.100 1.200 1.200 peak 2089 weight 0.10000E+01 volume 0.10496E-02 ppm1 3.686 ppm2 8.582 CV 1
ASSI { 2090}
((resid 75 and name HB3 ))
((resid 76 and name HN ))
3.700 1.700 1.700 peak 2090 weight 0.10000E+01 volume 0.41812E-03 ppm1 3.683 ppm2 7.784 CV 1
ASSI { 2091}
((resid 75 and name HB3 ))
((resid 75 and name HA ))
2.400 0.700 0.700 peak 2091 weight 0.10000E+01 volume 0.53286E-02 ppm1 3.685 ppm2 4.400 CV 1
ASSI { 2093}
((resid 75 and name HB3 ))
((resid 75 and name HB2 ))
1.800 0.400 0.400 peak 2093 weight 0.10000E+01 volume 0.30849E-01 ppm1 3.686 ppm2 3.567 CV 1
ASSI { 2094}
((resid 75 and name HB2 ))
((resid 75 and name HN ))
3.400 1.400 1.400 peak 2094 weight 0.10000E+01 volume 0.66444E-03 ppm1 3.573 ppm2 8.584 CV 1
ASSI { 2095}
((resid 75 and name HB2 ))
((resid 76 and name HN ))
3.800 1.800 1.800 peak 2095 weight 0.10000E+01 volume 0.35085E-03 ppm1 3.576 ppm2 7.778 CV 1
ASSI { 2096}
((resid 75 and name HB2 ))
( resid 72 and name HE% )
4.200 2.200 1.800 peak 2096 weight 0.10000E+01 volume 0.18308E-03 ppm1 3.576 ppm2 6.726 CV 1
ASSI { 2099}
((resid 75 and name HB2 ))
((resid 75 and name HA ))
2.400 0.700 0.700 peak 2099 weight 0.10000E+01 volume 0.54043E-02 ppm1 3.576 ppm2 4.396 CV 1
ASSI { 2101}
((resid 74 and name HA ))
((resid 76 and name HN ))
3.100 1.200 1.200 peak 2101 weight 0.10000E+01 volume 0.10895E-02 ppm1 3.983 ppm2 7.790 CV 1
ASSI { 2102}
((resid 74 and name HA ))
( resid 72 and name HD% )
3.600 1.600 1.600 peak 2102 weight 0.10000E+01 volume 0.47192E-03 ppm1 3.984 ppm2 7.060 CV 1
ASSI { 2103}
((resid 74 and name HA ))
( resid 72 and name HE% )
2.500 0.800 0.800 peak 2103 weight 0.10000E+01 volume 0.38023E-02 ppm1 3.984 ppm2 6.722 CV 1
ASSI { 2104}
((resid 74 and name HA ))
((resid 74 and name HD2 ))
2.900 1.000 1.000 peak 2104 weight 0.10000E+01 volume 0.17395E-02 ppm1 3.984 ppm2 3.553 CV 1
ASSI { 2105}
((resid 74 and name HA ))
((resid 79 and name HB3 ))
2.700 0.900 0.900 peak 2105 weight 0.10000E+01 volume 0.28652E-02 ppm1 3.983 ppm2 2.995 CV 1
ASSI { 2106}
((resid 74 and name HA ))
((resid 79 and name HB2 ))
2.500 0.800 0.800 peak 2106 weight 0.10000E+01 volume 0.37142E-02 ppm1 3.984 ppm2 2.906 CV 1
ASSI { 2107}
((resid 74 and name HA ))
((resid 74 and name HB3 ))
2.100 0.500 0.500 peak 2107 weight 0.10000E+01 volume 0.11868E-01 ppm1 3.984 ppm2 1.978 CV 1
ASSI { 2108}
((resid 74 and name HA ))
((resid 74 and name HG2 ))
2.900 1.000 1.000 peak 2108 weight 0.10000E+01 volume 0.17426E-02 ppm1 3.984 ppm2 1.799 CV 1
ASSI { 2109}
((resid 74 and name HB3 ))
( resid 72 and name HE% )
3.000 1.200 1.200 peak 2109 weight 0.10000E+01 volume 0.12466E-02 ppm1 1.985 ppm2 6.718 CV 1
ASSI { 2110}
((resid 74 and name HB3 ))
((resid 75 and name HN ))
3.200 1.200 1.200 peak 2110 weight 0.10000E+01 volume 0.10035E-02 ppm1 1.986 ppm2 8.588 CV 1
ASSI { 2111}
((resid 74 and name HB3 ))
((resid 80 and name HN ))
4.600 2.600 1.400 peak 2111 weight 0.10000E+01 volume 0.10530E-03 ppm1 1.986 ppm2 9.099 CV 1
ASSI { 2113}
((resid 74 and name HB3 ))
((resid 74 and name HD3 ))
2.300 0.700 0.700 peak 2113 weight 0.10000E+01 volume 0.61697E-02 ppm1 1.985 ppm2 3.547 CV 1
OR { 2113}
((resid 74 and name HB3 ))
((resid 74 and name HD2 ))
ASSI { 2117}
((resid 74 and name HG3 ))
((resid 79 and name HB2 ))
4.300 2.300 1.700 peak 2117 weight 0.10000E+01 volume 0.16793E-03 ppm1 1.798 ppm2 2.916 CV 1
ASSI { 2118}
((resid 74 and name HG3 ))
((resid 79 and name HB3 ))
3.600 1.600 1.600 peak 2118 weight 0.10000E+01 volume 0.43992E-03 ppm1 1.799 ppm2 2.989 CV 1
ASSI { 2119}
((resid 74 and name HG3 ))
((resid 74 and name HD3 ))
2.300 0.700 0.700 peak 2119 weight 0.10000E+01 volume 0.59749E-02 ppm1 1.799 ppm2 3.543 CV 1
OR { 2119}
((resid 74 and name HG3 ))
((resid 74 and name HD2 ))
ASSI { 2121}
((resid 74 and name HG3 ))
((resid 79 and name HN ))
4.600 2.600 1.400 peak 2121 weight 0.10000E+01 volume 0.10778E-03 ppm1 1.801 ppm2 7.885 CV 1
ASSI { 2122}
((resid 74 and name HG3 ))
( resid 72 and name HE% )
4.100 2.100 1.900 peak 2122 weight 0.10000E+01 volume 0.21710E-03 ppm1 1.797 ppm2 6.711 CV 1
ASSI { 2123}
((resid 74 and name HD2 ))
((resid 81 and name HN ))
3.300 1.400 1.400 peak 2123 weight 0.10000E+01 volume 0.75243E-03 ppm1 3.519 ppm2 8.181 CV 1
ASSI { 2124}
((resid 74 and name HD3 ))
((resid 81 and name HN ))
4.100 2.100 1.900 peak 2124 weight 0.10000E+01 volume 0.20303E-03 ppm1 3.558 ppm2 8.181 CV 1
ASSI { 2125}
((resid 74 and name HD3 ))
((resid 82 and name HN ))
4.200 2.200 1.800 peak 2125 weight 0.10000E+01 volume 0.18448E-03 ppm1 3.558 ppm2 7.886 CV 1
ASSI { 2126}
((resid 74 and name HD2 ))
((resid 82 and name HN ))
3.900 1.900 1.900 peak 2126 weight 0.10000E+01 volume 0.27895E-03 ppm1 3.515 ppm2 7.883 CV 1
ASSI { 2127}
((resid 74 and name HD2 ))
( resid 72 and name HD% )
3.300 1.300 1.300 peak 2127 weight 0.10000E+01 volume 0.83824E-03 ppm1 3.522 ppm2 7.071 CV 1
ASSI { 2130}
((resid 73 and name HG3 ))
((resid 74 and name HD2 ))
3.100 1.200 1.200 peak 2130 weight 0.10000E+01 volume 0.11021E-02 ppm1 2.047 ppm2 3.548 CV 1
ASSI { 2132}
((resid 73 and name HG3 ))
((resid 73 and name HB2 ))
2.300 0.700 0.700 peak 2132 weight 0.10000E+01 volume 0.64016E-02 ppm1 2.047 ppm2 1.617 CV 1
ASSI { 2133}
((resid 73 and name HG3 ))
((resid 73 and name HB3 ))
2.500 0.800 0.800 peak 2133 weight 0.10000E+01 volume 0.42229E-02 ppm1 2.047 ppm2 1.697 CV 1
ASSI { 2137}
((resid 73 and name HB2 ))
((resid 73 and name HA ))
2.800 0.900 0.900 peak 2137 weight 0.10000E+01 volume 0.22731E-02 ppm1 1.620 ppm2 4.504 CV 1
ASSI { 2138}
((resid 73 and name HB3 ))
((resid 74 and name HD2 ))
3.000 1.100 1.100 peak 2138 weight 0.10000E+01 volume 0.12932E-02 ppm1 1.700 ppm2 3.545 CV 1
ASSI { 2139}
((resid 73 and name HB2 ))
((resid 74 and name HD2 ))
3.100 1.200 1.200 peak 2139 weight 0.10000E+01 volume 0.12164E-02 ppm1 1.620 ppm2 3.545 CV 1
ASSI { 2140}
((resid 73 and name HB3 ))
((resid 73 and name HB2 ))
1.600 0.300 0.600 peak 2140 weight 0.10000E+01 volume 0.59996E-01 ppm1 1.703 ppm2 1.621 CV 1
ASSI { 2143}
((resid 72 and name HB2 ))
((resid 72 and name HN ))
2.800 1.000 1.000 peak 2143 weight 0.10000E+01 volume 0.19499E-02 ppm1 2.274 ppm2 8.502 CV 1
ASSI { 2146}
((resid 72 and name HB2 ))
( resid 82 and name HE% )
2.800 1.000 1.000 peak 2146 weight 0.10000E+01 volume 0.20489E-02 ppm1 2.277 ppm2 7.480 CV 1
ASSI { 2147}
((resid 72 and name HB2 ))
( resid 115 and name HD% )
3.000 1.100 1.100 peak 2147 weight 0.10000E+01 volume 0.14905E-02 ppm1 2.275 ppm2 7.387 CV 1
ASSI { 2148}
((resid 72 and name HB2 ))
( resid 72 and name HD% )
2.200 0.600 0.600 peak 2148 weight 0.10000E+01 volume 0.92098E-02 ppm1 2.273 ppm2 7.058 CV 1
ASSI { 2149}
((resid 72 and name HB2 ))
((resid 82 and name HZ ))
2.900 1.100 1.100 peak 2149 weight 0.10000E+01 volume 0.15201E-02 ppm1 2.274 ppm2 6.799 CV 1
ASSI { 2151}
((resid 72 and name HB2 ))
((resid 81 and name HA2 ))
4.000 2.000 2.000 peak 2151 weight 0.10000E+01 volume 0.24246E-03 ppm1 2.277 ppm2 4.358 CV 1
ASSI { 2154}
((resid 72 and name HB2 ))
((resid 72 and name HB3 ))
1.800 0.400 0.400 peak 2154 weight 0.10000E+01 volume 0.25298E-01 ppm1 2.273 ppm2 1.039 CV 1
ASSI { 2157}
((resid 72 and name HB3 ))
((resid 73 and name HN ))
3.700 1.800 1.800 peak 2157 weight 0.10000E+01 volume 0.36199E-03 ppm1 1.045 ppm2 7.591 CV 1
ASSI { 2158}
((resid 72 and name HB3 ))
( resid 82 and name HE% )
2.900 1.000 1.000 peak 2158 weight 0.10000E+01 volume 0.17133E-02 ppm1 1.046 ppm2 7.475 CV 1
ASSI { 2159}
((resid 72 and name HB3 ))
( resid 115 and name HD% )
3.500 1.600 1.600 peak 2159 weight 0.10000E+01 volume 0.50286E-03 ppm1 1.047 ppm2 7.381 CV 1
ASSI { 2160}
((resid 72 and name HB3 ))
( resid 72 and name HD% )
2.300 0.700 0.700 peak 2160 weight 0.10000E+01 volume 0.70774E-02 ppm1 1.046 ppm2 7.059 CV 1
ASSI { 2161}
((resid 72 and name HB3 ))
((resid 82 and name HZ ))
3.800 1.800 1.800 peak 2161 weight 0.10000E+01 volume 0.35054E-03 ppm1 1.046 ppm2 6.804 CV 1
ASSI { 2165}
((resid 72 and name HB3 ))
( resid 82 and name HD% )
3.000 1.100 1.100 peak 2165 weight 0.10000E+01 volume 0.13473E-02 ppm1 1.049 ppm2 6.966 CV 1
ASSI { 2166}
((resid 72 and name HB2 ))
( resid 82 and name HD% )
3.000 1.100 1.100 peak 2166 weight 0.10000E+01 volume 0.14586E-02 ppm1 2.276 ppm2 6.964 CV 1
ASSI { 2170}
((resid 72 and name HB3 ))
((resid 81 and name HA2 ))
4.000 2.000 2.000 peak 2170 weight 0.10000E+01 volume 0.25034E-03 ppm1 1.043 ppm2 4.351 CV 1
ASSI { 2176}
((resid 72 and name HA ))
( resid 72 and name HD% )
2.700 0.900 0.900 peak 2176 weight 0.10000E+01 volume 0.25019E-02 ppm1 4.646 ppm2 7.060 CV 1
ASSI { 2177}
((resid 72 and name HA ))
((resid 72 and name HB3 ))
3.100 1.200 1.200 peak 2177 weight 0.10000E+01 volume 0.11827E-02 ppm1 4.646 ppm2 1.033 CV 1
ASSI { 2178}
((resid 72 and name HA ))
((resid 72 and name HB2 ))
2.700 0.900 0.900 peak 2178 weight 0.10000E+01 volume 0.24880E-02 ppm1 4.646 ppm2 2.271 CV 1
ASSI { 2179}
((resid 71 and name HB2 ))
((resid 71 and name HN ))
2.700 0.900 0.900 peak 2179 weight 0.10000E+01 volume 0.23195E-02 ppm1 3.923 ppm2 8.767 CV 1
ASSI { 2181}
((resid 71 and name HB2 ))
((resid 84 and name HN ))
3.600 1.600 1.600 peak 2181 weight 0.10000E+01 volume 0.49326E-03 ppm1 3.922 ppm2 8.344 CV 1
ASSI { 2182}
((resid 71 and name HB2 ))
((resid 84 and name HB2 ))
3.800 1.800 1.800 peak 2182 weight 0.10000E+01 volume 0.30957E-03 ppm1 3.917 ppm2 1.653 CV 1
ASSI { 2183}
((resid 71 and name HA ))
((resid 72 and name HN ))
2.800 1.000 1.000 peak 2183 weight 0.10000E+01 volume 0.19421E-02 ppm1 4.636 ppm2 8.510 CV 1
ASSI { 2187}
((resid 70 and name HB2 ))
( resid 115 and name HD% )
3.600 1.600 1.600 peak 2187 weight 0.10000E+01 volume 0.46899E-03 ppm1 2.929 ppm2 7.384 CV 1
ASSI { 2188}
((resid 70 and name HB2 ))
( resid 115 and name HE% )
3.200 1.300 1.300 peak 2188 weight 0.10000E+01 volume 0.90474E-03 ppm1 2.932 ppm2 7.057 CV 1
ASSI { 2189}
((resid 70 and name HB2 ))
((resid 70 and name HD2 ))
3.500 1.600 1.600 peak 2189 weight 0.10000E+01 volume 0.49976E-03 ppm1 2.933 ppm2 6.415 CV 1
ASSI { 2192}
((resid 70 and name HB2 ))
((resid 70 and name HB3 ))
1.700 0.400 0.500 peak 2192 weight 0.10000E+01 volume 0.37915E-01 ppm1 2.930 ppm2 2.493 CV 1
ASSI { 2194}
((resid 70 and name HB3 ))
((resid 70 and name HN ))
3.100 1.200 1.200 peak 2194 weight 0.10000E+01 volume 0.12340E-02 ppm1 2.502 ppm2 7.516 CV 1
ASSI { 2195}
((resid 70 and name HB3 ))
( resid 115 and name HD% )
3.800 1.800 1.800 peak 2195 weight 0.10000E+01 volume 0.31637E-03 ppm1 2.503 ppm2 7.388 CV 1
ASSI { 2196}
((resid 70 and name HB3 ))
( resid 115 and name HE% )
3.200 1.300 1.300 peak 2196 weight 0.10000E+01 volume 0.85309E-03 ppm1 2.503 ppm2 7.057 CV 1
ASSI { 2197}
((resid 70 and name HB3 ))
((resid 70 and name HD2 ))
3.700 1.700 1.700 peak 2197 weight 0.10000E+01 volume 0.36632E-03 ppm1 2.505 ppm2 6.427 CV 1
ASSI { 2203}
((resid 70 and name HA ))
((resid 70 and name HB3 ))
2.900 1.000 1.000 peak 2203 weight 0.10000E+01 volume 0.17690E-02 ppm1 4.592 ppm2 2.502 CV 1
ASSI { 2204}
((resid 70 and name HA ))
((resid 70 and name HB2 ))
2.800 1.000 1.000 peak 2204 weight 0.10000E+01 volume 0.22236E-02 ppm1 4.591 ppm2 2.931 CV 1
ASSI { 2206}
((resid 69 and name HA ))
((resid 69 and name HN ))
2.700 0.900 0.900 peak 2206 weight 0.10000E+01 volume 0.23333E-02 ppm1 4.064 ppm2 9.455 CV 1
ASSI { 2207}
((resid 69 and name HA ))
((resid 85 and name HN ))
3.800 1.900 1.900 peak 2207 weight 0.10000E+01 volume 0.30647E-03 ppm1 4.060 ppm2 8.836 CV 1
ASSI { 2208}
((resid 69 and name HA ))
((resid 70 and name HN ))
3.000 1.100 1.100 peak 2208 weight 0.10000E+01 volume 0.14955E-02 ppm1 4.058 ppm2 7.520 CV 1
ASSI { 2209}
((resid 69 and name HA ))
((resid 116 and name HA ))
4.300 2.300 1.700 peak 2209 weight 0.10000E+01 volume 0.15107E-03 ppm1 4.063 ppm2 5.238 CV 1
ASSI { 2213}
((resid 69 and name HA ))
( resid 68 and name HB% )
3.400 1.400 1.400 peak 2213 weight 0.10000E+01 volume 0.68068E-03 ppm1 4.061 ppm2 1.661 CV 1
ASSI { 2214}
((resid 69 and name HA ))
((resid 69 and name HG ))
2.500 0.800 0.800 peak 2214 weight 0.10000E+01 volume 0.37111E-02 ppm1 4.061 ppm2 1.351 CV 1
ASSI { 2215}
((resid 69 and name HA ))
((resid 69 and name HB2 ))
2.600 0.800 0.800 peak 2215 weight 0.10000E+01 volume 0.33616E-02 ppm1 4.062 ppm2 1.238 CV 1
ASSI { 2216}
((resid 69 and name HA ))
((resid 69 and name HB3 ))
2.200 0.600 0.600 peak 2216 weight 0.10000E+01 volume 0.87272E-02 ppm1 4.061 ppm2 1.090 CV 1
ASSI { 2217}
((resid 69 and name HA ))
( resid 69 and name HD2%)
2.000 0.500 0.500 peak 2217 weight 0.10000E+01 volume 0.15012E-01 ppm1 4.061 ppm2 0.673 CV 1
ASSI { 2218}
((resid 69 and name HB2 ))
((resid 69 and name HN ))
2.600 0.800 0.800 peak 2218 weight 0.10000E+01 volume 0.35812E-02 ppm1 1.235 ppm2 9.457 CV 1
ASSI { 2219}
((resid 69 and name HB3 ))
((resid 69 and name HN ))
2.900 1.000 1.000 peak 2219 weight 0.10000E+01 volume 0.17551E-02 ppm1 1.107 ppm2 9.457 CV 1
ASSI { 2222}
((resid 69 and name HB2 ))
((resid 70 and name HD2 ))
3.600 1.600 1.600 peak 2222 weight 0.10000E+01 volume 0.45739E-03 ppm1 1.236 ppm2 6.424 CV 1
ASSI { 2223}
((resid 69 and name HB3 ))
((resid 70 and name HD2 ))
3.600 1.600 1.600 peak 2223 weight 0.10000E+01 volume 0.44518E-03 ppm1 1.114 ppm2 6.432 CV 1
ASSI { 2224}
((resid 69 and name HB2 ))
((resid 116 and name HA ))
3.900 1.900 1.900 peak 2224 weight 0.10000E+01 volume 0.29364E-03 ppm1 1.236 ppm2 5.246 CV 1
ASSI { 2227}
((resid 69 and name HG ))
((resid 69 and name HN ))
2.400 0.700 0.700 peak 2227 weight 0.10000E+01 volume 0.52218E-02 ppm1 1.362 ppm2 9.457 CV 1
ASSI { 2228}
((resid 69 and name HG ))
((resid 117 and name HN ))
3.300 1.100 1.100 peak 2228 weight 0.10000E+01 volume 0.14736E-02 ppm1 1.359 ppm2 8.570 CV 1
ASSI { 2230}
((resid 69 and name HG ))
((resid 116 and name HA ))
2.700 0.900 0.900 peak 2230 weight 0.10000E+01 volume 0.25947E-02 ppm1 1.361 ppm2 5.244 CV 1
ASSI { 2238}
((resid 67 and name HG13))
((resid 119 and name HA ))
3.600 1.700 1.700 peak 2238 weight 0.10000E+01 volume 0.43311E-03 ppm1 1.343 ppm2 4.263 CV 1
ASSI { 2242}
((resid 67 and name HG13))
((resid 67 and name HG12))
1.900 0.400 0.400 peak 2242 weight 0.10000E+01 volume 0.24401E-01 ppm1 1.343 ppm2 1.036 CV 1
ASSI { 2243}
((resid 67 and name HG13))
( resid 67 and name HD1%)
2.100 0.500 0.500 peak 2243 weight 0.10000E+01 volume 0.12710E-01 ppm1 1.344 ppm2 0.786 CV 1
ASSI { 2244}
((resid 67 and name HG12))
((resid 67 and name HN ))
3.200 1.300 1.300 peak 2244 weight 0.10000E+01 volume 0.95375E-03 ppm1 1.038 ppm2 8.966 CV 1
ASSI { 2245}
((resid 67 and name HG12))
((resid 85 and name HN ))
4.200 2.200 1.800 peak 2245 weight 0.10000E+01 volume 0.19483E-03 ppm1 1.037 ppm2 8.838 CV 1
ASSI { 2246}
((resid 67 and name HG12))
((resid 68 and name HN ))
3.100 1.200 1.200 peak 2246 weight 0.10000E+01 volume 0.10744E-02 ppm1 1.037 ppm2 8.547 CV 1
ASSI { 2247}
((resid 67 and name HG12))
((resid 87 and name HA ))
3.800 1.800 1.800 peak 2247 weight 0.10000E+01 volume 0.33153E-03 ppm1 1.038 ppm2 5.238 CV 1
ASSI { 2248}
((resid 67 and name HG12))
((resid 119 and name HA ))
3.600 1.600 1.600 peak 2248 weight 0.10000E+01 volume 0.44471E-03 ppm1 1.037 ppm2 4.259 CV 1
ASSI { 2251}
((resid 67 and name HG12))
((resid 87 and name HG2 ))
3.400 1.400 1.400 peak 2251 weight 0.10000E+01 volume 0.70464E-03 ppm1 1.038 ppm2 2.085 CV 1
ASSI { 2255}
((resid 67 and name HG12))
( resid 67 and name HD1%)
2.000 0.500 0.500 peak 2255 weight 0.10000E+01 volume 0.13767E-01 ppm1 1.037 ppm2 0.792 CV 1
ASSI { 2257}
((resid 67 and name HB ))
((resid 68 and name HN ))
6.00 6.000 1.000 peak 2257 weight 0.10000E+01 volume 0.18850E-02 ppm1 1.559 ppm2 8.548 CV 1
ASSI { 2260}
((resid 67 and name HB ))
((resid 119 and name HA ))
3.200 1.300 1.300 peak 2260 weight 0.10000E+01 volume 0.94138E-03 ppm1 1.555 ppm2 4.268 CV 1
ASSI { 2261}
((resid 67 and name HB ))
((resid 87 and name HG2 ))
3.100 1.200 1.200 peak 2261 weight 0.10000E+01 volume 0.11320E-02 ppm1 1.559 ppm2 2.086 CV 1
ASSI { 2262}
((resid 67 and name HB ))
((resid 87 and name HB2 ))
5.600 1.600 1.600 peak 2262 weight 0.10000E+01 volume 0.49280E-03 ppm1 1.560 ppm2 1.997 CV 1
ASSI { 2264}
((resid 67 and name HB ))
( resid 69 and name HD2%)
6.000 1.100 1.000 peak 2264 weight 0.10000E+01 volume 0.16514E-02 ppm1 1.560 ppm2 0.674 CV 1
OR { 2264}
((resid 67 and name HB ))
( resid 69 and name HD1%)
ASSI { 2265}
((resid 67 and name HB ))
( resid 67 and name HG2%)
2.200 0.600 0.600 peak 2265 weight 0.10000E+01 volume 0.89995E-02 ppm1 1.559 ppm2 0.778 CV 1
OR { 2265}
((resid 67 and name HB ))
( resid 67 and name HD1%)
ASSI { 2266}
((resid 67 and name HB ))
((resid 67 and name HG12))
2.600 0.800 0.800 peak 2266 weight 0.10000E+01 volume 0.33184E-02 ppm1 1.559 ppm2 1.035 CV 1
ASSI { 2267}
((resid 67 and name HB ))
( resid 119 and name HB% )
3.500 0.800 0.800 peak 2267 weight 0.10000E+01 volume 0.46003E-02 ppm1 1.559 ppm2 1.244 CV 1
ASSI { 2268}
((resid 67 and name HB ))
((resid 67 and name HG13))
2.100 0.600 0.600 peak 2268 weight 0.10000E+01 volume 0.10748E-01 ppm1 1.557 ppm2 1.342 CV 1
ASSI { 2270}
( resid 65 and name HD2%)
((resid 88 and name HN ))
3.000 1.100 1.100 peak 2270 weight 0.10000E+01 volume 0.14574E-02 ppm1 0.842 ppm2 8.755 CV 1
ASSI { 2274}
( resid 65 and name HD2%)
((resid 87 and name HE22))
3.600 1.600 1.600 peak 2274 weight 0.10000E+01 volume 0.44007E-03 ppm1 0.845 ppm2 6.712 CV 1
ASSI { 2275}
( resid 65 and name HD2%)
((resid 65 and name HA ))
2.900 1.100 1.100 peak 2275 weight 0.10000E+01 volume 0.16483E-02 ppm1 0.845 ppm2 5.192 CV 1
ASSI { 2276}
( resid 65 and name HD2%)
((resid 89 and name HA ))
3.200 1.300 1.300 peak 2276 weight 0.10000E+01 volume 0.89052E-03 ppm1 0.844 ppm2 5.013 CV 1
ASSI { 2280}
((resid 65 and name HB2 ))
((resid 65 and name HN ))
2.400 0.700 0.700 peak 2280 weight 0.10000E+01 volume 0.58156E-02 ppm1 1.677 ppm2 7.897 CV 1
ASSI { 2281}
((resid 65 and name HB2 ))
((resid 65 and name HA ))
2.600 0.800 0.800 peak 2281 weight 0.10000E+01 volume 0.32812E-02 ppm1 1.677 ppm2 5.192 CV 1
ASSI { 2283}
((resid 65 and name HB2 ))
((resid 65 and name HG ))
3.600 1.000 1.000 peak 2283 weight 0.10000E+01 volume 0.12231E-01 ppm1 1.680 ppm2 1.514 CV 1
ASSI { 2285}
((resid 65 and name HB2 ))
( resid 119 and name HB% )
3.800 1.200 1.200 peak 2285 weight 0.10000E+01 volume 0.12009E-02 ppm1 1.677 ppm2 1.256 CV 1
ASSI { 2287}
((resid 65 and name HB2 ))
( resid 65 and name HD2%)
2.600 0.800 0.800 peak 2287 weight 0.10000E+01 volume 0.32936E-02 ppm1 1.678 ppm2 0.842 CV 1
ASSI { 2292}
((resid 64 and name HB3 ))
((resid 65 and name HN ))
3.500 1.500 1.500 peak 2292 weight 0.10000E+01 volume 0.56765E-03 ppm1 2.978 ppm2 7.893 CV 1
ASSI { 2293}
((resid 64 and name HB2 ))
((resid 65 and name HN ))
3.600 1.600 1.600 peak 2293 weight 0.10000E+01 volume 0.47548E-03 ppm1 2.875 ppm2 7.889 CV 1
ASSI { 2294}
((resid 64 and name HB2 ))
((resid 64 and name HD21))
2.600 0.900 0.900 peak 2294 weight 0.10000E+01 volume 0.31591E-02 ppm1 2.871 ppm2 7.322 CV 1
ASSI { 2295}
((resid 64 and name HB3 ))
((resid 64 and name HD21))
2.600 0.900 0.900 peak 2295 weight 0.10000E+01 volume 0.29535E-02 ppm1 2.978 ppm2 7.322 CV 1
ASSI { 2298}
((resid 64 and name HB3 ))
((resid 90 and name HG12))
3.700 1.700 1.700 peak 2298 weight 0.10000E+01 volume 0.38549E-03 ppm1 2.974 ppm2 1.564 CV 1
ASSI { 2299}
((resid 64 and name HB2 ))
((resid 90 and name HG12))
3.600 1.600 1.600 peak 2299 weight 0.10000E+01 volume 0.46436E-03 ppm1 2.874 ppm2 1.564 CV 1
ASSI { 2301}
((resid 64 and name HB3 ))
((resid 90 and name HB ))
2.900 1.000 1.000 peak 2301 weight 0.10000E+01 volume 0.17056E-02 ppm1 2.977 ppm2 1.965 CV 1
ASSI { 2304}
((resid 64 and name HB3 ))
((resid 64 and name HB2 ))
1.600 0.300 0.600 peak 2304 weight 0.10000E+01 volume 0.60970E-01 ppm1 2.876 ppm2 2.960 CV 1
ASSI { 2306}
((resid 64 and name HB2 ))
((resid 89 and name HG2 ))
4.000 2.000 2.000 peak 2306 weight 0.10000E+01 volume 0.25654E-03 ppm1 2.875 ppm2 1.271 CV 1
ASSI { 2307}
((resid 64 and name HB2 ))
( resid 90 and name HD1%)
4.000 2.000 2.000 peak 2307 weight 0.10000E+01 volume 0.23441E-03 ppm1 2.875 ppm2 0.770 CV 1
ASSI { 2308}
((resid 64 and name HB2 ))
( resid 90 and name HG2%)
3.600 1.600 1.600 peak 2308 weight 0.10000E+01 volume 0.46713E-03 ppm1 2.872 ppm2 0.546 CV 1
ASSI { 2310}
((resid 64 and name HB3 ))
( resid 90 and name HD1%)
3.600 1.600 1.600 peak 2310 weight 0.10000E+01 volume 0.48399E-03 ppm1 2.980 ppm2 0.768 CV 1
ASSI { 2311}
((resid 64 and name HB3 ))
((resid 89 and name HG2 ))
3.900 1.900 1.900 peak 2311 weight 0.10000E+01 volume 0.28529E-03 ppm1 2.978 ppm2 1.269 CV 1
ASSI { 2372}
( resid 65 and name HD2%)
((resid 87 and name HB3 ))
3.100 1.200 1.200 peak 2372 weight 0.10000E+01 volume 0.12083E-02 ppm1 0.843 ppm2 2.083 CV 1
ASSI { 2449}
((resid 92 and name HA ))
((resid 91 and name HN ))
4.000 2.000 2.000 peak 2449 weight 0.10000E+01 volume 0.23148E-03 ppm1 4.304 ppm2 9.212 CV 1
ASSI { 2450}
((resid 92 and name HA ))
((resid 92 and name HB3 ))
2.200 0.600 0.600 peak 2450 weight 0.10000E+01 volume 0.89485E-02 ppm1 4.302 ppm2 2.035 CV 1
ASSI { 2454}
((resid 115 and name HB3 ))
( resid 82 and name HD% )
3.400 1.500 1.500 peak 2454 weight 0.10000E+01 volume 0.62145E-03 ppm1 3.629 ppm2 6.967 CV 1
ASSI { 2456}
( resid 69 and name HD1%)
((resid 69 and name HB2 ))
3.300 0.800 0.800 peak 2456 weight 0.10000E+01 volume 0.44348E-02 ppm1 0.655 ppm2 1.223 CV 1
ASSI { 2457}
( resid 69 and name HD2%)
((resid 69 and name HB2 ))
2.500 0.800 0.800 peak 2457 weight 0.10000E+01 volume 0.44981E-02 ppm1 0.681 ppm2 1.232 CV 1
ASSI { 2459}
( resid 66 and name HG1%)
((resid 118 and name HN ))
3.600 1.600 1.600 peak 2459 weight 0.10000E+01 volume 0.48337E-03 ppm1 0.790 ppm2 8.606 CV 1
ASSI { 2460}
((resid 118 and name HG3 ))
((resid 120 and name HN ))
4.400 2.400 1.600 peak 2460 weight 0.10000E+01 volume 0.13375E-03 ppm1 1.755 ppm2 7.915 CV 1
ASSI { 2461}
((resid 118 and name HB2 ))
((resid 120 and name HN ))
4.000 2.000 2.000 peak 2461 weight 0.10000E+01 volume 0.24632E-03 ppm1 1.897 ppm2 7.913 CV 1
ASSI { 2462}
((resid 87 and name HB2 ))
((resid 103 and name HN ))
4.600 2.600 1.400 peak 2462 weight 0.10000E+01 volume 0.11103E-03 ppm1 2.006 ppm2 8.869 CV 1
ASSI { 2463}
((resid 87 and name HB2 ))
((resid 66 and name HN ))
4.600 2.600 1.400 peak 2463 weight 0.10000E+01 volume 0.10530E-03 ppm1 2.006 ppm2 9.042 CV 1
ASSI { 2464}
( resid 90 and name HG2%)
((resid 93 and name HE21))
5.000 3.100 1.000 peak 2464 weight 0.10000E+01 volume 0.64481E-04 ppm1 0.552 ppm2 6.515 CV 1
ASSI { 2465}
((resid 99 and name HD2 ))
((resid 92 and name HN ))
4.600 2.700 1.400 peak 2465 weight 0.10000E+01 volume 0.99891E-04 ppm1 1.102 ppm2 7.678 CV 1
ASSI { 2466}
((resid 99 and name HG3 ))
((resid 92 and name HN ))
4.000 2.000 2.000 peak 2466 weight 0.10000E+01 volume 0.23597E-03 ppm1 1.363 ppm2 7.672 CV 1
ASSI { 2468}
((resid 99 and name HB2 ))
((resid 98 and name HA ))
4.800 2.800 1.200 peak 2468 weight 0.10000E+01 volume 0.86438E-04 ppm1 1.579 ppm2 5.440 CV 1
ASSI { 2469}
((resid 99 and name HB3 ))
((resid 100 and name HA ))
4.000 2.000 2.000 peak 2469 weight 0.10000E+01 volume 0.26179E-03 ppm1 1.663 ppm2 5.455 CV 1
ASSI { 2470}
((resid 89 and name HD3 ))
((resid 101 and name HN ))
4.900 3.000 1.100 peak 2470 weight 0.10000E+01 volume 0.74686E-04 ppm1 3.129 ppm2 8.954 CV 1
ASSI { 2471}
((resid 89 and name HD3 ))
((resid 89 and name HN ))
5.300 3.500 0.700 peak 2471 weight 0.10000E+01 volume 0.46698E-04 ppm1 3.129 ppm2 8.752 CV 1
ASSI { 2472}
((resid 89 and name HD2 ))
((resid 89 and name HN ))
4.200 2.200 1.800 peak 2472 weight 0.10000E+01 volume 0.18896E-03 ppm1 3.173 ppm2 8.753 CV 1
ASSI { 2473}
((resid 103 and name HG ))
((resid 103 and name HA ))
2.600 0.900 0.900 peak 2473 weight 0.10000E+01 volume 0.30864E-02 ppm1 1.702 ppm2 4.292 CV 1
ASSI { 2475}
((resid 103 and name HG ))
((resid 104 and name HN ))
4.100 2.100 1.900 peak 2475 weight 0.10000E+01 volume 0.19607E-03 ppm1 1.707 ppm2 8.475 CV 1
ASSI { 2476}
((resid 103 and name HG ))
((resid 89 and name HN ))
3.400 1.400 1.400 peak 2476 weight 0.10000E+01 volume 0.70264E-03 ppm1 1.703 ppm2 8.759 CV 1
ASSI { 2477}
((resid 103 and name HG ))
((resid 103 and name HN ))
2.800 1.000 1.000 peak 2477 weight 0.10000E+01 volume 0.21478E-02 ppm1 1.702 ppm2 8.875 CV 1
ASSI { 2481}
((resid 120 and name HA ))
((resid 120 and name HB3 ))
2.500 0.800 0.800 peak 2481 weight 0.10000E+01 volume 0.40853E-02 ppm1 4.423 ppm2 2.693 CV 1
OR { 2481}
((resid 120 and name HA ))
((resid 120 and name HB2 ))
ASSI { 2485}
((resid 120 and name HB2 ))
((resid 120 and name HD22))
4.000 2.000 2.000 peak 2485 weight 0.10000E+01 volume 0.24107E-03 ppm1 2.676 ppm2 7.496 CV 1
ASSI { 2486}
((resid 120 and name HB3 ))
((resid 120 and name HA ))
3.600 1.600 1.600 peak 2486 weight 0.10000E+01 volume 0.45183E-03 ppm1 2.715 ppm2 4.420 CV 1
ASSI { 2487}
((resid 120 and name HB2 ))
((resid 120 and name HA ))
3.100 1.200 1.200 peak 2487 weight 0.10000E+01 volume 0.11748E-02 ppm1 2.674 ppm2 4.420 CV 1
ASSI { 2506}
((resid 65 and name HB2 ))
((resid 88 and name HN ))
5.700 4.100 0.300 peak 2506 weight 0.10000E+01 volume 0.28761E-04 ppm1 1.674 ppm2 8.757 CV 1
ASSI { 2508}
((resid 74 and name HG2 ))
((resid 81 and name HN ))
3.600 1.600 1.600 peak 2508 weight 0.10000E+01 volume 0.47286E-03 ppm1 2.045 ppm2 8.188 CV 1
ASSI { 2509}
((resid 74 and name HG3 ))
((resid 75 and name HN ))
4.600 2.700 1.400 peak 2509 weight 0.10000E+01 volume 0.98808E-04 ppm1 1.804 ppm2 8.573 CV 1
ASSI { 2510}
((resid 74 and name HG3 ))
((resid 74 and name HA ))
3.400 1.500 1.500 peak 2510 weight 0.10000E+01 volume 0.59269E-03 ppm1 1.804 ppm2 3.973 CV 1
ASSI { 2511}
((resid 74 and name HG3 ))
((resid 81 and name HA2 ))
3.400 1.400 1.400 peak 2511 weight 0.10000E+01 volume 0.67341E-03 ppm1 1.802 ppm2 4.360 CV 1
ASSI { 2512}
((resid 74 and name HG3 ))
((resid 73 and name HA ))
3.600 1.600 1.600 peak 2512 weight 0.10000E+01 volume 0.44873E-03 ppm1 1.798 ppm2 4.511 CV 1
ASSI { 2515}
( resid 67 and name HG2%)
((resid 69 and name HN ))
5.200 3.400 0.800 peak 2515 weight 0.10000E+01 volume 0.49326E-04 ppm1 0.771 ppm2 9.464 CV 1
ASSI { 2516}
((resid 70 and name HB3 ))
((resid 69 and name HN ))
4.600 2.700 1.400 peak 2516 weight 0.10000E+01 volume 0.99581E-04 ppm1 2.502 ppm2 9.455 CV 1
ASSI { 2517}
((resid 70 and name HB2 ))
((resid 69 and name HN ))
4.700 2.800 1.300 peak 2517 weight 0.10000E+01 volume 0.92314E-04 ppm1 2.930 ppm2 9.451 CV 1
ASSI { 2519}
((resid 86 and name HB2 ))
((resid 68 and name HN ))
4.600 2.700 1.400 peak 2519 weight 0.10000E+01 volume 0.10422E-03 ppm1 2.392 ppm2 8.538 CV 1
ASSI { 2520}
((resid 64 and name HB3 ))
((resid 89 and name HG3 ))
4.200 2.200 1.800 peak 2520 weight 0.10000E+01 volume 0.17195E-03 ppm1 2.974 ppm2 1.460 CV 1
ASSI { 2540}
((resid 80 and name HA ))
((resid 80 and name HB3 ))
2.600 0.900 0.900 peak 2540 weight 0.10000E+01 volume 0.29457E-02 ppm1 4.541 ppm2 13.030 CV 1
ASSI { 2541}
((resid 80 and name HA ))
((resid 80 and name HB2 ))
2.200 0.600 0.600 peak 2541 weight 0.10000E+01 volume 0.78629E-02 ppm1 4.540 ppm2 12.067 CV 1
ASSI { 2544}
((resid 80 and name HA ))
((resid 81 and name HN ))
2.100 0.500 0.500 peak 2544 weight 0.10000E+01 volume 0.13221E-01 ppm1 4.542 ppm2 19.450 CV 1
ASSI { 2559}
((resid 96 and name HB2 ))
( resid 113 and name HD% )
3.100 1.200 1.200 peak 2559 weight 0.10000E+01 volume 0.11154E-02 ppm1 1.847 ppm2 6.904 CV 1
ASSI { 2560}
((resid 96 and name HB2 ))
((resid 97 and name HD1 ))
3.500 1.500 1.500 peak 2560 weight 0.10000E+01 volume 0.57012E-03 ppm1 1.842 ppm2 7.089 CV 1
ASSI { 2561}
((resid 96 and name HB2 ))
((resid 96 and name HN ))
3.300 1.300 1.300 peak 2561 weight 0.10000E+01 volume 0.79510E-03 ppm1 1.847 ppm2 8.624 CV 1
ASSI { 2562}
((resid 96 and name HB2 ))
((resid 96 and name HA ))
2.500 0.800 0.800 peak 2562 weight 0.10000E+01 volume 0.43296E-02 ppm1 1.845 ppm2 3.784 CV 1
ASSI { 2565}
((resid 102 and name HB2 ))
((resid 103 and name HN ))
3.500 1.600 1.600 peak 2565 weight 0.10000E+01 volume 0.50517E-03 ppm1 4.212 ppm2 20.142 CV 1
ASSI { 2566}
((resid 102 and name HB3 ))
((resid 103 and name HN ))
4.300 2.300 1.700 peak 2566 weight 0.10000E+01 volume 0.16530E-03 ppm1 4.051 ppm2 20.140 CV 1
ASSI { 2579}
((resid 118 and name HE3 ))
((resid 98 and name HE3 ))
6.000 4.500 0.000 peak 2579 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.042 ppm2 7.210 CV 1
OR { 2579}
((resid 118 and name HE2 ))
((resid 98 and name HE3 ))
ASSI { 2585}
((resid 117 and name HB% ))
((resid 66 and name HG1% ))
5.800 2.300 0.800
Contact the webmaster for help, if required. Thursday, May 2, 2024 12:47:28 PM GMT (wattos1)