NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
|
|
7097 |
1jzu   |
4664 | cing | recoord | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
(( segid "PEPT" and resid 97 and name HB ))
(( segid "PEPT" and resid 126 and name HA ))
4.600 4.600 1.400 peak 1 weight 0.10000E+01 volume 0.39502E-03 ppm1 2.180 ppm2 4.172 CV 1
ASSI { 15}
(( segid "PEPT" and resid 147 and name HB2 ))
(( segid "PEPT" and resid 147 and name HA ))
2.800 1.000 1.000 peak 15 weight 0.10000E+01 volume 0.35299E-02 ppm1 2.395 ppm2 4.574 CV 1
ASSI { 16}
(( segid "PEPT" and resid 147 and name HB2 ))
(( segid "PEPT" and resid 147 and name HG2 ))
2.300 0.700 0.700 peak 16 weight 0.10000E+01 volume 0.61691E-02 ppm1 2.397 ppm2 2.131 CV 1
OR { 16}
(( segid "PEPT" and resid 147 and name HB2 ))
(( segid "PEPT" and resid 147 and name HG1 ))
ASSI { 18}
(( segid "PEPT" and resid 147 and name HB2 ))
(( segid "PEPT" and resid 147 and name HD2 ))
3.400 1.500 1.500 peak 18 weight 0.10000E+01 volume 0.21886E-02 ppm1 2.387 ppm2 4.095 CV 1
OR { 18}
(( segid "PEPT" and resid 147 and name HB2 ))
(( segid "PEPT" and resid 147 and name HD1 ))
ASSI { 22}
(( segid "PEPT" and resid 32 and name HB1 ))
(( segid "PEPT" and resid 32 and name HG2 ))
3.100 1.200 1.200 peak 22 weight 0.10000E+01 volume 0.16811E-02 ppm1 2.117 ppm2 2.880 CV 1
OR { 22}
(( segid "PEPT" and resid 32 and name HB2 ))
(( segid "PEPT" and resid 32 and name HG1 ))
OR { 22}
(( segid "PEPT" and resid 32 and name HB2 ))
(( segid "PEPT" and resid 32 and name HG2 ))
OR { 22}
(( segid "PEPT" and resid 32 and name HB1 ))
(( segid "PEPT" and resid 32 and name HG1 ))
ASSI { 25}
(( segid "PEPT" and resid 147 and name HB1 ))
(( segid "PEPT" and resid 147 and name HA ))
2.600 0.800 0.800 peak 25 weight 0.10000E+01 volume 0.18623E-02 ppm1 1.932 ppm2 4.574 CV 1
ASSI { 26}
(( segid "PEPT" and resid 131 and name HB1 ))
(( segid "PEPT" and resid 131 and name HE2 ))
4.100 2.100 1.900 peak 26 weight 0.10000E+01 volume 0.62357E-03 ppm1 1.930 ppm2 2.923 CV 1
OR { 26}
(( segid "PEPT" and resid 131 and name HB2 ))
(( segid "PEPT" and resid 131 and name HE2 ))
OR { 26}
(( segid "PEPT" and resid 131 and name HB2 ))
(( segid "PEPT" and resid 131 and name HE1 ))
OR { 26}
(( segid "PEPT" and resid 131 and name HB1 ))
(( segid "PEPT" and resid 131 and name HE1 ))
ASSI { 27}
(( segid "PEPT" and resid 147 and name HB1 ))
(( segid "PEPT" and resid 147 and name HB2 ))
1.600 0.300 0.600 peak 27 weight 0.10000E+01 volume 0.93577E-02 ppm1 1.927 ppm2 2.381 CV 1
ASSI { 30}
(( segid "PEPT" and resid 147 and name HB2 ))
(( segid "PEPT" and resid 154 and name HN ))
4.000 2.000 2.000 peak 30 weight 0.10000E+01 volume 0.12078E-02 ppm1 2.389 ppm2 6.938 CV 1
ASSI { 31}
(( segid "PEPT" and resid 36 and name HG1 ))
( segid "PEPT" and resid 52 and name HB% )
4.400 2.400 1.600 peak 31 weight 0.10000E+01 volume 0.12694E-02 ppm1 2.365 ppm2 0.932 CV 1
OR { 31}
(( segid "PEPT" and resid 36 and name HG2 ))
( segid "PEPT" and resid 52 and name HB% )
ASSI { 35}
(( segid "PEPT" and resid 107 and name HB1 ))
(( segid "PEPT" and resid 108 and name HN ))
3.700 1.700 1.700 peak 35 weight 0.10000E+01 volume 0.19186E-02 ppm1 1.814 ppm2 8.633 CV 1
OR { 35}
(( segid "PEPT" and resid 107 and name HB2 ))
(( segid "PEPT" and resid 108 and name HN ))
ASSI { 44}
(( segid "PEPT" and resid 36 and name HG2 ))
(( segid "PEPT" and resid 36 and name HA ))
3.000 1.100 1.100 peak 44 weight 0.10000E+01 volume 0.18500E-02 ppm1 2.351 ppm2 5.215 CV 1
OR { 44}
(( segid "PEPT" and resid 36 and name HG1 ))
(( segid "PEPT" and resid 36 and name HA ))
ASSI { 46}
(( segid "PEPT" and resid 36 and name HG2 ))
(( segid "PEPT" and resid 15 and name HN ))
3.700 1.700 1.700 peak 46 weight 0.10000E+01 volume 0.18564E-02 ppm1 2.344 ppm2 8.936 CV 1
OR { 46}
(( segid "PEPT" and resid 36 and name HG1 ))
(( segid "PEPT" and resid 15 and name HN ))
ASSI { 49}
(( segid "PEPT" and resid 154 and name HB ))
(( segid "PEPT" and resid 155 and name HN ))
3.600 1.600 1.600 peak 49 weight 0.10000E+01 volume 0.32119E-02 ppm1 1.997 ppm2 8.414 CV 1
ASSI { 54}
(( segid "PEPT" and resid 131 and name HB2 ))
(( segid "PEPT" and resid 131 and name HA ))
2.400 0.700 0.700 peak 54 weight 0.10000E+01 volume 0.60503E-02 ppm1 1.916 ppm2 4.071 CV 1
OR { 54}
(( segid "PEPT" and resid 131 and name HB1 ))
(( segid "PEPT" and resid 131 and name HA ))
ASSI { 56}
(( segid "PEPT" and resid 107 and name HB1 ))
(( segid "PEPT" and resid 107 and name HA ))
2.700 0.900 0.900 peak 56 weight 0.10000E+01 volume 0.25492E-02 ppm1 1.808 ppm2 4.654 CV 1
OR { 56}
(( segid "PEPT" and resid 107 and name HB2 ))
(( segid "PEPT" and resid 107 and name HA ))
ASSI { 57}
(( segid "PEPT" and resid 107 and name HB2 ))
(( segid "PEPT" and resid 107 and name HD2 ))
3.500 1.600 1.600 peak 57 weight 0.10000E+01 volume 0.18788E-02 ppm1 1.809 ppm2 3.217 CV 1
OR { 57}
(( segid "PEPT" and resid 107 and name HB2 ))
(( segid "PEPT" and resid 107 and name HD1 ))
OR { 57}
(( segid "PEPT" and resid 107 and name HB1 ))
(( segid "PEPT" and resid 107 and name HD1 ))
OR { 57}
(( segid "PEPT" and resid 107 and name HB1 ))
(( segid "PEPT" and resid 107 and name HD2 ))
ASSI { 61}
(( segid "PEPT" and resid 4 and name HB2 ))
(( segid "PEPT" and resid 4 and name HA ))
2.900 1.000 1.000 peak 61 weight 0.10000E+01 volume 0.42739E-02 ppm1 2.032 ppm2 4.197 CV 1
ASSI { 67}
(( segid "PEPT" and resid 4 and name HB1 ))
(( segid "PEPT" and resid 4 and name HA ))
2.400 0.700 0.700 peak 67 weight 0.10000E+01 volume 0.30244E-02 ppm1 1.646 ppm2 4.219 CV 1
ASSI { 69}
(( segid "PEPT" and resid 4 and name HB1 ))
(( segid "PEPT" and resid 4 and name HB2 ))
1.900 0.500 0.500 peak 69 weight 0.10000E+01 volume 0.39943E-02 ppm1 1.645 ppm2 2.040 CV 1
ASSI { 75}
(( segid "PEPT" and resid 123 and name HB2 ))
(( segid "PEPT" and resid 124 and name HN ))
3.700 1.700 1.700 peak 75 weight 0.10000E+01 volume 0.20807E-02 ppm1 1.966 ppm2 8.018 CV 1
ASSI { 77}
(( segid "PEPT" and resid 123 and name HB1 ))
(( segid "PEPT" and resid 123 and name HA ))
3.200 1.300 1.300 peak 77 weight 0.10000E+01 volume 0.20189E-02 ppm1 2.372 ppm2 4.365 CV 1
ASSI { 81}
(( segid "PEPT" and resid 123 and name HB2 ))
(( segid "PEPT" and resid 122 and name HA ))
3.900 1.900 1.900 peak 81 weight 0.10000E+01 volume 0.42552E-02 ppm1 1.951 ppm2 4.754 CV 1
ASSI { 82}
(( segid "PEPT" and resid 123 and name HB2 ))
(( segid "PEPT" and resid 123 and name HA ))
2.600 0.800 0.800 peak 82 weight 0.10000E+01 volume 0.25674E-02 ppm1 1.948 ppm2 4.367 CV 1
ASSI { 84}
(( segid "PEPT" and resid 123 and name HB2 ))
(( segid "PEPT" and resid 123 and name HB1 ))
1.700 0.400 0.500 peak 84 weight 0.10000E+01 volume 0.80178E-02 ppm1 1.956 ppm2 2.364 CV 1
ASSI { 88}
(( segid "PEPT" and resid 117 and name HB2 ))
(( segid "PEPT" and resid 118 and name HN ))
2.700 0.900 0.900 peak 88 weight 0.10000E+01 volume 0.13748E-02 ppm1 1.876 ppm2 7.953 CV 1
ASSI { 91}
(( segid "PEPT" and resid 117 and name HB1 ))
(( segid "PEPT" and resid 117 and name HB2 ))
1.800 0.400 0.400 peak 91 weight 0.10000E+01 volume 0.38137E-02 ppm1 1.347 ppm2 1.879 CV 1
ASSI { 95}
(( segid "PEPT" and resid 145 and name HG2 ))
(( segid "PEPT" and resid 145 and name HN ))
3.200 1.300 1.300 peak 95 weight 0.10000E+01 volume 0.13803E-02 ppm1 2.792 ppm2 8.599 CV 1
ASSI { 97}
(( segid "PEPT" and resid 145 and name HG1 ))
(( segid "PEPT" and resid 145 and name HG2 ))
1.900 0.500 0.500 peak 97 weight 0.10000E+01 volume 0.51769E-02 ppm1 2.458 ppm2 2.795 CV 1
ASSI { 99}
(( segid "PEPT" and resid 150 and name HB1 ))
(( segid "PEPT" and resid 150 and name HN ))
3.000 1.100 1.100 peak 99 weight 0.10000E+01 volume 0.15727E-02 ppm1 2.225 ppm2 8.529 CV 1
ASSI { 100}
(( segid "PEPT" and resid 150 and name HB1 ))
(( segid "PEPT" and resid 150 and name HB2 ))
1.600 0.300 0.600 peak 100 weight 0.10000E+01 volume 0.14234E-01 ppm1 2.229 ppm2 1.715 CV 1
ASSI { 106}
(( segid "PEPT" and resid 148 and name HB2 ))
(( segid "PEPT" and resid 148 and name HN ))
3.200 1.300 1.300 peak 106 weight 0.10000E+01 volume 0.26900E-02 ppm1 1.841 ppm2 8.511 CV 1
ASSI { 107}
(( segid "PEPT" and resid 148 and name HB2 ))
(( segid "PEPT" and resid 147 and name HA ))
6.000 4.500 0.000 peak 107 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.836 ppm2 4.604 CV 1
ASSI { 109}
(( segid "PEPT" and resid 148 and name HB1 ))
(( segid "PEPT" and resid 148 and name HD1 ))
3.200 1.300 1.300 peak 109 weight 0.10000E+01 volume 0.22766E-02 ppm1 1.767 ppm2 3.066 CV 1
OR { 109}
(( segid "PEPT" and resid 148 and name HB1 ))
(( segid "PEPT" and resid 148 and name HD2 ))
ASSI { 110}
(( segid "PEPT" and resid 150 and name HB2 ))
(( segid "PEPT" and resid 150 and name HA ))
2.600 0.900 0.900 peak 110 weight 0.10000E+01 volume 0.28629E-02 ppm1 1.721 ppm2 4.472 CV 1
ASSI { 113}
(( segid "PEPT" and resid 117 and name HB1 ))
(( segid "PEPT" and resid 117 and name HN ))
3.600 1.600 1.600 peak 113 weight 0.10000E+01 volume 0.11804E-02 ppm1 1.339 ppm2 8.321 CV 1
ASSI { 116}
(( segid "PEPT" and resid 145 and name HG2 ))
(( segid "PEPT" and resid 145 and name HB2 ))
2.500 0.800 0.800 peak 116 weight 0.10000E+01 volume 0.60891E-02 ppm1 2.795 ppm2 2.030 CV 1
ASSI { 122}
(( segid "PEPT" and resid 150 and name HB2 ))
(( segid "PEPT" and resid 149 and name HA ))
5.100 3.300 0.900 peak 122 weight 0.10000E+01 volume 0.62202E-03 ppm1 1.716 ppm2 4.663 CV 1
ASSI { 126}
(( segid "PEPT" and resid 117 and name HB1 ))
(( segid "PEPT" and resid 117 and name HG2 ))
2.700 0.900 0.900 peak 126 weight 0.10000E+01 volume 0.19074E-02 ppm1 1.398 ppm2 1.582 CV 1
OR { 126}
(( segid "PEPT" and resid 117 and name HB1 ))
(( segid "PEPT" and resid 117 and name HG1 ))
ASSI { 134}
(( segid "PEPT" and resid 151 and name HB1 ))
(( segid "PEPT" and resid 151 and name HA ))
2.300 0.700 0.700 peak 134 weight 0.10000E+01 volume 0.76405E-02 ppm1 2.070 ppm2 4.266 CV 1
OR { 134}
(( segid "PEPT" and resid 151 and name HB2 ))
(( segid "PEPT" and resid 151 and name HA ))
ASSI { 136}
(( segid "PEPT" and resid 6 and name HB2 ))
(( segid "PEPT" and resid 6 and name HD2 ))
2.800 1.000 1.000 peak 136 weight 0.10000E+01 volume 0.32015E-02 ppm1 1.831 ppm2 3.170 CV 1
OR { 136}
(( segid "PEPT" and resid 6 and name HB1 ))
(( segid "PEPT" and resid 6 and name HD1 ))
OR { 136}
(( segid "PEPT" and resid 6 and name HB2 ))
(( segid "PEPT" and resid 6 and name HD1 ))
OR { 136}
(( segid "PEPT" and resid 6 and name HB1 ))
(( segid "PEPT" and resid 6 and name HD2 ))
ASSI { 138}
(( segid "PEPT" and resid 6 and name HB1 ))
(( segid "PEPT" and resid 6 and name HA ))
2.500 0.800 0.800 peak 138 weight 0.10000E+01 volume 0.50993E-02 ppm1 1.828 ppm2 4.097 CV 1
OR { 138}
(( segid "PEPT" and resid 6 and name HB2 ))
(( segid "PEPT" and resid 6 and name HA ))
ASSI { 140}
(( segid "PEPT" and resid 87 and name HB ))
( segid "PEPT" and resid 87 and name HG1%)
2.500 0.800 0.800 peak 140 weight 0.10000E+01 volume 0.37178E-02 ppm1 2.293 ppm2 0.647 CV 1
ASSI { 144}
(( segid "PEPT" and resid 62 and name HB2 ))
(( segid "PEPT" and resid 62 and name HA ))
3.000 1.100 1.100 peak 144 weight 0.10000E+01 volume 0.20783E-02 ppm1 3.246 ppm2 4.857 CV 1
OR { 144}
(( segid "PEPT" and resid 62 and name HB1 ))
(( segid "PEPT" and resid 62 and name HA ))
ASSI { 147}
(( segid "PEPT" and resid 62 and name HB1 ))
(( segid "PEPT" and resid 63 and name HN ))
3.800 1.800 1.800 peak 147 weight 0.10000E+01 volume 0.13499E-02 ppm1 3.249 ppm2 8.339 CV 1
OR { 147}
(( segid "PEPT" and resid 62 and name HB2 ))
(( segid "PEPT" and resid 63 and name HN ))
ASSI { 151}
(( segid "PEPT" and resid 156 and name HB1 ))
(( segid "PEPT" and resid 157 and name HN ))
3.900 1.900 1.900 peak 151 weight 0.10000E+01 volume 0.12201E-02 ppm1 2.020 ppm2 7.587 CV 1
ASSI { 152}
(( segid "PEPT" and resid 156 and name HB2 ))
(( segid "PEPT" and resid 156 and name HN ))
2.900 1.100 1.100 peak 152 weight 0.10000E+01 volume 0.25717E-02 ppm1 1.824 ppm2 8.417 CV 1
ASSI { 153}
(( segid "PEPT" and resid 156 and name HB2 ))
(( segid "PEPT" and resid 156 and name HA ))
3.100 1.200 1.200 peak 153 weight 0.10000E+01 volume 0.25047E-02 ppm1 1.826 ppm2 4.196 CV 1
ASSI { 157}
(( segid "PEPT" and resid 156 and name HB1 ))
(( segid "PEPT" and resid 156 and name HA ))
2.600 0.900 0.900 peak 157 weight 0.10000E+01 volume 0.25920E-02 ppm1 2.022 ppm2 4.195 CV 1
ASSI { 158}
(( segid "PEPT" and resid 156 and name HB2 ))
(( segid "PEPT" and resid 157 and name HN ))
4.400 2.400 1.600 peak 158 weight 0.10000E+01 volume 0.46589E-03 ppm1 1.826 ppm2 7.578 CV 1
ASSI { 160}
(( segid "PEPT" and resid 8 and name HB2 ))
(( segid "PEPT" and resid 8 and name HN ))
3.700 1.800 1.800 peak 160 weight 0.10000E+01 volume 0.20558E-02 ppm1 2.313 ppm2 7.992 CV 1
ASSI { 161}
(( segid "PEPT" and resid 8 and name HB2 ))
(( segid "PEPT" and resid 8 and name HA ))
2.700 0.900 0.900 peak 161 weight 0.10000E+01 volume 0.34038E-02 ppm1 2.311 ppm2 4.330 CV 1
ASSI { 162}
(( segid "PEPT" and resid 8 and name HB1 ))
(( segid "PEPT" and resid 8 and name HN ))
3.000 1.100 1.100 peak 162 weight 0.10000E+01 volume 0.23384E-02 ppm1 2.146 ppm2 7.962 CV 1
ASSI { 167}
(( segid "PEPT" and resid 8 and name HB2 ))
(( segid "PEPT" and resid 9 and name HN ))
3.800 1.800 1.800 peak 167 weight 0.10000E+01 volume 0.94804E-03 ppm1 2.307 ppm2 7.461 CV 1
ASSI { 169}
(( segid "PEPT" and resid 8 and name HB1 ))
(( segid "PEPT" and resid 8 and name HA ))
2.700 0.900 0.900 peak 169 weight 0.10000E+01 volume 0.26201E-02 ppm1 2.153 ppm2 4.334 CV 1
ASSI { 173}
(( segid "PEPT" and resid 130 and name HB2 ))
( segid "PEPT" and resid 129 and name HE% )
4.500 2.500 3.500 peak 173 weight 0.10000E+01 volume 0.11281E-02 ppm1 1.979 ppm2 6.646 CV 1
ASSI { 174}
(( segid "PEPT" and resid 80 and name HB2 ))
(( segid "PEPT" and resid 81 and name HA ))
3.700 1.700 1.700 peak 174 weight 0.10000E+01 volume 0.20463E-02 ppm1 1.956 ppm2 4.378 CV 1
ASSI { 187}
(( segid "PEPT" and resid 80 and name HB2 ))
(( segid "PEPT" and resid 82 and name HN ))
3.500 1.500 1.500 peak 187 weight 0.10000E+01 volume 0.16830E-02 ppm1 1.933 ppm2 7.846 CV 1
ASSI { 189}
(( segid "PEPT" and resid 130 and name HB1 ))
(( segid "PEPT" and resid 130 and name HA ))
3.300 1.400 1.400 peak 189 weight 0.10000E+01 volume 0.12710E-02 ppm1 1.809 ppm2 3.556 CV 1
ASSI { 190}
(( segid "PEPT" and resid 130 and name HB1 ))
(( segid "PEPT" and resid 129 and name HB2 ))
2.300 2.300 3.700 peak 190 weight 0.10000E+01 volume 0.16403E-02 ppm1 1.793 ppm2 3.264 CV 1
ASSI { 208}
(( segid "PEPT" and resid 79 and name HB1 ))
(( segid "PEPT" and resid 79 and name HN ))
2.900 1.100 1.100 peak 208 weight 0.10000E+01 volume 0.23742E-02 ppm1 2.154 ppm2 8.683 CV 1
OR { 208}
(( segid "PEPT" and resid 79 and name HB2 ))
(( segid "PEPT" and resid 79 and name HN ))
ASSI { 209}
(( segid "PEPT" and resid 79 and name HB2 ))
( segid "PEPT" and resid 77 and name HE% )
3.300 1.300 1.300 peak 209 weight 0.10000E+01 volume 0.15176E-02 ppm1 2.154 ppm2 6.719 CV 1
OR { 209}
(( segid "PEPT" and resid 79 and name HB1 ))
( segid "PEPT" and resid 77 and name HE% )
ASSI { 210}
(( segid "PEPT" and resid 80 and name HB1 ))
(( segid "PEPT" and resid 79 and name HN ))
3.200 3.200 2.800 peak 210 weight 0.10000E+01 volume 0.44160E-02 ppm1 2.020 ppm2 8.692 CV 1
ASSI { 214}
(( segid "PEPT" and resid 80 and name HB1 ))
(( segid "PEPT" and resid 80 and name HA ))
1.900 0.400 1.400 peak 214 weight 0.10000E+01 volume 0.38462E-01 ppm1 2.028 ppm2 4.004 CV 1
ASSI { 217}
(( segid "PEPT" and resid 130 and name HB2 ))
(( segid "PEPT" and resid 130 and name HA ))
2.500 0.800 0.800 peak 217 weight 0.10000E+01 volume 0.21788E-02 ppm1 1.973 ppm2 3.556 CV 1
ASSI { 218}
(( segid "PEPT" and resid 130 and name HB2 ))
(( segid "PEPT" and resid 130 and name HG1 ))
2.300 0.700 0.700 peak 218 weight 0.10000E+01 volume 0.67692E-02 ppm1 1.982 ppm2 1.532 CV 1
OR { 218}
(( segid "PEPT" and resid 130 and name HB2 ))
(( segid "PEPT" and resid 130 and name HG2 ))
ASSI { 226}
(( segid "PEPT" and resid 67 and name HD2 ))
(( segid "PEPT" and resid 67 and name HA ))
3.800 1.800 1.800 peak 226 weight 0.10000E+01 volume 0.18455E-02 ppm1 1.802 ppm2 5.504 CV 1
OR { 226}
(( segid "PEPT" and resid 67 and name HD1 ))
(( segid "PEPT" and resid 67 and name HA ))
ASSI { 231}
(( segid "PEPT" and resid 128 and name HG12))
(( segid "PEPT" and resid 129 and name HN ))
4.400 2.400 1.600 peak 231 weight 0.10000E+01 volume 0.10561E-02 ppm1 1.589 ppm2 8.240 CV 1
ASSI { 232}
(( segid "PEPT" and resid 128 and name HG12))
(( segid "PEPT" and resid 128 and name HN ))
3.400 1.500 1.500 peak 232 weight 0.10000E+01 volume 0.25373E-02 ppm1 1.598 ppm2 7.621 CV 1
ASSI { 234}
(( segid "PEPT" and resid 128 and name HG12))
(( segid "PEPT" and resid 128 and name HA ))
2.500 0.800 0.800 peak 234 weight 0.10000E+01 volume 0.20591E-02 ppm1 1.594 ppm2 3.732 CV 1
ASSI { 235}
(( segid "PEPT" and resid 128 and name HG12))
(( segid "PEPT" and resid 131 and name HE1 ))
2.200 2.200 3.800 peak 235 weight 0.10000E+01 volume 0.66659E-02 ppm1 1.569 ppm2 2.886 CV 1
OR { 235}
(( segid "PEPT" and resid 128 and name HG12))
(( segid "PEPT" and resid 131 and name HE2 ))
ASSI { 236}
(( segid "PEPT" and resid 128 and name HG12))
( segid "PEPT" and resid 128 and name HD1%)
1.900 0.500 0.500 peak 236 weight 0.10000E+01 volume 0.10745E-01 ppm1 1.589 ppm2 0.701 CV 1
ASSI { 243}
(( segid "PEPT" and resid 128 and name HG11))
(( segid "PEPT" and resid 128 and name HN ))
2.500 0.800 0.800 peak 243 weight 0.10000E+01 volume 0.10385E-02 ppm1 1.086 ppm2 7.633 CV 1
ASSI { 245}
(( segid "PEPT" and resid 128 and name HG11))
(( segid "PEPT" and resid 128 and name HG12))
1.500 0.300 0.700 peak 245 weight 0.10000E+01 volume 0.76624E-02 ppm1 1.085 ppm2 1.595 CV 1
ASSI { 246}
(( segid "PEPT" and resid 128 and name HG11))
( segid "PEPT" and resid 128 and name HD1%)
2.200 0.600 0.600 peak 246 weight 0.10000E+01 volume 0.41900E-02 ppm1 1.091 ppm2 0.676 CV 1
ASSI { 256}
(( segid "PEPT" and resid 79 and name HB1 ))
(( segid "PEPT" and resid 80 and name HA ))
3.200 1.300 1.300 peak 256 weight 0.10000E+01 volume 0.75421E-02 ppm1 2.106 ppm2 4.010 CV 1
OR { 256}
(( segid "PEPT" and resid 79 and name HB2 ))
(( segid "PEPT" and resid 80 and name HA ))
ASSI { 259}
(( segid "PEPT" and resid 145 and name HB2 ))
(( segid "PEPT" and resid 146 and name HN ))
3.500 1.500 1.500 peak 259 weight 0.10000E+01 volume 0.14477E-02 ppm1 2.004 ppm2 7.935 CV 1
ASSI { 260}
(( segid "PEPT" and resid 135 and name HB2 ))
(( segid "PEPT" and resid 136 and name HN ))
3.200 1.300 1.300 peak 260 weight 0.10000E+01 volume 0.25772E-02 ppm1 2.013 ppm2 7.086 CV 1
OR { 260}
(( segid "PEPT" and resid 135 and name HB1 ))
(( segid "PEPT" and resid 136 and name HN ))
ASSI { 262}
(( segid "PEPT" and resid 80 and name HB2 ))
(( segid "PEPT" and resid 80 and name HN ))
2.800 1.000 1.000 peak 262 weight 0.10000E+01 volume 0.56166E-02 ppm1 1.951 ppm2 8.509 CV 1
ASSI { 265}
(( segid "PEPT" and resid 67 and name HD2 ))
(( segid "PEPT" and resid 67 and name HE1 ))
2.400 0.700 0.700 peak 265 weight 0.10000E+01 volume 0.53606E-02 ppm1 1.805 ppm2 3.068 CV 1
OR { 265}
(( segid "PEPT" and resid 67 and name HD2 ))
(( segid "PEPT" and resid 67 and name HE2 ))
OR { 265}
(( segid "PEPT" and resid 67 and name HD1 ))
(( segid "PEPT" and resid 67 and name HE1 ))
OR { 265}
(( segid "PEPT" and resid 67 and name HD1 ))
(( segid "PEPT" and resid 67 and name HE2 ))
ASSI { 270}
(( segid "PEPT" and resid 48 and name HD1 ))
(( segid "PEPT" and resid 66 and name HA ))
3.700 3.700 2.300 peak 270 weight 0.10000E+01 volume 0.15594E-02 ppm1 1.491 ppm2 4.757 CV 1
OR { 270}
(( segid "PEPT" and resid 48 and name HD2 ))
(( segid "PEPT" and resid 66 and name HA ))
ASSI { 271}
(( segid "PEPT" and resid 48 and name HD2 ))
(( segid "PEPT" and resid 48 and name HA ))
3.800 1.800 1.800 peak 271 weight 0.10000E+01 volume 0.13727E-02 ppm1 1.472 ppm2 4.944 CV 1
OR { 271}
(( segid "PEPT" and resid 48 and name HD1 ))
(( segid "PEPT" and resid 48 and name HA ))
ASSI { 277}
(( segid "PEPT" and resid 141 and name HB2 ))
(( segid "PEPT" and resid 142 and name HA ))
5.100 3.300 0.900 peak 277 weight 0.10000E+01 volume 0.36790E-03 ppm1 2.117 ppm2 4.464 CV 1
ASSI { 279}
(( segid "PEPT" and resid 141 and name HB2 ))
(( segid "PEPT" and resid 141 and name HA ))
2.800 1.000 1.000 peak 279 weight 0.10000E+01 volume 0.26249E-02 ppm1 2.116 ppm2 4.265 CV 1
ASSI { 281}
(( segid "PEPT" and resid 141 and name HB1 ))
(( segid "PEPT" and resid 143 and name HA ))
3.400 3.400 2.600 peak 281 weight 0.10000E+01 volume 0.16761E-02 ppm1 2.090 ppm2 4.754 CV 1
OR { 281}
(( segid "PEPT" and resid 141 and name HB2 ))
(( segid "PEPT" and resid 143 and name HA ))
ASSI { 282}
(( segid "PEPT" and resid 145 and name HB1 ))
(( segid "PEPT" and resid 145 and name HG2 ))
3.000 1.100 1.100 peak 282 weight 0.10000E+01 volume 0.25741E-02 ppm1 2.067 ppm2 2.792 CV 1
ASSI { 283}
(( segid "PEPT" and resid 141 and name HB1 ))
(( segid "PEPT" and resid 141 and name HA ))
2.800 1.000 1.000 peak 283 weight 0.10000E+01 volume 0.36536E-02 ppm1 2.017 ppm2 4.258 CV 1
ASSI { 285}
(( segid "PEPT" and resid 120 and name HB1 ))
(( segid "PEPT" and resid 122 and name HA ))
2.900 2.900 3.100 peak 285 weight 0.10000E+01 volume 0.23949E-02 ppm1 1.801 ppm2 4.755 CV 1
OR { 285}
(( segid "PEPT" and resid 120 and name HB2 ))
(( segid "PEPT" and resid 122 and name HA ))
ASSI { 286}
(( segid "PEPT" and resid 120 and name HB1 ))
(( segid "PEPT" and resid 94 and name HB2 ))
2.200 2.200 3.800 peak 286 weight 0.10000E+01 volume 0.19965E-02 ppm1 1.807 ppm2 3.908 CV 1
OR { 286}
(( segid "PEPT" and resid 120 and name HB2 ))
(( segid "PEPT" and resid 94 and name HB2 ))
ASSI { 288}
(( segid "PEPT" and resid 93 and name HD1 ))
(( segid "PEPT" and resid 93 and name HN ))
3.800 1.800 1.800 peak 288 weight 0.10000E+01 volume 0.77794E-03 ppm1 1.712 ppm2 8.047 CV 1
OR { 288}
(( segid "PEPT" and resid 93 and name HD2 ))
(( segid "PEPT" and resid 93 and name HN ))
ASSI { 289}
(( segid "PEPT" and resid 93 and name HD2 ))
(( segid "PEPT" and resid 93 and name HG1 ))
1.800 0.400 0.400 peak 289 weight 0.10000E+01 volume 0.27714E-01 ppm1 1.709 ppm2 1.413 CV 1
OR { 289}
(( segid "PEPT" and resid 93 and name HD1 ))
(( segid "PEPT" and resid 93 and name HG2 ))
OR { 289}
(( segid "PEPT" and resid 93 and name HD1 ))
(( segid "PEPT" and resid 93 and name HG1 ))
OR { 289}
(( segid "PEPT" and resid 93 and name HD2 ))
(( segid "PEPT" and resid 93 and name HG2 ))
ASSI { 294}
(( segid "PEPT" and resid 48 and name HD2 ))
(( segid "PEPT" and resid 48 and name HE1 ))
2.600 0.900 0.900 peak 294 weight 0.10000E+01 volume 0.29028E-02 ppm1 1.488 ppm2 2.696 CV 1
OR { 294}
(( segid "PEPT" and resid 48 and name HD1 ))
(( segid "PEPT" and resid 48 and name HE2 ))
OR { 294}
(( segid "PEPT" and resid 48 and name HD1 ))
(( segid "PEPT" and resid 48 and name HE1 ))
OR { 294}
(( segid "PEPT" and resid 48 and name HD2 ))
(( segid "PEPT" and resid 48 and name HE2 ))
ASSI { 295}
(( segid "PEPT" and resid 48 and name HD1 ))
( segid "PEPT" and resid 65 and name HG2%)
2.100 0.500 0.500 peak 295 weight 0.10000E+01 volume 0.11983E-01 ppm1 1.488 ppm2 1.168 CV 1
OR { 295}
(( segid "PEPT" and resid 48 and name HD2 ))
( segid "PEPT" and resid 65 and name HG2%)
ASSI { 301}
(( segid "PEPT" and resid 104 and name HD1 ))
(( segid "PEPT" and resid 104 and name HE2 ))
2.800 1.000 1.000 peak 301 weight 0.10000E+01 volume 0.23501E-02 ppm1 1.311 ppm2 2.707 CV 1
OR { 301}
(( segid "PEPT" and resid 104 and name HD2 ))
(( segid "PEPT" and resid 104 and name HE1 ))
OR { 301}
(( segid "PEPT" and resid 104 and name HD2 ))
(( segid "PEPT" and resid 104 and name HE2 ))
OR { 301}
(( segid "PEPT" and resid 104 and name HD1 ))
(( segid "PEPT" and resid 104 and name HE1 ))
ASSI { 302}
(( segid "PEPT" and resid 104 and name HD1 ))
(( segid "PEPT" and resid 103 and name HA ))
2.500 2.500 3.500 peak 302 weight 0.10000E+01 volume 0.10330E-02 ppm1 1.297 ppm2 4.753 CV 1
OR { 302}
(( segid "PEPT" and resid 104 and name HD2 ))
(( segid "PEPT" and resid 103 and name HA ))
ASSI { 305}
(( segid "PEPT" and resid 141 and name HB2 ))
(( segid "PEPT" and resid 139 and name HB ))
2.200 2.200 3.800 peak 305 weight 0.10000E+01 volume 0.20566E-02 ppm1 2.091 ppm2 4.679 CV 1
OR { 305}
(( segid "PEPT" and resid 141 and name HB1 ))
(( segid "PEPT" and resid 139 and name HB ))
ASSI { 309}
(( segid "PEPT" and resid 120 and name HB1 ))
(( segid "PEPT" and resid 120 and name HN ))
2.700 0.900 0.900 peak 309 weight 0.10000E+01 volume 0.29447E-02 ppm1 1.833 ppm2 7.380 CV 1
ASSI { 310}
(( segid "PEPT" and resid 120 and name HB1 ))
(( segid "PEPT" and resid 120 and name HA ))
2.700 0.900 0.900 peak 310 weight 0.10000E+01 volume 0.43673E-02 ppm1 1.835 ppm2 4.243 CV 1
ASSI { 312}
(( segid "PEPT" and resid 120 and name HB1 ))
(( segid "PEPT" and resid 120 and name HG2 ))
2.200 0.600 0.600 peak 312 weight 0.10000E+01 volume 0.14825E-01 ppm1 1.835 ppm2 2.073 CV 1
OR { 312}
(( segid "PEPT" and resid 120 and name HB1 ))
(( segid "PEPT" and resid 120 and name HG1 ))
ASSI { 313}
(( segid "PEPT" and resid 120 and name HB1 ))
(( segid "PEPT" and resid 121 and name HN ))
4.200 2.200 1.800 peak 313 weight 0.10000E+01 volume 0.21131E-02 ppm1 1.823 ppm2 7.898 CV 1
ASSI { 315}
(( segid "PEPT" and resid 120 and name HB2 ))
(( segid "PEPT" and resid 120 and name HG1 ))
2.300 0.700 0.700 peak 315 weight 0.10000E+01 volume 0.92678E-02 ppm1 1.774 ppm2 2.047 CV 1
OR { 315}
(( segid "PEPT" and resid 120 and name HB2 ))
(( segid "PEPT" and resid 120 and name HG2 ))
ASSI { 316}
(( segid "PEPT" and resid 120 and name HB2 ))
(( segid "PEPT" and resid 121 and name HN ))
4.400 2.400 1.600 peak 316 weight 0.10000E+01 volume 0.54061E-03 ppm1 1.761 ppm2 7.870 CV 1
ASSI { 317}
(( segid "PEPT" and resid 120 and name HB2 ))
(( segid "PEPT" and resid 120 and name HA ))
2.700 0.900 0.900 peak 317 weight 0.10000E+01 volume 0.38257E-02 ppm1 1.766 ppm2 4.257 CV 1
ASSI { 331}
(( segid "PEPT" and resid 136 and name HB2 ))
(( segid "PEPT" and resid 136 and name HA ))
3.400 1.400 1.400 peak 331 weight 0.10000E+01 volume 0.10360E-02 ppm1 1.352 ppm2 4.106 CV 1
OR { 331}
(( segid "PEPT" and resid 136 and name HB1 ))
(( segid "PEPT" and resid 136 and name HA ))
ASSI { 347}
(( segid "PEPT" and resid 113 and name HG2 ))
(( segid "PEPT" and resid 113 and name HD2 ))
2.600 0.800 0.800 peak 347 weight 0.10000E+01 volume 0.26395E-02 ppm1 1.272 ppm2 3.080 CV 1
OR { 347}
(( segid "PEPT" and resid 113 and name HG1 ))
(( segid "PEPT" and resid 113 and name HD1 ))
OR { 347}
(( segid "PEPT" and resid 113 and name HG2 ))
(( segid "PEPT" and resid 113 and name HD1 ))
OR { 347}
(( segid "PEPT" and resid 113 and name HG1 ))
(( segid "PEPT" and resid 113 and name HD2 ))
ASSI { 348}
(( segid "PEPT" and resid 113 and name HG1 ))
( segid "PEPT" and resid 16 and name HG1%)
3.400 3.400 2.600 peak 348 weight 0.10000E+01 volume 0.32745E-02 ppm1 1.277 ppm2 0.687 CV 1
OR { 348}
(( segid "PEPT" and resid 113 and name HG2 ))
( segid "PEPT" and resid 16 and name HG1%)
ASSI { 361}
(( segid "PEPT" and resid 113 and name HG1 ))
(( segid "PEPT" and resid 15 and name HN ))
3.600 3.600 2.400 peak 361 weight 0.10000E+01 volume 0.20558E-02 ppm1 1.284 ppm2 8.938 CV 1
OR { 361}
(( segid "PEPT" and resid 113 and name HG2 ))
(( segid "PEPT" and resid 15 and name HN ))
ASSI { 364}
(( segid "PEPT" and resid 123 and name HG1 ))
(( segid "PEPT" and resid 122 and name HA ))
5.100 3.300 0.900 peak 364 weight 0.10000E+01 volume 0.83845E-03 ppm1 2.061 ppm2 4.762 CV 1
ASSI { 365}
(( segid "PEPT" and resid 123 and name HG1 ))
(( segid "PEPT" and resid 122 and name HB1 ))
3.900 1.900 1.900 peak 365 weight 0.10000E+01 volume 0.54276E-02 ppm1 2.061 ppm2 3.969 CV 1
ASSI { 369}
(( segid "PEPT" and resid 147 and name HG1 ))
(( segid "PEPT" and resid 147 and name HD1 ))
2.100 0.500 0.500 peak 369 weight 0.10000E+01 volume 0.11744E-01 ppm1 2.135 ppm2 4.076 CV 1
OR { 369}
(( segid "PEPT" and resid 147 and name HG2 ))
(( segid "PEPT" and resid 147 and name HD2 ))
OR { 369}
(( segid "PEPT" and resid 147 and name HG2 ))
(( segid "PEPT" and resid 147 and name HD1 ))
OR { 369}
(( segid "PEPT" and resid 147 and name HG1 ))
(( segid "PEPT" and resid 147 and name HD2 ))
ASSI { 373}
(( segid "PEPT" and resid 147 and name HG1 ))
( segid "PEPT" and resid 15 and name HG2%)
2.500 2.500 3.500 peak 373 weight 0.10000E+01 volume 0.97727E-03 ppm1 2.135 ppm2 0.545 CV 1
OR { 373}
(( segid "PEPT" and resid 147 and name HG1 ))
( segid "PEPT" and resid 15 and name HG1%)
OR { 373}
(( segid "PEPT" and resid 147 and name HG2 ))
( segid "PEPT" and resid 15 and name HG1%)
OR { 373}
(( segid "PEPT" and resid 147 and name HG2 ))
( segid "PEPT" and resid 15 and name HG2%)
ASSI { 375}
(( segid "PEPT" and resid 6 and name HG2 ))
(( segid "PEPT" and resid 6 and name HD1 ))
2.300 0.700 0.700 peak 375 weight 0.10000E+01 volume 0.61659E-02 ppm1 1.695 ppm2 3.172 CV 1
OR { 375}
(( segid "PEPT" and resid 6 and name HG2 ))
(( segid "PEPT" and resid 6 and name HD2 ))
ASSI { 382}
(( segid "PEPT" and resid 9 and name HG12))
(( segid "PEPT" and resid 9 and name HN ))
2.700 0.900 0.900 peak 382 weight 0.10000E+01 volume 0.24109E-02 ppm1 1.708 ppm2 7.449 CV 1
ASSI { 383}
(( segid "PEPT" and resid 9 and name HG12))
(( segid "PEPT" and resid 9 and name HG11))
1.700 0.400 0.500 peak 383 weight 0.10000E+01 volume 0.56934E-02 ppm1 1.689 ppm2 1.362 CV 1
ASSI { 384}
(( segid "PEPT" and resid 9 and name HG12))
( segid "PEPT" and resid 9 and name HG2%)
3.500 1.500 1.500 peak 384 weight 0.10000E+01 volume 0.22229E-02 ppm1 1.699 ppm2 1.083 CV 1
ASSI { 385}
(( segid "PEPT" and resid 9 and name HG12))
( segid "PEPT" and resid 9 and name HD1%)
2.300 0.600 0.600 peak 385 weight 0.10000E+01 volume 0.55129E-02 ppm1 1.698 ppm2 0.832 CV 1
ASSI { 387}
(( segid "PEPT" and resid 6 and name HG1 ))
(( segid "PEPT" and resid 6 and name HD2 ))
2.400 0.700 0.700 peak 387 weight 0.10000E+01 volume 0.59106E-02 ppm1 1.578 ppm2 3.162 CV 1
OR { 387}
(( segid "PEPT" and resid 6 and name HG1 ))
(( segid "PEPT" and resid 6 and name HD1 ))
ASSI { 390}
(( segid "PEPT" and resid 9 and name HG11))
(( segid "PEPT" and resid 9 and name HN ))
3.500 1.600 1.600 peak 390 weight 0.10000E+01 volume 0.20718E-02 ppm1 1.368 ppm2 7.458 CV 1
ASSI { 391}
(( segid "PEPT" and resid 9 and name HG11))
(( segid "PEPT" and resid 9 and name HB ))
2.600 0.800 0.800 peak 391 weight 0.10000E+01 volume 0.19437E-02 ppm1 1.365 ppm2 2.128 CV 1
ASSI { 405}
(( segid "PEPT" and resid 4 and name HG1 ))
(( segid "PEPT" and resid 4 and name HD1 ))
2.600 0.800 0.800 peak 405 weight 0.10000E+01 volume 0.52717E-02 ppm1 1.767 ppm2 3.371 CV 1
ASSI { 406}
(( segid "PEPT" and resid 148 and name HG2 ))
(( segid "PEPT" and resid 148 and name HD1 ))
2.600 0.900 0.900 peak 406 weight 0.10000E+01 volume 0.39826E-02 ppm1 1.752 ppm2 3.069 CV 1
OR { 406}
(( segid "PEPT" and resid 148 and name HG2 ))
(( segid "PEPT" and resid 148 and name HD2 ))
ASSI { 407}
(( segid "PEPT" and resid 148 and name HG2 ))
(( segid "PEPT" and resid 148 and name HN ))
3.500 1.500 1.500 peak 407 weight 0.10000E+01 volume 0.17330E-02 ppm1 1.749 ppm2 8.508 CV 1
ASSI { 408}
(( segid "PEPT" and resid 148 and name HG1 ))
(( segid "PEPT" and resid 148 and name HN ))
2.600 0.900 0.900 peak 408 weight 0.10000E+01 volume 0.20430E-02 ppm1 1.589 ppm2 8.534 CV 1
ASSI { 409}
(( segid "PEPT" and resid 107 and name HG2 ))
(( segid "PEPT" and resid 107 and name HA ))
2.700 0.900 0.900 peak 409 weight 0.10000E+01 volume 0.28098E-02 ppm1 1.582 ppm2 4.654 CV 1
ASSI { 423}
(( segid "PEPT" and resid 107 and name HG1 ))
(( segid "PEPT" and resid 107 and name HN ))
3.500 1.600 1.600 peak 423 weight 0.10000E+01 volume 0.11499E-02 ppm1 1.664 ppm2 7.857 CV 1
ASSI { 424}
(( segid "PEPT" and resid 107 and name HG1 ))
(( segid "PEPT" and resid 108 and name HN ))
3.800 1.800 1.800 peak 424 weight 0.10000E+01 volume 0.15170E-02 ppm1 1.651 ppm2 8.630 CV 1
ASSI { 425}
(( segid "PEPT" and resid 107 and name HG1 ))
(( segid "PEPT" and resid 107 and name HA ))
3.000 1.200 1.200 peak 425 weight 0.10000E+01 volume 0.27302E-02 ppm1 1.653 ppm2 4.655 CV 1
ASSI { 426}
(( segid "PEPT" and resid 107 and name HG2 ))
(( segid "PEPT" and resid 107 and name HN ))
3.000 1.100 1.100 peak 426 weight 0.10000E+01 volume 0.21949E-02 ppm1 1.593 ppm2 7.847 CV 1
ASSI { 512}
(( segid "PEPT" and resid 67 and name HG2 ))
(( segid "PEPT" and resid 67 and name HA ))
3.200 1.300 1.300 peak 512 weight 0.10000E+01 volume 0.18143E-02 ppm1 1.635 ppm2 5.502 CV 1
OR { 512}
(( segid "PEPT" and resid 67 and name HG1 ))
(( segid "PEPT" and resid 67 and name HA ))
ASSI { 513}
(( segid "PEPT" and resid 67 and name HG1 ))
(( segid "PEPT" and resid 67 and name HE2 ))
3.100 1.200 1.200 peak 513 weight 0.10000E+01 volume 0.21930E-02 ppm1 1.634 ppm2 3.066 CV 1
OR { 513}
(( segid "PEPT" and resid 67 and name HG1 ))
(( segid "PEPT" and resid 67 and name HE1 ))
OR { 513}
(( segid "PEPT" and resid 67 and name HG2 ))
(( segid "PEPT" and resid 67 and name HE2 ))
OR { 513}
(( segid "PEPT" and resid 67 and name HG2 ))
(( segid "PEPT" and resid 67 and name HE1 ))
ASSI { 514}
(( segid "PEPT" and resid 67 and name HG1 ))
(( segid "PEPT" and resid 46 and name HG1 ))
3.900 1.900 1.900 peak 514 weight 0.10000E+01 volume 0.93862E-03 ppm1 1.636 ppm2 2.411 CV 1
OR { 514}
(( segid "PEPT" and resid 67 and name HG2 ))
(( segid "PEPT" and resid 46 and name HG1 ))
ASSI { 528}
(( segid "PEPT" and resid 93 and name HG2 ))
(( segid "PEPT" and resid 93 and name HN ))
3.200 1.200 1.200 peak 528 weight 0.10000E+01 volume 0.17576E-02 ppm1 1.394 ppm2 8.051 CV 1
ASSI { 536}
(( segid "PEPT" and resid 93 and name HG1 ))
(( segid "PEPT" and resid 93 and name HE1 ))
2.400 0.700 0.700 peak 536 weight 0.10000E+01 volume 0.55066E-02 ppm1 1.445 ppm2 3.004 CV 1
OR { 536}
(( segid "PEPT" and resid 93 and name HG1 ))
(( segid "PEPT" and resid 93 and name HE2 ))
ASSI { 537}
(( segid "PEPT" and resid 131 and name HG1 ))
( segid "PEPT" and resid 133 and name HB% )
5.200 3.300 0.800 peak 537 weight 0.10000E+01 volume 0.33171E-03 ppm1 1.436 ppm2 0.898 CV 1
OR { 537}
(( segid "PEPT" and resid 131 and name HG2 ))
( segid "PEPT" and resid 133 and name HB% )
ASSI { 538}
(( segid "PEPT" and resid 93 and name HG2 ))
(( segid "PEPT" and resid 93 and name HA ))
3.400 1.400 1.400 peak 538 weight 0.10000E+01 volume 0.18426E-02 ppm1 1.374 ppm2 4.700 CV 1
ASSI { 542}
(( segid "PEPT" and resid 104 and name HG1 ))
(( segid "PEPT" and resid 104 and name HN ))
3.600 1.600 1.600 peak 542 weight 0.10000E+01 volume 0.18029E-02 ppm1 1.123 ppm2 8.928 CV 1
OR { 542}
(( segid "PEPT" and resid 104 and name HG2 ))
(( segid "PEPT" and resid 104 and name HN ))
ASSI { 543}
(( segid "PEPT" and resid 104 and name HG1 ))
(( segid "PEPT" and resid 103 and name HA ))
2.800 2.800 3.200 peak 543 weight 0.10000E+01 volume 0.49336E-03 ppm1 1.125 ppm2 4.767 CV 1
OR { 543}
(( segid "PEPT" and resid 104 and name HG2 ))
(( segid "PEPT" and resid 103 and name HA ))
ASSI { 544}
(( segid "PEPT" and resid 104 and name HG2 ))
(( segid "PEPT" and resid 104 and name HE1 ))
3.200 1.300 1.300 peak 544 weight 0.10000E+01 volume 0.18513E-02 ppm1 1.121 ppm2 2.702 CV 1
OR { 544}
(( segid "PEPT" and resid 104 and name HG2 ))
(( segid "PEPT" and resid 104 and name HE2 ))
OR { 544}
(( segid "PEPT" and resid 104 and name HG1 ))
(( segid "PEPT" and resid 104 and name HE2 ))
OR { 544}
(( segid "PEPT" and resid 104 and name HG1 ))
(( segid "PEPT" and resid 104 and name HE1 ))
ASSI { 550}
(( segid "PEPT" and resid 131 and name HG1 ))
(( segid "PEPT" and resid 131 and name HN ))
3.500 1.500 1.500 peak 550 weight 0.10000E+01 volume 0.17910E-02 ppm1 1.451 ppm2 8.021 CV 1
OR { 550}
(( segid "PEPT" and resid 131 and name HG2 ))
(( segid "PEPT" and resid 131 and name HN ))
ASSI { 553}
(( segid "PEPT" and resid 131 and name HG1 ))
(( segid "PEPT" and resid 135 and name HG1 ))
3.000 1.100 1.100 peak 553 weight 0.10000E+01 volume 0.40789E-02 ppm1 1.425 ppm2 2.262 CV 1
OR { 553}
(( segid "PEPT" and resid 131 and name HG2 ))
(( segid "PEPT" and resid 135 and name HG1 ))
ASSI { 573}
( segid "PEPT" and resid 100 and name HB% )
(( segid "PEPT" and resid 99 and name HN ))
3.300 3.300 2.700 peak 573 weight 0.10000E+01 volume 0.47957E-02 ppm1 1.503 ppm2 9.538 CV 1
ASSI { 582}
( segid "PEPT" and resid 17 and name HB% )
( segid "PEPT" and resid 129 and name HD% )
2.600 0.900 2.900 peak 582 weight 0.10000E+01 volume 0.56695E-02 ppm1 1.022 ppm2 6.988 CV 1
ASSI { 587}
( segid "PEPT" and resid 37 and name HB% )
(( segid "PEPT" and resid 13 and name HN ))
3.300 1.400 1.400 peak 587 weight 0.10000E+01 volume 0.98873E-03 ppm1 1.087 ppm2 9.446 CV 1
ASSI { 588}
( segid "PEPT" and resid 37 and name HB% )
(( segid "PEPT" and resid 38 and name HN ))
2.700 0.900 0.900 peak 588 weight 0.10000E+01 volume 0.36082E-02 ppm1 1.081 ppm2 9.217 CV 1
ASSI { 590}
( segid "PEPT" and resid 37 and name HB% )
(( segid "PEPT" and resid 13 and name HE3 ))
3.000 1.100 1.100 peak 590 weight 0.10000E+01 volume 0.17924E-02 ppm1 1.081 ppm2 6.750 CV 1
ASSI { 594}
( segid "PEPT" and resid 37 and name HB% )
(( segid "PEPT" and resid 51 and name HA ))
3.400 1.500 1.500 peak 594 weight 0.10000E+01 volume 0.21702E-02 ppm1 1.086 ppm2 4.825 CV 1
ASSI { 595}
( segid "PEPT" and resid 37 and name HB% )
(( segid "PEPT" and resid 49 and name HB ))
3.800 1.800 1.800 peak 595 weight 0.10000E+01 volume 0.17250E-02 ppm1 1.091 ppm2 1.671 CV 1
ASSI { 599}
( segid "PEPT" and resid 37 and name HB% )
( segid "PEPT" and resid 49 and name HG1%)
2.600 0.900 2.900 peak 599 weight 0.10000E+01 volume 0.76652E-02 ppm1 1.086 ppm2 -0.142 CV 1
ASSI { 600}
( segid "PEPT" and resid 37 and name HB% )
(( segid "PEPT" and resid 52 and name HN ))
4.700 2.700 1.300 peak 600 weight 0.10000E+01 volume 0.13048E-02 ppm1 1.077 ppm2 8.586 CV 1
ASSI { 605}
( segid "PEPT" and resid 96 and name HB% )
(( segid "PEPT" and resid 95 and name HA ))
4.100 2.100 1.900 peak 605 weight 0.10000E+01 volume 0.15350E-02 ppm1 1.011 ppm2 6.140 CV 1
ASSI { 610}
( segid "PEPT" and resid 96 and name HB% )
(( segid "PEPT" and resid 91 and name HN ))
3.000 1.100 1.100 peak 610 weight 0.10000E+01 volume 0.13074E-02 ppm1 0.982 ppm2 6.747 CV 1
ASSI { 611}
( segid "PEPT" and resid 96 and name HB% )
(( segid "PEPT" and resid 116 and name HA ))
2.800 2.800 3.200 peak 611 weight 0.10000E+01 volume 0.37820E-02 ppm1 0.979 ppm2 5.821 CV 1
ASSI { 612}
( segid "PEPT" and resid 96 and name HB% )
(( segid "PEPT" and resid 96 and name HA ))
2.500 0.800 0.800 peak 612 weight 0.10000E+01 volume 0.31509E-02 ppm1 0.982 ppm2 4.604 CV 1
ASSI { 613}
( segid "PEPT" and resid 96 and name HB% )
(( segid "PEPT" and resid 90 and name HB ))
2.800 2.800 3.200 peak 613 weight 0.10000E+01 volume 0.32616E-02 ppm1 0.982 ppm2 3.902 CV 1
ASSI { 619}
( segid "PEPT" and resid 22 and name HG2%)
(( segid "PEPT" and resid 24 and name HN ))
3.600 1.600 2.400 peak 619 weight 0.10000E+01 volume 0.13615E-02 ppm1 1.680 ppm2 8.591 CV 1
ASSI { 620}
( segid "PEPT" and resid 22 and name HG2%)
(( segid "PEPT" and resid 23 and name HN ))
3.600 1.600 1.600 peak 620 weight 0.10000E+01 volume 0.12980E-02 ppm1 1.671 ppm2 8.975 CV 1
ASSI { 624}
( segid "PEPT" and resid 22 and name HG2%)
(( segid "PEPT" and resid 109 and name HA ))
2.400 2.400 3.600 peak 624 weight 0.10000E+01 volume 0.99652E-02 ppm1 1.673 ppm2 4.718 CV 1
ASSI { 625}
( segid "PEPT" and resid 22 and name HG2%)
(( segid "PEPT" and resid 22 and name HA ))
2.900 1.000 1.000 peak 625 weight 0.10000E+01 volume 0.46677E-02 ppm1 1.672 ppm2 4.404 CV 1
ASSI { 627}
( segid "PEPT" and resid 22 and name HG2%)
(( segid "PEPT" and resid 21 and name HB2 ))
4.100 2.100 1.900 peak 627 weight 0.10000E+01 volume 0.13946E-02 ppm1 1.671 ppm2 3.200 CV 1
ASSI { 633}
( segid "PEPT" and resid 37 and name HB% )
(( segid "PEPT" and resid 50 and name HN ))
3.500 1.500 1.500 peak 633 weight 0.10000E+01 volume 0.16642E-02 ppm1 1.099 ppm2 8.332 CV 1
ASSI { 636}
( segid "PEPT" and resid 37 and name HB% )
(( segid "PEPT" and resid 49 and name HA ))
3.600 1.700 1.700 peak 636 weight 0.10000E+01 volume 0.14682E-02 ppm1 1.100 ppm2 4.481 CV 1
ASSI { 640}
( segid "PEPT" and resid 37 and name HB% )
(( segid "PEPT" and resid 48 and name HD1 ))
3.200 3.200 2.800 peak 640 weight 0.10000E+01 volume 0.35986E-02 ppm1 1.105 ppm2 1.462 CV 1
OR { 640}
( segid "PEPT" and resid 37 and name HB% )
(( segid "PEPT" and resid 48 and name HD2 ))
OR { 640}
( segid "PEPT" and resid 37 and name HB% )
(( segid "PEPT" and resid 48 and name HG1 ))
OR { 640}
( segid "PEPT" and resid 37 and name HB% )
(( segid "PEPT" and resid 48 and name HG2 ))
ASSI { 641}
( segid "PEPT" and resid 96 and name HB% )
(( segid "PEPT" and resid 97 and name HN ))
2.900 1.000 1.000 peak 641 weight 0.10000E+01 volume 0.33145E-02 ppm1 0.981 ppm2 9.350 CV 1
ASSI { 643}
( segid "PEPT" and resid 17 and name HB% )
(( segid "PEPT" and resid 18 and name HN ))
3.400 1.400 1.400 peak 643 weight 0.10000E+01 volume 0.14517E-02 ppm1 0.977 ppm2 8.570 CV 1
ASSI { 644}
( segid "PEPT" and resid 17 and name HB% )
(( segid "PEPT" and resid 114 and name HN ))
2.500 0.800 1.800 peak 644 weight 0.10000E+01 volume 0.26134E-02 ppm1 0.983 ppm2 8.047 CV 1
ASSI { 659}
( segid "PEPT" and resid 64 and name HG2%)
(( segid "PEPT" and resid 65 and name HN ))
2.900 1.100 1.100 peak 659 weight 0.10000E+01 volume 0.20221E-02 ppm1 0.602 ppm2 8.443 CV 1
ASSI { 667}
( segid "PEPT" and resid 35 and name HB% )
(( segid "PEPT" and resid 53 and name HA ))
3.100 1.200 1.200 peak 667 weight 0.10000E+01 volume 0.34178E-02 ppm1 1.848 ppm2 4.750 CV 1
ASSI { 687}
( segid "PEPT" and resid 126 and name HG2%)
(( segid "PEPT" and resid 126 and name HN ))
3.400 1.400 1.400 peak 687 weight 0.10000E+01 volume 0.29933E-02 ppm1 1.139 ppm2 7.848 CV 1
ASSI { 689}
( segid "PEPT" and resid 126 and name HG2%)
(( segid "PEPT" and resid 123 and name HA ))
4.600 2.700 1.400 peak 689 weight 0.10000E+01 volume 0.49417E-03 ppm1 1.138 ppm2 4.377 CV 1
ASSI { 691}
( segid "PEPT" and resid 126 and name HG2%)
(( segid "PEPT" and resid 126 and name HB ))
2.300 0.600 0.600 peak 691 weight 0.10000E+01 volume 0.85181E-02 ppm1 1.140 ppm2 3.592 CV 1
ASSI { 697}
( segid "PEPT" and resid 64 and name HG2%)
( segid "PEPT" and resid 51 and name HD% )
2.300 2.300 3.700 peak 697 weight 0.10000E+01 volume 0.19278E-02 ppm1 0.598 ppm2 7.202 CV 1
ASSI { 698}
( segid "PEPT" and resid 64 and name HG2%)
( segid "PEPT" and resid 51 and name HE% )
4.000 2.000 2.000 peak 698 weight 0.10000E+01 volume 0.45408E-03 ppm1 0.602 ppm2 6.835 CV 1
ASSI { 700}
( segid "PEPT" and resid 64 and name HG2%)
(( segid "PEPT" and resid 66 and name HA ))
2.900 1.100 2.100 peak 700 weight 0.10000E+01 volume 0.30535E-02 ppm1 0.599 ppm2 4.762 CV 1
ASSI { 701}
( segid "PEPT" and resid 64 and name HG2%)
(( segid "PEPT" and resid 64 and name HB ))
2.700 0.900 0.900 peak 701 weight 0.10000E+01 volume 0.30226E-02 ppm1 0.598 ppm2 3.865 CV 1
ASSI { 705}
( segid "PEPT" and resid 35 and name HB% )
(( segid "PEPT" and resid 35 and name HN ))
2.800 1.000 1.000 peak 705 weight 0.10000E+01 volume 0.20635E-02 ppm1 1.849 ppm2 7.398 CV 1
ASSI { 711}
( segid "PEPT" and resid 126 and name HG2%)
(( segid "PEPT" and resid 129 and name HN ))
4.900 3.000 1.100 peak 711 weight 0.10000E+01 volume 0.56585E-03 ppm1 1.138 ppm2 8.232 CV 1
???!+1
ASSI { 725}
( segid "PEPT" and resid 121 and name HG2%)
(( segid "PEPT" and resid 122 and name HN ))
3.000 1.100 2.100 peak 725 weight 0.10000E+01 volume 0.44671E-02 ppm1 1.106 ppm2 8.652 CV 1
ASSI { 730}
( segid "PEPT" and resid 121 and name HG2%)
(( segid "PEPT" and resid 16 and name HB ))
2.200 2.200 3.800 peak 730 weight 0.10000E+01 volume 0.23331E-02 ppm1 1.099 ppm2 2.453 CV 1
ASSI { 732}
( segid "PEPT" and resid 121 and name HG2%)
(( segid "PEPT" and resid 121 and name HB ))
2.100 0.600 0.600 peak 732 weight 0.10000E+01 volume 0.12799E-01 ppm1 1.106 ppm2 1.850 CV 1
ASSI { 734}
( segid "PEPT" and resid 16 and name HG2%)
(( segid "PEPT" and resid 116 and name HN ))
3.400 1.400 2.600 peak 734 weight 0.10000E+01 volume 0.11195E-02 ppm1 1.029 ppm2 9.916 CV 1
ASSI { 738}
( segid "PEPT" and resid 16 and name HG2%)
(( segid "PEPT" and resid 17 and name HN ))
4.400 2.400 1.600 peak 738 weight 0.10000E+01 volume 0.10964E-02 ppm1 1.028 ppm2 7.589 CV 1
ASSI { 739}
( segid "PEPT" and resid 16 and name HG2%)
( segid "PEPT" and resid 14 and name HD% )
3.300 1.400 3.400 peak 739 weight 0.10000E+01 volume 0.23584E-02 ppm1 1.029 ppm2 7.004 CV 1
ASSI { 743}
( segid "PEPT" and resid 16 and name HG2%)
(( segid "PEPT" and resid 16 and name HA ))
2.800 1.000 1.000 peak 743 weight 0.10000E+01 volume 0.33981E-02 ppm1 1.027 ppm2 4.636 CV 1
ASSI { 745}
( segid "PEPT" and resid 16 and name HG2%)
(( segid "PEPT" and resid 116 and name HB1 ))
3.300 1.300 2.700 peak 745 weight 0.10000E+01 volume 0.45810E-02 ppm1 1.029 ppm2 3.691 CV 1
ASSI { 747}
( segid "PEPT" and resid 16 and name HG2%)
(( segid "PEPT" and resid 16 and name HB ))
2.400 0.700 0.700 peak 747 weight 0.10000E+01 volume 0.52583E-02 ppm1 1.027 ppm2 2.447 CV 1
ASSI { 750}
( segid "PEPT" and resid 75 and name HG1%)
(( segid "PEPT" and resid 77 and name HN ))
3.900 1.900 2.100 peak 750 weight 0.10000E+01 volume 0.10377E-02 ppm1 0.946 ppm2 9.449 CV 1
ASSI { 752}
( segid "PEPT" and resid 75 and name HG1%)
( segid "PEPT" and resid 76 and name HD% )
4.200 2.200 1.800 peak 752 weight 0.10000E+01 volume 0.82597E-03 ppm1 0.944 ppm2 6.658 CV 1
OR { 752}
( segid "PEPT" and resid 75 and name HG1%)
( segid "PEPT" and resid 76 and name HE% )
ASSI { 756}
( segid "PEPT" and resid 75 and name HG1%)
(( segid "PEPT" and resid 75 and name HB ))
2.200 0.600 0.600 peak 756 weight 0.10000E+01 volume 0.86190E-02 ppm1 0.947 ppm2 2.067 CV 1
ASSI { 763}
( segid "PEPT" and resid 139 and name HG2%)
(( segid "PEPT" and resid 142 and name HN ))
3.600 3.600 2.400 peak 763 weight 0.10000E+01 volume 0.12457E-02 ppm1 1.242 ppm2 7.954 CV 1
ASSI { 765}
( segid "PEPT" and resid 75 and name HG1%)
(( segid "PEPT" and resid 76 and name HN ))
3.100 1.200 1.200 peak 765 weight 0.10000E+01 volume 0.17093E-02 ppm1 0.947 ppm2 9.234 CV 1
ASSI { 766}
( segid "PEPT" and resid 75 and name HG1%)
(( segid "PEPT" and resid 75 and name HN ))
4.200 2.200 1.800 peak 766 weight 0.10000E+01 volume 0.12988E-02 ppm1 0.946 ppm2 7.878 CV 1
ASSI { 767}
( segid "PEPT" and resid 75 and name HG1%)
(( segid "PEPT" and resid 75 and name HA ))
2.900 1.000 1.000 peak 767 weight 0.10000E+01 volume 0.23866E-02 ppm1 0.946 ppm2 4.968 CV 1
ASSI { 769}
( segid "PEPT" and resid 108 and name HG2%)
(( segid "PEPT" and resid 109 and name HN ))
3.100 1.200 1.200 peak 769 weight 0.10000E+01 volume 0.23970E-02 ppm1 0.857 ppm2 9.214 CV 1
ASSI { 773}
( segid "PEPT" and resid 19 and name HB% )
(( segid "PEPT" and resid 112 and name HN ))
3.200 1.300 1.300 peak 773 weight 0.10000E+01 volume 0.11079E-02 ppm1 0.774 ppm2 9.162 CV 1
ASSI { 781}
( segid "PEPT" and resid 139 and name HG2%)
(( segid "PEPT" and resid 139 and name HN ))
2.600 0.800 0.800 peak 781 weight 0.10000E+01 volume 0.49840E-02 ppm1 1.244 ppm2 7.705 CV 1
ASSI { 782}
( segid "PEPT" and resid 139 and name HG2%)
(( segid "PEPT" and resid 138 and name HA ))
4.000 2.000 2.000 peak 782 weight 0.10000E+01 volume 0.14554E-02 ppm1 1.240 ppm2 5.283 CV 1
ASSI { 783}
( segid "PEPT" and resid 139 and name HG2%)
(( segid "PEPT" and resid 139 and name HB ))
1.900 0.500 0.500 peak 783 weight 0.10000E+01 volume 0.21405E-01 ppm1 1.243 ppm2 4.732 CV 1
ASSI { 784}
( segid "PEPT" and resid 139 and name HG2%)
(( segid "PEPT" and resid 139 and name HA ))
2.800 0.900 0.900 peak 784 weight 0.10000E+01 volume 0.92872E-02 ppm1 1.245 ppm2 4.416 CV 1
ASSI { 785}
( segid "PEPT" and resid 139 and name HG2%)
(( segid "PEPT" and resid 140 and name HB2 ))
3.800 1.800 1.800 peak 785 weight 0.10000E+01 volume 0.21409E-02 ppm1 1.245 ppm2 2.688 CV 1
OR { 785}
( segid "PEPT" and resid 139 and name HG2%)
(( segid "PEPT" and resid 140 and name HB1 ))
ASSI { 786}
( segid "PEPT" and resid 139 and name HG2%)
(( segid "PEPT" and resid 141 and name HG2 ))
3.300 3.300 2.700 peak 786 weight 0.10000E+01 volume 0.43564E-02 ppm1 1.248 ppm2 2.362 CV 1
OR { 786}
( segid "PEPT" and resid 139 and name HG2%)
(( segid "PEPT" and resid 141 and name HG1 ))
ASSI { 787}
( segid "PEPT" and resid 139 and name HG2%)
(( segid "PEPT" and resid 141 and name HB2 ))
3.400 1.500 2.500 peak 787 weight 0.10000E+01 volume 0.16459E-02 ppm1 1.245 ppm2 2.103 CV 1
ASSI { 789}
( segid "PEPT" and resid 108 and name HG2%)
(( segid "PEPT" and resid 108 and name HN ))
3.400 1.400 1.400 peak 789 weight 0.10000E+01 volume 0.24836E-02 ppm1 0.860 ppm2 8.626 CV 1
ASSI { 790}
( segid "PEPT" and resid 108 and name HG2%)
(( segid "PEPT" and resid 109 and name HA ))
2.700 0.900 2.900 peak 790 weight 0.10000E+01 volume 0.56152E-02 ppm1 0.855 ppm2 4.753 CV 1
ASSI { 797}
( segid "PEPT" and resid 19 and name HB% )
(( segid "PEPT" and resid 19 and name HA ))
2.400 0.700 0.700 peak 797 weight 0.10000E+01 volume 0.42471E-02 ppm1 0.773 ppm2 5.416 CV 1
ASSI { 798}
( segid "PEPT" and resid 19 and name HB% )
(( segid "PEPT" and resid 143 and name HA ))
3.000 1.200 1.200 peak 798 weight 0.10000E+01 volume 0.21428E-02 ppm1 0.768 ppm2 4.770 CV 1
ASSI { 799}
( segid "PEPT" and resid 19 and name HB% )
(( segid "PEPT" and resid 112 and name HG1 ))
3.000 1.100 1.100 peak 799 weight 0.10000E+01 volume 0.35394E-02 ppm1 0.772 ppm2 2.538 CV 1
OR { 799}
( segid "PEPT" and resid 19 and name HB% )
(( segid "PEPT" and resid 112 and name HG2 ))
ASSI { 800}
( segid "PEPT" and resid 19 and name HB% )
(( segid "PEPT" and resid 112 and name HB2 ))
2.900 1.000 1.000 peak 800 weight 0.10000E+01 volume 0.23857E-02 ppm1 0.777 ppm2 2.170 CV 1
OR { 800}
( segid "PEPT" and resid 19 and name HB% )
(( segid "PEPT" and resid 112 and name HB1 ))
ASSI { 803}
( segid "PEPT" and resid 15 and name HG2%)
(( segid "PEPT" and resid 16 and name HN ))
3.500 1.600 1.600 peak 803 weight 0.10000E+01 volume 0.15288E-02 ppm1 0.574 ppm2 8.417 CV 1
OR { 803}
( segid "PEPT" and resid 15 and name HG1%)
(( segid "PEPT" and resid 16 and name HN ))
ASSI { 804}
( segid "PEPT" and resid 15 and name HG2%)
(( segid "PEPT" and resid 114 and name HN ))
4.000 2.000 2.000 peak 804 weight 0.10000E+01 volume 0.65439E-03 ppm1 0.571 ppm2 8.038 CV 1
OR { 804}
( segid "PEPT" and resid 15 and name HG1%)
(( segid "PEPT" and resid 114 and name HN ))
ASSI { 805}
( segid "PEPT" and resid 15 and name HG2%)
(( segid "PEPT" and resid 17 and name HN ))
3.700 1.700 1.700 peak 805 weight 0.10000E+01 volume 0.98326E-03 ppm1 0.572 ppm2 7.573 CV 1
OR { 805}
( segid "PEPT" and resid 15 and name HG1%)
(( segid "PEPT" and resid 17 and name HN ))
ASSI { 806}
( segid "PEPT" and resid 15 and name HG1%)
(( segid "PEPT" and resid 35 and name HN ))
4.200 2.200 1.800 peak 806 weight 0.10000E+01 volume 0.71194E-03 ppm1 0.573 ppm2 7.391 CV 1
OR { 806}
( segid "PEPT" and resid 15 and name HG2%)
(( segid "PEPT" and resid 35 and name HN ))
ASSI { 812}
( segid "PEPT" and resid 15 and name HG2%)
(( segid "PEPT" and resid 15 and name HB ))
2.200 0.600 0.600 peak 812 weight 0.10000E+01 volume 0.85812E-02 ppm1 0.573 ppm2 1.938 CV 1
OR { 812}
( segid "PEPT" and resid 15 and name HG1%)
(( segid "PEPT" and resid 15 and name HB ))
ASSI { 813}
( segid "PEPT" and resid 15 and name HG2%)
(( segid "PEPT" and resid 113 and name HG1 ))
3.200 1.200 1.200 peak 813 weight 0.10000E+01 volume 0.22961E-02 ppm1 0.573 ppm2 1.269 CV 1
OR { 813}
( segid "PEPT" and resid 15 and name HG2%)
(( segid "PEPT" and resid 113 and name HG2 ))
OR { 813}
( segid "PEPT" and resid 15 and name HG1%)
(( segid "PEPT" and resid 113 and name HG1 ))
ASSI { 818}
( segid "PEPT" and resid 65 and name HG2%)
(( segid "PEPT" and resid 65 and name HA ))
2.600 0.800 0.800 peak 818 weight 0.10000E+01 volume 0.40806E-02 ppm1 1.137 ppm2 5.189 CV 1
ASSI { 819}
( segid "PEPT" and resid 65 and name HG2%)
(( segid "PEPT" and resid 48 and name HA ))
3.600 1.700 1.700 peak 819 weight 0.10000E+01 volume 0.18861E-02 ppm1 1.134 ppm2 4.935 CV 1
ASSI { 820}
( segid "PEPT" and resid 65 and name HG2%)
(( segid "PEPT" and resid 48 and name HE1 ))
3.700 1.700 1.700 peak 820 weight 0.10000E+01 volume 0.13035E-02 ppm1 1.137 ppm2 2.709 CV 1
OR { 820}
( segid "PEPT" and resid 65 and name HG2%)
(( segid "PEPT" and resid 48 and name HE2 ))
ASSI { 822}
( segid "PEPT" and resid 65 and name HG2%)
(( segid "PEPT" and resid 67 and name HB2 ))
3.200 1.300 1.300 peak 822 weight 0.10000E+01 volume 0.22410E-02 ppm1 1.133 ppm2 2.072 CV 1
ASSI { 823}
( segid "PEPT" and resid 65 and name HG2%)
(( segid "PEPT" and resid 48 and name HD1 ))
3.200 1.300 1.300 peak 823 weight 0.10000E+01 volume 0.12883E-02 ppm1 1.119 ppm2 1.501 CV 1
OR { 823}
( segid "PEPT" and resid 65 and name HG2%)
(( segid "PEPT" and resid 48 and name HD2 ))
OR { 823}
( segid "PEPT" and resid 65 and name HG2%)
(( segid "PEPT" and resid 48 and name HG2 ))
OR { 823}
( segid "PEPT" and resid 65 and name HG2%)
(( segid "PEPT" and resid 48 and name HG1 ))
ASSI { 835}
( segid "PEPT" and resid 154 and name HG2%)
(( segid "PEPT" and resid 155 and name HN ))
3.000 1.100 1.100 peak 835 weight 0.10000E+01 volume 0.19819E-02 ppm1 0.698 ppm2 8.387 CV 1
ASSI { 836}
( segid "PEPT" and resid 154 and name HG2%)
(( segid "PEPT" and resid 154 and name HN ))
3.700 1.700 1.700 peak 836 weight 0.10000E+01 volume 0.34605E-02 ppm1 0.695 ppm2 6.926 CV 1
ASSI { 837}
( segid "PEPT" and resid 154 and name HG2%)
(( segid "PEPT" and resid 144 and name HA ))
3.000 1.100 2.100 peak 837 weight 0.10000E+01 volume 0.46392E-02 ppm1 0.700 ppm2 4.798 CV 1
ASSI { 838}
( segid "PEPT" and resid 154 and name HG2%)
(( segid "PEPT" and resid 154 and name HA ))
2.400 0.700 0.700 peak 838 weight 0.10000E+01 volume 0.37189E-02 ppm1 0.697 ppm2 4.110 CV 1
ASSI { 842}
( segid "PEPT" and resid 154 and name HG2%)
(( segid "PEPT" and resid 147 and name HB2 ))
3.400 1.500 1.500 peak 842 weight 0.10000E+01 volume 0.25081E-02 ppm1 0.702 ppm2 2.376 CV 1
ASSI { 843}
( segid "PEPT" and resid 154 and name HG2%)
(( segid "PEPT" and resid 154 and name HB ))
2.100 0.600 0.600 peak 843 weight 0.10000E+01 volume 0.96369E-02 ppm1 0.698 ppm2 1.962 CV 1
ASSI { 844}
( segid "PEPT" and resid 154 and name HG2%)
( segid "PEPT" and resid 144 and name HB% )
2.700 0.900 3.300 peak 844 weight 0.10000E+01 volume 0.34263E-02 ppm1 0.700 ppm2 1.307 CV 1
ASSI { 846}
( segid "PEPT" and resid 49 and name HG2%)
(( segid "PEPT" and resid 49 and name HN ))
3.800 1.800 1.800 peak 846 weight 0.10000E+01 volume 0.23221E-02 ppm1 0.526 ppm2 8.891 CV 1
ASSI { 847}
( segid "PEPT" and resid 49 and name HG2%)
(( segid "PEPT" and resid 50 and name HN ))
2.700 0.900 0.900 peak 847 weight 0.10000E+01 volume 0.18229E-02 ppm1 0.530 ppm2 8.351 CV 1
ASSI { 853}
( segid "PEPT" and resid 49 and name HG2%)
(( segid "PEPT" and resid 49 and name HA ))
2.500 0.800 0.800 peak 853 weight 0.10000E+01 volume 0.24959E-02 ppm1 0.528 ppm2 4.530 CV 1
ASSI { 855}
( segid "PEPT" and resid 49 and name HG2%)
(( segid "PEPT" and resid 39 and name HG11))
3.400 1.500 2.500 peak 855 weight 0.10000E+01 volume 0.45309E-02 ppm1 0.538 ppm2 1.151 CV 1
ASSI { 859}
( segid "PEPT" and resid 49 and name HG1%)
(( segid "PEPT" and resid 66 and name HA ))
3.700 1.700 1.700 peak 859 weight 0.10000E+01 volume 0.16327E-02 ppm1 -0.138 ppm2 4.770 CV 1
ASSI { 860}
( segid "PEPT" and resid 144 and name HB% )
(( segid "PEPT" and resid 18 and name HN ))
2.600 0.900 1.900 peak 860 weight 0.10000E+01 volume 0.43232E-02 ppm1 1.295 ppm2 8.562 CV 1
ASSI { 861}
( segid "PEPT" and resid 144 and name HB% )
(( segid "PEPT" and resid 146 and name HN ))
3.800 1.800 2.200 peak 861 weight 0.10000E+01 volume 0.11988E-02 ppm1 1.289 ppm2 7.868 CV 1
ASSI { 863}
( segid "PEPT" and resid 144 and name HB% )
(( segid "PEPT" and resid 19 and name HA ))
3.300 1.400 1.400 peak 863 weight 0.10000E+01 volume 0.12688E-02 ppm1 1.286 ppm2 5.418 CV 1
ASSI { 864}
( segid "PEPT" and resid 144 and name HB% )
(( segid "PEPT" and resid 144 and name HA ))
2.500 0.800 0.800 peak 864 weight 0.10000E+01 volume 0.40091E-02 ppm1 1.286 ppm2 4.782 CV 1
ASSI { 868}
( segid "PEPT" and resid 65 and name HG2%)
(( segid "PEPT" and resid 66 and name HN ))
3.100 1.200 1.200 peak 868 weight 0.10000E+01 volume 0.16696E-02 ppm1 1.153 ppm2 8.333 CV 1
ASSI { 873}
( segid "PEPT" and resid 65 and name HG2%)
(( segid "PEPT" and resid 66 and name HA ))
2.600 2.600 3.400 peak 873 weight 0.10000E+01 volume 0.84497E-02 ppm1 1.134 ppm2 4.759 CV 1
ASSI { 879}
( segid "PEPT" and resid 49 and name HG1%)
(( segid "PEPT" and resid 38 and name HN ))
4.300 2.300 1.700 peak 879 weight 0.10000E+01 volume 0.69833E-03 ppm1 -0.132 ppm2 9.205 CV 1
ASSI { 904}
( segid "PEPT" and resid 144 and name HB% )
(( segid "PEPT" and resid 144 and name HN ))
2.700 0.900 0.900 peak 904 weight 0.10000E+01 volume 0.37393E-02 ppm1 1.297 ppm2 9.588 CV 1
ASSI { 906}
( segid "PEPT" and resid 97 and name HG1%)
(( segid "PEPT" and resid 129 and name HA ))
2.500 0.800 1.800 peak 906 weight 0.10000E+01 volume 0.17829E-02 ppm1 1.210 ppm2 4.014 CV 1
ASSI { 908}
( segid "PEPT" and resid 101 and name HG2%)
(( segid "PEPT" and resid 101 and name HN ))
3.500 1.500 1.500 peak 908 weight 0.10000E+01 volume 0.14881E-02 ppm1 1.107 ppm2 9.459 CV 1
ASSI { 909}
( segid "PEPT" and resid 101 and name HG2%)
(( segid "PEPT" and resid 102 and name HN ))
3.200 1.300 1.300 peak 909 weight 0.10000E+01 volume 0.36808E-02 ppm1 1.108 ppm2 8.963 CV 1
ASSI { 910}
( segid "PEPT" and resid 101 and name HG2%)
(( segid "PEPT" and resid 110 and name HN ))
3.200 1.200 2.800 peak 910 weight 0.10000E+01 volume 0.23513E-02 ppm1 1.108 ppm2 8.490 CV 1
ASSI { 923}
( segid "PEPT" and resid 157 and name HG2%)
(( segid "PEPT" and resid 157 and name HB ))
3.600 1.600 1.600 peak 923 weight 0.10000E+01 volume 0.56198E-03 ppm1 0.859 ppm2 2.016 CV 1
ASSI { 924}
( segid "PEPT" and resid 157 and name HG2%)
(( segid "PEPT" and resid 157 and name HN ))
4.300 2.300 1.700 peak 924 weight 0.10000E+01 volume 0.44424E-03 ppm1 0.825 ppm2 7.587 CV 1
ASSI { 925}
( segid "PEPT" and resid 157 and name HG2%)
(( segid "PEPT" and resid 157 and name HA ))
4.600 2.600 1.400 peak 925 weight 0.10000E+01 volume 0.36776E-03 ppm1 0.823 ppm2 3.945 CV 1
ASSI { 928}
( segid "PEPT" and resid 88 and name HD1%)
(( segid "PEPT" and resid 97 and name HN ))
4.000 2.000 2.000 peak 928 weight 0.10000E+01 volume 0.12405E-02 ppm1 0.649 ppm2 9.350 CV 1
OR { 928}
( segid "PEPT" and resid 88 and name HD2%)
(( segid "PEPT" and resid 97 and name HN ))
ASSI { 930}
( segid "PEPT" and resid 88 and name HD1%)
(( segid "PEPT" and resid 87 and name HA ))
3.500 1.500 1.500 peak 930 weight 0.10000E+01 volume 0.31363E-02 ppm1 0.645 ppm2 4.243 CV 1
OR { 930}
( segid "PEPT" and resid 88 and name HD2%)
(( segid "PEPT" and resid 87 and name HA ))
ASSI { 942}
( segid "PEPT" and resid 101 and name HG2%)
(( segid "PEPT" and resid 110 and name HA ))
3.300 1.400 1.400 peak 942 weight 0.10000E+01 volume 0.11268E-02 ppm1 1.107 ppm2 6.045 CV 1
ASSI { 949}
( segid "PEPT" and resid 87 and name HG1%)
(( segid "PEPT" and resid 87 and name HN ))
3.300 1.400 1.400 peak 949 weight 0.10000E+01 volume 0.18382E-02 ppm1 0.650 ppm2 8.774 CV 1
ASSI { 952}
( segid "PEPT" and resid 87 and name HG1%)
( segid "PEPT" and resid 92 and name HD% )
3.600 1.800 4.400 peak 952 weight 0.10000E+01 volume 0.15224E-02 ppm1 0.645 ppm2 6.727 CV 1
ASSI { 954}
( segid "PEPT" and resid 88 and name HD1%)
(( segid "PEPT" and resid 132 and name HA ))
3.600 1.600 1.600 peak 954 weight 0.10000E+01 volume 0.28473E-02 ppm1 0.645 ppm2 3.904 CV 1
OR { 954}
( segid "PEPT" and resid 88 and name HD2%)
(( segid "PEPT" and resid 132 and name HA ))
ASSI { 957}
( segid "PEPT" and resid 53 and name HG1%)
(( segid "PEPT" and resid 53 and name HN ))
3.100 1.200 1.200 peak 957 weight 0.10000E+01 volume 0.16820E-02 ppm1 0.417 ppm2 9.142 CV 1
ASSI { 962}
( segid "PEPT" and resid 53 and name HG1%)
(( segid "PEPT" and resid 35 and name HA ))
3.600 1.600 1.600 peak 962 weight 0.10000E+01 volume 0.69350E-03 ppm1 0.421 ppm2 5.240 CV 1
ASSI { 963}
( segid "PEPT" and resid 53 and name HG1%)
(( segid "PEPT" and resid 53 and name HA ))
3.100 1.200 1.200 peak 963 weight 0.10000E+01 volume 0.16807E-02 ppm1 0.417 ppm2 4.759 CV 1
ASSI { 965}
( segid "PEPT" and resid 53 and name HG1%)
(( segid "PEPT" and resid 53 and name HB ))
2.600 0.900 0.900 peak 965 weight 0.10000E+01 volume 0.31943E-02 ppm1 0.419 ppm2 1.850 CV 1
ASSI { 968}
( segid "PEPT" and resid 53 and name HG1%)
( segid "PEPT" and resid 53 and name HG2%)
2.700 0.900 0.900 peak 968 weight 0.10000E+01 volume 0.42034E-02 ppm1 0.418 ppm2 0.738 CV 1
ASSI { 969}
( segid "PEPT" and resid 52 and name HB% )
(( segid "PEPT" and resid 35 and name HA ))
3.700 1.700 2.300 peak 969 weight 0.10000E+01 volume 0.16266E-02 ppm1 0.913 ppm2 5.243 CV 1
ASSI { 980}
( segid "PEPT" and resid 52 and name HB% )
(( segid "PEPT" and resid 53 and name HN ))
3.700 1.700 1.700 peak 980 weight 0.10000E+01 volume 0.14721E-02 ppm1 0.930 ppm2 9.163 CV 1
ASSI { 981}
( segid "PEPT" and resid 52 and name HB% )
(( segid "PEPT" and resid 52 and name HN ))
2.800 1.000 1.000 peak 981 weight 0.10000E+01 volume 0.17694E-02 ppm1 0.934 ppm2 8.568 CV 1
ASSI { 982}
( segid "PEPT" and resid 52 and name HB% )
(( segid "PEPT" and resid 37 and name HA ))
2.200 2.200 3.800 peak 982 weight 0.10000E+01 volume 0.23913E-02 ppm1 0.933 ppm2 5.432 CV 1
ASSI { 989}
( segid "PEPT" and resid 52 and name HB% )
(( segid "PEPT" and resid 36 and name HB2 ))
2.000 0.500 0.500 peak 989 weight 0.10000E+01 volume 0.22493E-01 ppm1 0.916 ppm2 1.898 CV 1
OR { 989}
( segid "PEPT" and resid 52 and name HB% )
(( segid "PEPT" and resid 36 and name HB1 ))
ASSI { 993}
( segid "PEPT" and resid 75 and name HG2%)
(( segid "PEPT" and resid 76 and name HB2 ))
3.600 1.600 1.600 peak 993 weight 0.10000E+01 volume 0.21607E-02 ppm1 0.849 ppm2 2.702 CV 1
OR { 993}
( segid "PEPT" and resid 75 and name HG2%)
(( segid "PEPT" and resid 76 and name HB1 ))
ASSI { 999}
( segid "PEPT" and resid 75 and name HG2%)
( segid "PEPT" and resid 76 and name HD% )
3.100 3.100 2.900 peak 999 weight 0.10000E+01 volume 0.46445E-02 ppm1 0.810 ppm2 6.683 CV 1
OR { 999}
( segid "PEPT" and resid 75 and name HG2%)
( segid "PEPT" and resid 76 and name HE% )
ASSI { 1001}
( segid "PEPT" and resid 75 and name HG2%)
(( segid "PEPT" and resid 87 and name HB ))
2.100 2.100 3.900 peak 1001 weight 0.10000E+01 volume 0.12731E-01 ppm1 0.808 ppm2 2.293 CV 1
ASSI { 1018}
( segid "PEPT" and resid 153 and name HG2%)
(( segid "PEPT" and resid 147 and name HB2 ))
3.000 1.100 3.000 peak 1018 weight 0.10000E+01 volume 0.17345E-02 ppm1 1.035 ppm2 2.377 CV 1
ASSI { 1019}
( segid "PEPT" and resid 153 and name HG2%)
(( segid "PEPT" and resid 152 and name HN ))
3.200 1.200 2.200 peak 1019 weight 0.10000E+01 volume 0.13360E-02 ppm1 1.027 ppm2 9.579 CV 1
ASSI { 1021}
( segid "PEPT" and resid 153 and name HG2%)
(( segid "PEPT" and resid 151 and name HN ))
3.300 1.300 1.300 peak 1021 weight 0.10000E+01 volume 0.12983E-02 ppm1 1.027 ppm2 7.992 CV 1
ASSI { 1025}
( segid "PEPT" and resid 153 and name HG2%)
(( segid "PEPT" and resid 153 and name HB ))
2.200 0.600 0.600 peak 1025 weight 0.10000E+01 volume 0.94867E-02 ppm1 1.030 ppm2 4.108 CV 1
ASSI { 1026}
( segid "PEPT" and resid 153 and name HG2%)
(( segid "PEPT" and resid 152 and name HB2 ))
2.600 2.600 3.400 peak 1026 weight 0.10000E+01 volume 0.81863E-03 ppm1 1.027 ppm2 3.077 CV 1
OR { 1026}
( segid "PEPT" and resid 153 and name HG2%)
(( segid "PEPT" and resid 152 and name HB1 ))
ASSI { 1033}
( segid "PEPT" and resid 75 and name HG2%)
(( segid "PEPT" and resid 70 and name HB1 ))
2.600 0.800 1.800 peak 1033 weight 0.10000E+01 volume 0.64893E-02 ppm1 0.824 ppm2 4.089 CV 1
ASSI { 1052}
( segid "PEPT" and resid 153 and name HG2%)
(( segid "PEPT" and resid 154 and name HN ))
4.000 2.000 2.000 peak 1052 weight 0.10000E+01 volume 0.17600E-02 ppm1 1.028 ppm2 6.906 CV 1
ASSI { 1053}
( segid "PEPT" and resid 53 and name HG2%)
(( segid "PEPT" and resid 53 and name HN ))
3.200 1.300 1.300 peak 1053 weight 0.10000E+01 volume 0.15615E-02 ppm1 0.755 ppm2 9.115 CV 1
ASSI { 1058}
( segid "PEPT" and resid 53 and name HG2%)
(( segid "PEPT" and resid 63 and name HA ))
3.700 1.700 1.700 peak 1058 weight 0.10000E+01 volume 0.19125E-02 ppm1 0.749 ppm2 5.598 CV 1
ASSI { 1060}
( segid "PEPT" and resid 53 and name HG2%)
(( segid "PEPT" and resid 53 and name HA ))
2.500 0.800 0.800 peak 1060 weight 0.10000E+01 volume 0.11844E-01 ppm1 0.749 ppm2 4.750 CV 1
ASSI { 1064}
( segid "PEPT" and resid 157 and name HG1%)
(( segid "PEPT" and resid 157 and name HA ))
3.600 1.700 1.700 peak 1064 weight 0.10000E+01 volume 0.11044E-02 ppm1 0.801 ppm2 3.944 CV 1
ASSI { 1066}
( segid "PEPT" and resid 154 and name HG1%)
(( segid "PEPT" and resid 155 and name HA ))
4.400 2.400 1.600 peak 1066 weight 0.10000E+01 volume 0.64092E-03 ppm1 0.663 ppm2 4.488 CV 1
ASSI { 1077}
( segid "PEPT" and resid 157 and name HG1%)
(( segid "PEPT" and resid 157 and name HN ))
3.400 1.500 1.500 peak 1077 weight 0.10000E+01 volume 0.10902E-02 ppm1 0.802 ppm2 7.605 CV 1
ASSI { 1083}
( segid "PEPT" and resid 154 and name HG1%)
(( segid "PEPT" and resid 155 and name HN ))
3.400 1.400 1.400 peak 1083 weight 0.10000E+01 volume 0.22513E-02 ppm1 0.664 ppm2 8.377 CV 1
ASSI { 1084}
( segid "PEPT" and resid 154 and name HG1%)
(( segid "PEPT" and resid 154 and name HN ))
2.900 1.000 1.000 peak 1084 weight 0.10000E+01 volume 0.37464E-02 ppm1 0.663 ppm2 6.920 CV 1
ASSI { 1086}
( segid "PEPT" and resid 154 and name HG1%)
(( segid "PEPT" and resid 144 and name HA ))
3.000 1.100 3.000 peak 1086 weight 0.10000E+01 volume 0.54184E-02 ppm1 0.660 ppm2 4.807 CV 1
ASSI { 1087}
( segid "PEPT" and resid 154 and name HG1%)
(( segid "PEPT" and resid 154 and name HA ))
3.500 1.500 1.500 peak 1087 weight 0.10000E+01 volume 0.24823E-02 ppm1 0.663 ppm2 4.110 CV 1
ASSI { 1092}
( segid "PEPT" and resid 154 and name HG1%)
(( segid "PEPT" and resid 154 and name HB ))
2.500 0.800 0.800 peak 1092 weight 0.10000E+01 volume 0.42157E-02 ppm1 0.663 ppm2 1.965 CV 1
ASSI { 1093}
( segid "PEPT" and resid 154 and name HG1%)
( segid "PEPT" and resid 144 and name HB% )
3.300 1.400 2.700 peak 1093 weight 0.10000E+01 volume 0.16711E-02 ppm1 0.663 ppm2 1.287 CV 1
ASSI { 1118}
( segid "PEPT" and resid 81 and name HB% )
(( segid "PEPT" and resid 81 and name HA ))
2.500 0.800 0.800 peak 1118 weight 0.10000E+01 volume 0.61081E-02 ppm1 1.370 ppm2 4.365 CV 1
ASSI { 1119}
( segid "PEPT" and resid 81 and name HB% )
(( segid "PEPT" and resid 82 and name HA ))
3.600 1.700 1.700 peak 1119 weight 0.10000E+01 volume 0.16247E-02 ppm1 1.367 ppm2 3.890 CV 1
ASSI { 1123}
( segid "PEPT" and resid 81 and name HB% )
(( segid "PEPT" and resid 80 and name HB1 ))
2.500 0.800 3.500 peak 1123 weight 0.10000E+01 volume 0.96313E-03 ppm1 1.369 ppm2 2.020 CV 1
ASSI { 1133}
( segid "PEPT" and resid 10 and name HB% )
(( segid "PEPT" and resid 11 and name HA1 ))
3.800 1.800 1.800 peak 1133 weight 0.10000E+01 volume 0.27433E-02 ppm1 1.654 ppm2 3.685 CV 1
ASSI { 1134}
( segid "PEPT" and resid 10 and name HB% )
( segid "PEPT" and resid 9 and name HG2%)
3.700 1.700 2.300 peak 1134 weight 0.10000E+01 volume 0.20018E-02 ppm1 1.661 ppm2 1.062 CV 1
ASSI { 1136}
( segid "PEPT" and resid 10 and name HB% )
(( segid "PEPT" and resid 11 and name HN ))
2.800 1.000 1.000 peak 1136 weight 0.10000E+01 volume 0.44290E-02 ppm1 1.657 ppm2 8.708 CV 1
ASSI { 1138}
( segid "PEPT" and resid 10 and name HB% )
(( segid "PEPT" and resid 11 and name HA2 ))
4.300 2.300 1.700 peak 1138 weight 0.10000E+01 volume 0.12899E-02 ppm1 1.657 ppm2 4.642 CV 1
ASSI { 1139}
( segid "PEPT" and resid 10 and name HB% )
(( segid "PEPT" and resid 9 and name HA ))
4.000 2.000 2.000 peak 1139 weight 0.10000E+01 volume 0.77833E-03 ppm1 1.655 ppm2 4.370 CV 1
ASSI { 1151}
( segid "PEPT" and resid 121 and name HG1%)
(( segid "PEPT" and resid 121 and name HN ))
2.800 0.900 1.900 peak 1151 weight 0.10000E+01 volume 0.58535E-02 ppm1 0.783 ppm2 7.869 CV 1
ASSI { 1152}
( segid "PEPT" and resid 121 and name HG1%)
( segid "PEPT" and resid 121 and name HG2%)
2.300 0.600 0.600 peak 1152 weight 0.10000E+01 volume 0.15278E-01 ppm1 0.786 ppm2 1.110 CV 1
ASSI { 1153}
( segid "PEPT" and resid 121 and name HG1%)
(( segid "PEPT" and resid 122 and name HN ))
3.400 1.500 2.500 peak 1153 weight 0.10000E+01 volume 0.19455E-02 ppm1 0.782 ppm2 8.637 CV 1
ASSI { 1155}
( segid "PEPT" and resid 121 and name HG1%)
(( segid "PEPT" and resid 122 and name HA ))
3.700 1.700 1.700 peak 1155 weight 0.10000E+01 volume 0.13508E-02 ppm1 0.780 ppm2 4.752 CV 1
ASSI { 1156}
( segid "PEPT" and resid 121 and name HG1%)
(( segid "PEPT" and resid 121 and name HA ))
2.700 0.900 0.900 peak 1156 weight 0.10000E+01 volume 0.44995E-02 ppm1 0.784 ppm2 4.188 CV 1
ASSI { 1157}
( segid "PEPT" and resid 121 and name HG1%)
(( segid "PEPT" and resid 116 and name HB1 ))
3.000 1.100 3.000 peak 1157 weight 0.10000E+01 volume 0.13819E-02 ppm1 0.783 ppm2 3.668 CV 1
ASSI { 1173}
( segid "PEPT" and resid 9 and name HG2%)
( segid "PEPT" and resid 92 and name HD% )
4.100 2.100 2.900 peak 1173 weight 0.10000E+01 volume 0.23098E-02 ppm1 1.062 ppm2 6.719 CV 1
ASSI { 1175}
( segid "PEPT" and resid 9 and name HG2%)
( segid "PEPT" and resid 9 and name HD1%)
2.300 0.600 0.600 peak 1175 weight 0.10000E+01 volume 0.49851E-02 ppm1 1.064 ppm2 0.823 CV 1
ASSI { 1177}
( segid "PEPT" and resid 9 and name HG2%)
(( segid "PEPT" and resid 13 and name HD1 ))
3.900 1.900 2.100 peak 1177 weight 0.10000E+01 volume 0.26078E-02 ppm1 1.063 ppm2 7.131 CV 1
ASSI { 1180}
( segid "PEPT" and resid 9 and name HG2%)
(( segid "PEPT" and resid 39 and name HA ))
4.100 2.100 1.900 peak 1180 weight 0.10000E+01 volume 0.16042E-02 ppm1 1.059 ppm2 5.009 CV 1
ASSI { 1181}
( segid "PEPT" and resid 9 and name HG2%)
(( segid "PEPT" and resid 9 and name HA ))
2.700 0.900 0.900 peak 1181 weight 0.10000E+01 volume 0.39569E-02 ppm1 1.063 ppm2 4.337 CV 1
ASSI { 1183}
( segid "PEPT" and resid 9 and name HG2%)
(( segid "PEPT" and resid 92 and name HA ))
4.100 2.100 1.900 peak 1183 weight 0.10000E+01 volume 0.12137E-02 ppm1 1.057 ppm2 3.526 CV 1
ASSI { 1185}
( segid "PEPT" and resid 9 and name HG2%)
(( segid "PEPT" and resid 9 and name HG11))
2.800 1.000 1.000 peak 1185 weight 0.10000E+01 volume 0.30416E-02 ppm1 1.062 ppm2 1.390 CV 1
ASSI { 1186}
( segid "PEPT" and resid 9 and name HG2%)
( segid "PEPT" and resid 39 and name HG2%)
2.700 2.700 3.300 peak 1186 weight 0.10000E+01 volume 0.17916E-02 ppm1 1.057 ppm2 0.556 CV 1
ASSI { 1187}
( segid "PEPT" and resid 9 and name HG2%)
( segid "PEPT" and resid 39 and name HD1%)
2.700 0.900 0.900 peak 1187 weight 0.10000E+01 volume 0.35983E-02 ppm1 1.062 ppm2 0.313 CV 1
ASSI { 1212}
( segid "PEPT" and resid 9 and name HG2%)
(( segid "PEPT" and resid 13 and name HE1 ))
3.700 1.700 1.700 peak 1212 weight 0.10000E+01 volume 0.11504E-02 ppm1 1.070 ppm2 10.332 CV 1
ASSI { 1213}
( segid "PEPT" and resid 98 and name HG2%)
(( segid "PEPT" and resid 98 and name HN ))
2.700 0.900 0.900 peak 1213 weight 0.10000E+01 volume 0.18389E-02 ppm1 0.945 ppm2 9.569 CV 1
ASSI { 1216}
( segid "PEPT" and resid 98 and name HG2%)
(( segid "PEPT" and resid 98 and name HA ))
3.200 1.300 1.300 peak 1216 weight 0.10000E+01 volume 0.24969E-02 ppm1 0.941 ppm2 5.129 CV 1
ASSI { 1222}
( segid "PEPT" and resid 98 and name HG2%)
(( segid "PEPT" and resid 97 and name HB ))
5.000 3.200 1.000 peak 1222 weight 0.10000E+01 volume 0.49583E-03 ppm1 0.935 ppm2 2.197 CV 1
ASSI { 1223}
( segid "PEPT" and resid 98 and name HG2%)
(( segid "PEPT" and resid 98 and name HG11))
3.000 1.100 1.100 peak 1223 weight 0.10000E+01 volume 0.15392E-02 ppm1 0.935 ppm2 1.486 CV 1
ASSI { 1230}
( segid "PEPT" and resid 16 and name HG1%)
(( segid "PEPT" and resid 17 and name HN ))
3.400 1.500 1.500 peak 1230 weight 0.10000E+01 volume 0.20813E-02 ppm1 0.708 ppm2 7.587 CV 1
ASSI { 1234}
( segid "PEPT" and resid 16 and name HG1%)
(( segid "PEPT" and resid 116 and name HB1 ))
4.000 2.000 2.000 peak 1234 weight 0.10000E+01 volume 0.23681E-02 ppm1 0.708 ppm2 3.670 CV 1
ASSI { 1235}
( segid "PEPT" and resid 16 and name HG1%)
(( segid "PEPT" and resid 16 and name HB ))
2.600 0.800 0.800 peak 1235 weight 0.10000E+01 volume 0.29505E-02 ppm1 0.706 ppm2 2.466 CV 1
ASSI { 1238}
( segid "PEPT" and resid 16 and name HG1%)
( segid "PEPT" and resid 16 and name HG2%)
2.100 0.500 0.500 peak 1238 weight 0.10000E+01 volume 0.17712E-01 ppm1 0.710 ppm2 1.039 CV 1
ASSI { 1241}
( segid "PEPT" and resid 16 and name HG1%)
(( segid "PEPT" and resid 146 and name HN ))
3.100 1.200 2.200 peak 1241 weight 0.10000E+01 volume 0.18870E-02 ppm1 0.702 ppm2 7.883 CV 1
ASSI { 1244}
( segid "PEPT" and resid 16 and name HG1%)
(( segid "PEPT" and resid 16 and name HA ))
3.000 1.100 1.100 peak 1244 weight 0.10000E+01 volume 0.19681E-02 ppm1 0.708 ppm2 4.613 CV 1
ASSI { 1256}
( segid "PEPT" and resid 125 and name HB% )
( segid "PEPT" and resid 95 and name HE% )
5.000 3.100 1.000 peak 1256 weight 0.10000E+01 volume 0.12062E-02 ppm1 1.161 ppm2 6.671 CV 1
ASSI { 1257}
( segid "PEPT" and resid 125 and name HB% )
(( segid "PEPT" and resid 95 and name HA ))
3.500 1.600 1.600 peak 1257 weight 0.10000E+01 volume 0.10083E-02 ppm1 1.161 ppm2 6.160 CV 1
ASSI { 1258}
( segid "PEPT" and resid 125 and name HB% )
(( segid "PEPT" and resid 96 and name HN ))
3.700 1.800 1.800 peak 1258 weight 0.10000E+01 volume 0.70545E-03 ppm1 1.157 ppm2 9.070 CV 1
ASSI { 1259}
( segid "PEPT" and resid 125 and name HB% )
(( segid "PEPT" and resid 122 and name HN ))
3.000 1.100 1.100 peak 1259 weight 0.10000E+01 volume 0.14822E-02 ppm1 1.152 ppm2 8.653 CV 1
ASSI { 1260}
( segid "PEPT" and resid 125 and name HB% )
(( segid "PEPT" and resid 129 and name HN ))
4.600 2.600 1.400 peak 1260 weight 0.10000E+01 volume 0.41815E-03 ppm1 1.153 ppm2 8.232 CV 1
ASSI { 1261}
( segid "PEPT" and resid 125 and name HB% )
(( segid "PEPT" and resid 124 and name HN ))
4.500 2.500 1.500 peak 1261 weight 0.10000E+01 volume 0.87283E-03 ppm1 1.148 ppm2 8.028 CV 1
ASSI { 1264}
( segid "PEPT" and resid 125 and name HB% )
( segid "PEPT" and resid 95 and name HD% )
3.700 1.700 1.700 peak 1264 weight 0.10000E+01 volume 0.26803E-02 ppm1 1.155 ppm2 6.954 CV 1
ASSI { 1265}
( segid "PEPT" and resid 125 and name HB% )
(( segid "PEPT" and resid 122 and name HA ))
2.300 2.300 3.700 peak 1265 weight 0.10000E+01 volume 0.15259E-02 ppm1 1.152 ppm2 4.756 CV 1
ASSI { 1267}
( segid "PEPT" and resid 125 and name HB% )
(( segid "PEPT" and resid 122 and name HB1 ))
2.900 1.100 3.100 peak 1267 weight 0.10000E+01 volume 0.30114E-02 ppm1 1.153 ppm2 3.962 CV 1
ASSI { 1268}
( segid "PEPT" and resid 125 and name HB% )
(( segid "PEPT" and resid 95 and name HB2 ))
2.500 0.800 0.800 peak 1268 weight 0.10000E+01 volume 0.44142E-02 ppm1 1.151 ppm2 3.134 CV 1
ASSI { 1269}
( segid "PEPT" and resid 125 and name HB% )
(( segid "PEPT" and resid 128 and name HB ))
3.700 1.800 1.800 peak 1269 weight 0.10000E+01 volume 0.20596E-02 ppm1 1.150 ppm2 1.710 CV 1
ASSI { 1270}
( segid "PEPT" and resid 125 and name HB% )
( segid "PEPT" and resid 128 and name HD1%)
4.100 2.100 2.900 peak 1270 weight 0.10000E+01 volume 0.15460E-02 ppm1 1.154 ppm2 0.728 CV 1
ASSI { 1283}
( segid "PEPT" and resid 124 and name HB% )
(( segid "PEPT" and resid 126 and name HN ))
4.200 2.200 1.800 peak 1283 weight 0.10000E+01 volume 0.12199E-02 ppm1 1.303 ppm2 7.785 CV 1
ASSI { 1285}
( segid "PEPT" and resid 124 and name HB% )
(( segid "PEPT" and resid 122 and name HA ))
4.200 2.200 1.800 peak 1285 weight 0.10000E+01 volume 0.16694E-02 ppm1 1.301 ppm2 4.756 CV 1
ASSI { 1286}
( segid "PEPT" and resid 124 and name HB% )
(( segid "PEPT" and resid 122 and name HB2 ))
4.100 2.100 1.900 peak 1286 weight 0.10000E+01 volume 0.11776E-02 ppm1 1.300 ppm2 4.290 CV 1
ASSI { 1290}
( segid "PEPT" and resid 124 and name HB% )
( segid "PEPT" and resid 128 and name HD1%)
2.700 2.700 3.300 peak 1290 weight 0.10000E+01 volume 0.15360E-02 ppm1 1.302 ppm2 0.700 CV 1
ASSI { 1322}
( segid "PEPT" and resid 127 and name HB% )
(( segid "PEPT" and resid 130 and name HN ))
4.900 3.000 1.100 peak 1322 weight 0.10000E+01 volume 0.56878E-03 ppm1 1.436 ppm2 8.639 CV 1
ASSI { 1323}
( segid "PEPT" and resid 127 and name HB% )
(( segid "PEPT" and resid 129 and name HN ))
4.800 2.900 1.200 peak 1323 weight 0.10000E+01 volume 0.53229E-03 ppm1 1.444 ppm2 8.226 CV 1
ASSI { 1328}
( segid "PEPT" and resid 127 and name HB% )
(( segid "PEPT" and resid 131 and name HB2 ))
3.700 1.800 1.800 peak 1328 weight 0.10000E+01 volume 0.12105E-02 ppm1 1.440 ppm2 1.913 CV 1
OR { 1328}
( segid "PEPT" and resid 127 and name HB% )
(( segid "PEPT" and resid 131 and name HB1 ))
ASSI { 1329}
( segid "PEPT" and resid 127 and name HB% )
(( segid "PEPT" and resid 128 and name HG11))
3.200 1.300 2.800 peak 1329 weight 0.10000E+01 volume 0.19667E-02 ppm1 1.443 ppm2 1.084 CV 1
ASSI { 1331}
( segid "PEPT" and resid 127 and name HB% )
( segid "PEPT" and resid 128 and name HD1%)
4.700 2.700 2.300 peak 1331 weight 0.10000E+01 volume 0.11977E-02 ppm1 1.434 ppm2 0.672 CV 1
ASSI { 1332}
( segid "PEPT" and resid 128 and name HG2%)
(( segid "PEPT" and resid 132 and name HN ))
3.600 1.600 1.600 peak 1332 weight 0.10000E+01 volume 0.71405E-03 ppm1 0.990 ppm2 8.416 CV 1
ASSI { 1334}
( segid "PEPT" and resid 128 and name HG2%)
(( segid "PEPT" and resid 131 and name HN ))
4.400 2.400 1.600 peak 1334 weight 0.10000E+01 volume 0.37157E-03 ppm1 0.989 ppm2 8.033 CV 1
ASSI { 1335}
( segid "PEPT" and resid 128 and name HG2%)
(( segid "PEPT" and resid 128 and name HN ))
3.900 1.900 1.900 peak 1335 weight 0.10000E+01 volume 0.22672E-02 ppm1 0.990 ppm2 7.621 CV 1
ASSI { 1338}
( segid "PEPT" and resid 128 and name HG2%)
(( segid "PEPT" and resid 89 and name HA ))
2.400 2.400 3.600 peak 1338 weight 0.10000E+01 volume 0.12469E-02 ppm1 0.986 ppm2 4.760 CV 1
ASSI { 1339}
( segid "PEPT" and resid 128 and name HG2%)
(( segid "PEPT" and resid 129 and name HA ))
3.300 1.400 1.400 peak 1339 weight 0.10000E+01 volume 0.14004E-02 ppm1 0.991 ppm2 4.015 CV 1
ASSI { 1341}
( segid "PEPT" and resid 128 and name HG2%)
(( segid "PEPT" and resid 125 and name HA ))
3.900 1.900 1.900 peak 1341 weight 0.10000E+01 volume 0.14193E-02 ppm1 0.990 ppm2 3.447 CV 1
ASSI { 1342}
( segid "PEPT" and resid 128 and name HG2%)
(( segid "PEPT" and resid 129 and name HB1 ))
4.300 2.300 1.700 peak 1342 weight 0.10000E+01 volume 0.14130E-02 ppm1 0.992 ppm2 3.218 CV 1
ASSI { 1344}
( segid "PEPT" and resid 128 and name HG2%)
(( segid "PEPT" and resid 131 and name HB2 ))
3.500 1.600 1.600 peak 1344 weight 0.10000E+01 volume 0.21716E-02 ppm1 0.988 ppm2 1.930 CV 1
OR { 1344}
( segid "PEPT" and resid 128 and name HG2%)
(( segid "PEPT" and resid 131 and name HB1 ))
ASSI { 1345}
( segid "PEPT" and resid 128 and name HG2%)
(( segid "PEPT" and resid 128 and name HB ))
2.200 0.600 0.600 peak 1345 weight 0.10000E+01 volume 0.46938E-02 ppm1 0.988 ppm2 1.668 CV 1
ASSI { 1347}
( segid "PEPT" and resid 128 and name HG2%)
( segid "PEPT" and resid 128 and name HD1%)
2.200 0.600 1.600 peak 1347 weight 0.10000E+01 volume 0.67470E-02 ppm1 0.990 ppm2 0.713 CV 1
ASSI { 1360}
( segid "PEPT" and resid 39 and name HG2%)
(( segid "PEPT" and resid 11 and name HA2 ))
3.100 1.200 1.200 peak 1360 weight 0.10000E+01 volume 0.15509E-02 ppm1 0.572 ppm2 4.626 CV 1
ASSI { 1363}
( segid "PEPT" and resid 39 and name HG2%)
(( segid "PEPT" and resid 39 and name HG11))
2.700 0.900 2.900 peak 1363 weight 0.10000E+01 volume 0.26381E-02 ppm1 0.575 ppm2 1.159 CV 1
ASSI { 1493}
( segid "PEPT" and resid 133 and name HB% )
(( segid "PEPT" and resid 138 and name HA ))
3.800 1.800 2.200 peak 1493 weight 0.10000E+01 volume 0.13657E-02 ppm1 0.877 ppm2 5.322 CV 1
ASSI { 1495}
( segid "PEPT" and resid 133 and name HB% )
(( segid "PEPT" and resid 132 and name HN ))
4.200 2.200 1.800 peak 1495 weight 0.10000E+01 volume 0.17416E-02 ppm1 0.872 ppm2 8.422 CV 1
ASSI { 1497}
( segid "PEPT" and resid 133 and name HB% )
(( segid "PEPT" and resid 135 and name HN ))
4.200 2.200 1.800 peak 1497 weight 0.10000E+01 volume 0.13250E-02 ppm1 0.875 ppm2 7.689 CV 1
ASSI { 1503}
( segid "PEPT" and resid 133 and name HB% )
(( segid "PEPT" and resid 130 and name HG1 ))
3.200 1.200 1.200 peak 1503 weight 0.10000E+01 volume 0.29728E-02 ppm1 0.872 ppm2 1.575 CV 1
OR { 1503}
( segid "PEPT" and resid 133 and name HB% )
(( segid "PEPT" and resid 130 and name HG2 ))
ASSI { 1507}
( segid "PEPT" and resid 90 and name HG2%)
(( segid "PEPT" and resid 90 and name HG1 ))
2.900 1.000 1.000 peak 1507 weight 0.10000E+01 volume 0.24500E-02 ppm1 -0.026 ppm2 5.821 CV 1
ASSI { 1511}
( segid "PEPT" and resid 90 and name HG2%)
(( segid "PEPT" and resid 89 and name HA ))
3.500 3.500 3.500 peak 1511 weight 0.10000E+01 volume 0.29744E-02 ppm1 -0.030 ppm2 4.769 CV 1
ASSI { 1559}
( segid "PEPT" and resid 9 and name HD1%)
(( segid "PEPT" and resid 9 and name HB ))
3.200 1.300 1.300 peak 1559 weight 0.10000E+01 volume 0.48888E-02 ppm1 0.844 ppm2 2.098 CV 1
ASSI { 1561}
( segid "PEPT" and resid 9 and name HD1%)
(( segid "PEPT" and resid 9 and name HG11))
2.200 0.600 0.600 peak 1561 weight 0.10000E+01 volume 0.59702E-02 ppm1 0.840 ppm2 1.382 CV 1
ASSI { 1598}
( segid "PEPT" and resid 39 and name HD1%)
(( segid "PEPT" and resid 39 and name HA ))
4.400 2.400 1.600 peak 1598 weight 0.10000E+01 volume 0.11741E-02 ppm1 0.295 ppm2 5.008 CV 1
ASSI { 1601}
( segid "PEPT" and resid 39 and name HD1%)
(( segid "PEPT" and resid 13 and name HE1 ))
3.500 3.500 2.500 peak 1601 weight 0.10000E+01 volume 0.31265E-03 ppm1 0.301 ppm2 10.322 CV 1
ASSI { 1602}
( segid "PEPT" and resid 39 and name HD1%)
(( segid "PEPT" and resid 40 and name HN ))
4.600 2.700 1.400 peak 1602 weight 0.10000E+01 volume 0.81137E-03 ppm1 0.304 ppm2 8.709 CV 1
ASSI { 1604}
( segid "PEPT" and resid 39 and name HD1%)
(( segid "PEPT" and resid 39 and name HB ))
2.600 0.800 0.800 peak 1604 weight 0.10000E+01 volume 0.40193E-02 ppm1 0.300 ppm2 1.513 CV 1
ASSI { 1606}
( segid "PEPT" and resid 39 and name HD1%)
(( segid "PEPT" and resid 39 and name HG12))
2.100 0.600 0.600 peak 1606 weight 0.10000E+01 volume 0.51734E-02 ppm1 0.301 ppm2 0.759 CV 1
ASSI { 1624}
( segid "PEPT" and resid 98 and name HD1%)
(( segid "PEPT" and resid 88 and name HN ))
4.300 2.300 1.700 peak 1624 weight 0.10000E+01 volume 0.12369E-02 ppm1 0.643 ppm2 8.993 CV 1
ASSI { 1625}
( segid "PEPT" and resid 98 and name HD1%)
(( segid "PEPT" and resid 87 and name HN ))
4.300 2.300 1.700 peak 1625 weight 0.10000E+01 volume 0.38578E-03 ppm1 0.647 ppm2 8.764 CV 1
ASSI { 1629}
( segid "PEPT" and resid 98 and name HD1%)
(( segid "PEPT" and resid 98 and name HG11))
2.400 0.700 0.700 peak 1629 weight 0.10000E+01 volume 0.44498E-02 ppm1 0.651 ppm2 1.484 CV 1
ASSI { 1630}
( segid "PEPT" and resid 98 and name HD1%)
(( segid "PEPT" and resid 98 and name HG12))
2.800 1.000 1.000 peak 1630 weight 0.10000E+01 volume 0.19855E-02 ppm1 0.644 ppm2 1.319 CV 1
ASSI { 1631}
( segid "PEPT" and resid 98 and name HD1%)
( segid "PEPT" and resid 98 and name HG2%)
3.400 1.500 1.500 peak 1631 weight 0.10000E+01 volume 0.37284E-02 ppm1 0.644 ppm2 0.927 CV 1
ASSI { 1637}
( segid "PEPT" and resid 98 and name HD1%)
(( segid "PEPT" and resid 87 and name HB ))
2.900 2.900 3.100 peak 1637 weight 0.10000E+01 volume 0.40161E-03 ppm1 0.641 ppm2 2.286 CV 1
ASSI { 1638}
( segid "PEPT" and resid 98 and name HD1%)
(( segid "PEPT" and resid 98 and name HB ))
2.600 0.900 0.900 peak 1638 weight 0.10000E+01 volume 0.30610E-02 ppm1 0.641 ppm2 1.998 CV 1
ASSI { 1677}
( segid "PEPT" and resid 128 and name HD1%)
(( segid "PEPT" and resid 129 and name HN ))
2.600 2.600 3.400 peak 1677 weight 0.10000E+01 volume 0.91394E-03 ppm1 0.690 ppm2 8.230 CV 1
ASSI { 1680}
( segid "PEPT" and resid 128 and name HD1%)
(( segid "PEPT" and resid 128 and name HN ))
3.400 1.500 1.500 peak 1680 weight 0.10000E+01 volume 0.26577E-02 ppm1 0.683 ppm2 7.617 CV 1
ASSI { 1887}
(( segid "PEPT" and resid 15 and name HB ))
(( segid "PEPT" and resid 15 and name HA ))
2.200 0.600 0.600 peak 1887 weight 0.10000E+01 volume 0.49798E-02 ppm1 1.956 ppm2 4.038 CV 1
ASSI { 1889}
(( segid "PEPT" and resid 15 and name HB ))
(( segid "PEPT" and resid 15 and name HN ))
3.500 1.500 1.500 peak 1889 weight 0.10000E+01 volume 0.59248E-03 ppm1 1.959 ppm2 8.969 CV 1
ASSI { 1893}
(( segid "PEPT" and resid 16 and name HB ))
(( segid "PEPT" and resid 16 and name HA ))
3.100 1.200 1.200 peak 1893 weight 0.10000E+01 volume 0.17364E-02 ppm1 2.460 ppm2 4.630 CV 1
ASSI { 1896}
( segid "PEPT" and resid 42 and name HD2%)
(( segid "PEPT" and resid 42 and name HA ))
2.800 1.000 1.000 peak 1896 weight 0.10000E+01 volume 0.62287E-02 ppm1 0.807 ppm2 4.617 CV 1
OR { 1896}
( segid "PEPT" and resid 42 and name HD1%)
(( segid "PEPT" and resid 42 and name HA ))
ASSI { 1897}
( segid "PEPT" and resid 42 and name HD1%)
(( segid "PEPT" and resid 42 and name HB2 ))
2.600 0.900 0.900 peak 1897 weight 0.10000E+01 volume 0.79353E-02 ppm1 0.806 ppm2 1.427 CV 1
OR { 1897}
( segid "PEPT" and resid 42 and name HD2%)
(( segid "PEPT" and resid 42 and name HB2 ))
ASSI { 1898}
( segid "PEPT" and resid 42 and name HD1%)
(( segid "PEPT" and resid 42 and name HB1 ))
2.800 1.000 1.000 peak 1898 weight 0.10000E+01 volume 0.49978E-02 ppm1 0.810 ppm2 1.659 CV 1
OR { 1898}
( segid "PEPT" and resid 42 and name HD2%)
(( segid "PEPT" and resid 42 and name HB1 ))
ASSI { 1899}
( segid "PEPT" and resid 42 and name HD2%)
(( segid "PEPT" and resid 42 and name HG ))
2.600 0.800 0.800 peak 1899 weight 0.10000E+01 volume 0.34860E-02 ppm1 0.807 ppm2 1.525 CV 1
OR { 1899}
( segid "PEPT" and resid 42 and name HD1%)
(( segid "PEPT" and resid 42 and name HG ))
ASSI { 1901}
( segid "PEPT" and resid 49 and name HG1%)
(( segid "PEPT" and resid 49 and name HB ))
2.200 0.600 0.600 peak 1901 weight 0.10000E+01 volume 0.45616E-02 ppm1 -0.131 ppm2 1.631 CV 1
ASSI { 1903}
( segid "PEPT" and resid 49 and name HG1%)
(( segid "PEPT" and resid 49 and name HN ))
2.900 1.100 1.100 peak 1903 weight 0.10000E+01 volume 0.15052E-02 ppm1 -0.131 ppm2 8.910 CV 1
ASSI { 1905}
( segid "PEPT" and resid 49 and name HG2%)
(( segid "PEPT" and resid 49 and name HB ))
2.200 0.600 0.600 peak 1905 weight 0.10000E+01 volume 0.45246E-02 ppm1 0.533 ppm2 1.653 CV 1
ASSI { 1906}
( segid "PEPT" and resid 49 and name HG2%)
( segid "PEPT" and resid 49 and name HG1%)
2.100 0.500 0.500 peak 1906 weight 0.10000E+01 volume 0.11242E-01 ppm1 0.527 ppm2 -0.153 CV 1
ASSI { 1910}
(( segid "PEPT" and resid 87 and name HB ))
( segid "PEPT" and resid 87 and name HG2%)
2.700 0.900 0.900 peak 1910 weight 0.10000E+01 volume 0.22607E-02 ppm1 2.298 ppm2 0.822 CV 1
ASSI { 1912}
(( segid "PEPT" and resid 97 and name HB ))
(( segid "PEPT" and resid 97 and name HA ))
3.900 1.900 1.900 peak 1912 weight 0.10000E+01 volume 0.25411E-03 ppm1 2.169 ppm2 5.036 CV 1
ASSI { 1913}
(( segid "PEPT" and resid 97 and name HB ))
( segid "PEPT" and resid 97 and name HG1%)
2.300 0.700 0.700 peak 1913 weight 0.10000E+01 volume 0.39139E-02 ppm1 2.169 ppm2 1.208 CV 1
ASSI { 1914}
(( segid "PEPT" and resid 97 and name HB ))
( segid "PEPT" and resid 97 and name HG2%)
2.700 0.900 0.900 peak 1914 weight 0.10000E+01 volume 0.21934E-02 ppm1 2.169 ppm2 1.308 CV 1
ASSI { 1917}
(( segid "PEPT" and resid 154 and name HB ))
( segid "PEPT" and resid 154 and name HG2%)
2.500 0.800 0.800 peak 1917 weight 0.10000E+01 volume 0.40912E-02 ppm1 1.992 ppm2 0.677 CV 1
OR { 1917}
(( segid "PEPT" and resid 154 and name HB ))
( segid "PEPT" and resid 154 and name HG1%)
ASSI { 1920}
(( segid "PEPT" and resid 154 and name HB ))
(( segid "PEPT" and resid 154 and name HN ))
3.700 1.800 1.800 peak 1920 weight 0.10000E+01 volume 0.47975E-03 ppm1 1.992 ppm2 6.935 CV 1
ASSI { 1953}
( segid "PEPT" and resid 64 and name HG2%)
(( segid "PEPT" and resid 64 and name HN ))
5.900 4.400 0.100 peak 1953 weight 0.10000E+01 volume 0.13801E-03 ppm1 0.596 ppm2 8.977 CV 1
ASSI { 1961}
( segid "PEPT" and resid 121 and name HG2%)
(( segid "PEPT" and resid 116 and name HA ))
5.400 3.700 0.600 peak 1961 weight 0.10000E+01 volume 0.80442E-04 ppm1 1.101 ppm2 5.845 CV 1
ASSI { 1962}
( segid "PEPT" and resid 16 and name HG2%)
(( segid "PEPT" and resid 15 and name HN ))
4.300 2.300 1.700 peak 1962 weight 0.10000E+01 volume 0.26166E-03 ppm1 1.025 ppm2 8.952 CV 1
ASSI { 1963}
( segid "PEPT" and resid 16 and name HG2%)
(( segid "PEPT" and resid 35 and name HN ))
3.400 1.500 2.600 peak 1963 weight 0.10000E+01 volume 0.16268E-03 ppm1 1.029 ppm2 7.397 CV 1
ASSI { 1964}
( segid "PEPT" and resid 75 and name HG1%)
(( segid "PEPT" and resid 70 and name HB2 ))
3.900 1.900 1.900 peak 1964 weight 0.10000E+01 volume 0.42263E-03 ppm1 0.943 ppm2 3.908 CV 1
ASSI { 1969}
( segid "PEPT" and resid 65 and name HG2%)
(( segid "PEPT" and resid 67 and name HA ))
3.800 1.800 1.800 peak 1969 weight 0.10000E+01 volume 0.11222E-02 ppm1 1.131 ppm2 5.505 CV 1
ASSI { 1970}
( segid "PEPT" and resid 65 and name HG2%)
(( segid "PEPT" and resid 67 and name HE2 ))
4.900 3.000 1.100 peak 1970 weight 0.10000E+01 volume 0.13263E-03 ppm1 1.132 ppm2 3.065 CV 1
OR { 1970}
( segid "PEPT" and resid 65 and name HG2%)
(( segid "PEPT" and resid 67 and name HE1 ))
ASSI { 1971}
( segid "PEPT" and resid 144 and name HB% )
(( segid "PEPT" and resid 17 and name HA ))
4.100 2.100 1.900 peak 1971 weight 0.10000E+01 volume 0.92896E-03 ppm1 1.292 ppm2 5.249 CV 1
ASSI { 1981}
( segid "PEPT" and resid 49 and name HG1%)
( segid "PEPT" and resid 39 and name HD1%)
4.600 2.600 2.400 peak 1981 weight 0.10000E+01 volume 0.65168E-03 ppm1 -0.134 ppm2 0.274 CV 1
ASSI { 1994}
( segid "PEPT" and resid 88 and name HD1%)
(( segid "PEPT" and resid 99 and name HN ))
5.100 3.200 0.900 peak 1994 weight 0.10000E+01 volume 0.11999E-03 ppm1 0.637 ppm2 9.536 CV 1
OR { 1994}
( segid "PEPT" and resid 88 and name HD2%)
(( segid "PEPT" and resid 99 and name HN ))
ASSI { 1996}
( segid "PEPT" and resid 88 and name HD1%)
(( segid "PEPT" and resid 98 and name HB ))
4.000 2.000 2.000 peak 1996 weight 0.10000E+01 volume 0.15116E-02 ppm1 0.645 ppm2 1.964 CV 1
OR { 1996}
( segid "PEPT" and resid 88 and name HD2%)
(( segid "PEPT" and resid 98 and name HB ))
ASSI { 1998}
( segid "PEPT" and resid 53 and name HG1%)
(( segid "PEPT" and resid 36 and name HN ))
5.000 3.200 1.000 peak 1998 weight 0.10000E+01 volume 0.14885E-03 ppm1 0.420 ppm2 8.905 CV 1
ASSI { 2013}
( segid "PEPT" and resid 81 and name HB% )
(( segid "PEPT" and resid 83 and name HN ))
4.700 2.800 1.300 peak 2013 weight 0.10000E+01 volume 0.90252E-03 ppm1 1.370 ppm2 7.142 CV 1
ASSI { 2032}
( segid "PEPT" and resid 98 and name HG2%)
(( segid "PEPT" and resid 88 and name HN ))
5.900 4.400 0.100 peak 2032 weight 0.10000E+01 volume 0.78425E-04 ppm1 0.949 ppm2 9.002 CV 1
ASSI { 2036}
( segid "PEPT" and resid 125 and name HB% )
(( segid "PEPT" and resid 116 and name HA ))
4.800 2.800 1.200 peak 2036 weight 0.10000E+01 volume 0.90460E-04 ppm1 1.155 ppm2 5.807 CV 1
ASSI { 2038}
( segid "PEPT" and resid 124 and name HB% )
(( segid "PEPT" and resid 123 and name HB1 ))
4.700 2.800 1.300 peak 2038 weight 0.10000E+01 volume 0.29254E-03 ppm1 1.307 ppm2 2.345 CV 1
ASSI { 2052}
( segid "PEPT" and resid 90 and name HG2%)
( segid "PEPT" and resid 96 and name HB% )
3.600 1.600 2.400 peak 2052 weight 0.10000E+01 volume 0.25726E-02 ppm1 -0.026 ppm2 0.985 CV 1
ASSI { 2053}
( segid "PEPT" and resid 90 and name HG2%)
(( segid "PEPT" and resid 93 and name HG1 ))
3.800 1.800 1.800 peak 2053 weight 0.10000E+01 volume 0.68651E-03 ppm1 -0.024 ppm2 1.414 CV 1
OR { 2053}
( segid "PEPT" and resid 90 and name HG2%)
(( segid "PEPT" and resid 93 and name HG2 ))
ASSI { 2076}
( segid "PEPT" and resid 128 and name HD1%)
(( segid "PEPT" and resid 124 and name HN ))
3.700 1.700 1.700 peak 2076 weight 0.10000E+01 volume 0.10736E-03 ppm1 0.689 ppm2 8.013 CV 1
ASSI { 2078}
( segid "PEPT" and resid 128 and name HD1%)
(( segid "PEPT" and resid 131 and name HE1 ))
3.000 1.100 1.100 peak 2078 weight 0.10000E+01 volume 0.33702E-03 ppm1 0.671 ppm2 2.943 CV 1
OR { 2078}
( segid "PEPT" and resid 128 and name HD1%)
(( segid "PEPT" and resid 131 and name HE2 ))
ASSI { 2108}
( segid "PEPT" and resid 52 and name HB% )
(( segid "PEPT" and resid 63 and name HN ))
6.000 4.500 0.000 peak 2108 weight 0.10000E+01 volume 0.16096E-03 ppm1 0.911 ppm2 8.396 CV 1
ASSI { 2113}
( segid "PEPT" and resid 101 and name HG2%)
(( segid "PEPT" and resid 109 and name HN ))
4.300 2.300 1.700 peak 2113 weight 0.10000E+01 volume 0.29777E-03 ppm1 1.102 ppm2 9.197 CV 1
ASSI { 2125}
( segid "PEPT" and resid 157 and name HG1%)
(( segid "PEPT" and resid 156 and name HA ))
5.000 3.100 1.000 peak 2125 weight 0.10000E+01 volume 0.32573E-03 ppm1 0.812 ppm2 4.199 CV 1
ASSI { 2130}
( segid "PEPT" and resid 124 and name HB% )
(( segid "PEPT" and resid 125 and name HA ))
3.900 1.900 1.900 peak 2130 weight 0.10000E+01 volume 0.10180E-02 ppm1 1.284 ppm2 3.447 CV 1
ASSI { 2131}
( segid "PEPT" and resid 39 and name HG2%)
(( segid "PEPT" and resid 39 and name HB ))
2.200 0.600 0.600 peak 2131 weight 0.10000E+01 volume 0.39576E-02 ppm1 0.578 ppm2 1.516 CV 1
ASSI { 2139}
( segid "PEPT" and resid 98 and name HG2%)
(( segid "PEPT" and resid 87 and name HA ))
4.100 2.100 1.900 peak 2139 weight 0.10000E+01 volume 0.64353E-03 ppm1 0.942 ppm2 4.227 CV 1
ASSI { 2141}
( segid "PEPT" and resid 98 and name HG2%)
(( segid "PEPT" and resid 13 and name HE3 ))
3.500 1.500 1.500 peak 2141 weight 0.10000E+01 volume 0.66888E-03 ppm1 0.941 ppm2 6.727 CV 1
ASSI { 2145}
(( segid "PEPT" and resid 8 and name HB1 ))
(( segid "PEPT" and resid 9 and name HN ))
5.500 3.800 0.500 peak 2145 weight 0.10000E+01 volume 0.19954E-03 ppm1 2.125 ppm2 7.464 CV 1
ASSI { 2147}
(( segid "PEPT" and resid 130 and name HB2 ))
(( segid "PEPT" and resid 128 and name HN ))
4.600 2.700 1.400 peak 2147 weight 0.10000E+01 volume 0.70393E-03 ppm1 1.971 ppm2 7.654 CV 1
ASSI { 2148}
(( segid "PEPT" and resid 123 and name HB1 ))
(( segid "PEPT" and resid 124 and name HN ))
3.800 1.800 1.800 peak 2148 weight 0.10000E+01 volume 0.26772E-03 ppm1 2.370 ppm2 7.979 CV 1
ASSI { 2154}
(( segid "PEPT" and resid 67 and name HD2 ))
(( segid "PEPT" and resid 67 and name HN ))
4.800 2.900 1.200 peak 2154 weight 0.10000E+01 volume 0.20155E-03 ppm1 1.800 ppm2 8.887 CV 1
OR { 2154}
(( segid "PEPT" and resid 67 and name HD1 ))
(( segid "PEPT" and resid 67 and name HN ))
ASSI { 2186}
( segid "PEPT" and resid 100 and name HB% )
( segid "PEPT" and resid 99 and name HD% )
5.800 4.200 1.200 peak 2186 weight 0.10000E+01 volume 0.16799E-03 ppm1 1.512 ppm2 7.168 CV 1
ASSI { 2187}
(( segid "PEPT" and resid 48 and name HG1 ))
(( segid "PEPT" and resid 40 and name HN ))
4.700 2.700 1.300 peak 2187 weight 0.10000E+01 volume 0.15318E-03 ppm1 1.499 ppm2 8.722 CV 1
OR { 2187}
(( segid "PEPT" and resid 48 and name HG2 ))
(( segid "PEPT" and resid 40 and name HN ))
ASSI { 2188}
( segid "PEPT" and resid 100 and name HB% )
(( segid "PEPT" and resid 112 and name HN ))
5.600 3.900 1.400 peak 2188 weight 0.10000E+01 volume 0.19221E-03 ppm1 1.511 ppm2 9.151 CV 1
ASSI { 2189}
( segid "PEPT" and resid 100 and name HB% )
(( segid "PEPT" and resid 102 and name HN ))
5.100 3.200 0.900 peak 2189 weight 0.10000E+01 volume 0.25553E-03 ppm1 1.503 ppm2 9.015 CV 1
ASSI { 2196}
(( segid "PEPT" and resid 131 and name HG1 ))
(( segid "PEPT" and resid 132 and name HN ))
4.600 2.600 1.400 peak 2196 weight 0.10000E+01 volume 0.22339E-03 ppm1 1.436 ppm2 8.436 CV 1
OR { 2196}
(( segid "PEPT" and resid 131 and name HG2 ))
(( segid "PEPT" and resid 132 and name HN ))
ASSI { 2221}
(( segid "PEPT" and resid 79 and name HB2 ))
( segid "PEPT" and resid 77 and name HD% )
4.900 3.000 1.100 peak 2221 weight 0.10000E+01 volume 0.93076E-04 ppm1 2.166 ppm2 7.011 CV 1
OR { 2221}
(( segid "PEPT" and resid 79 and name HB1 ))
( segid "PEPT" and resid 77 and name HD% )
ASSI { 2230}
(( segid "PEPT" and resid 117 and name HB1 ))
(( segid "PEPT" and resid 117 and name HE ))
5.600 4.000 0.400 peak 2230 weight 0.10000E+01 volume 0.21987E-03 ppm1 1.338 ppm2 6.353 CV 1
ASSI { 2231}
(( segid "PEPT" and resid 117 and name HB2 ))
(( segid "PEPT" and resid 116 and name HA ))
4.500 2.500 1.500 peak 2231 weight 0.10000E+01 volume 0.22443E-03 ppm1 1.898 ppm2 5.825 CV 1
ASSI { 2232}
(( segid "PEPT" and resid 117 and name HB2 ))
(( segid "PEPT" and resid 95 and name HA ))
4.200 2.200 1.800 peak 2232 weight 0.10000E+01 volume 0.20626E-03 ppm1 1.876 ppm2 6.164 CV 1
ASSI { 2233}
(( segid "PEPT" and resid 117 and name HB2 ))
(( segid "PEPT" and resid 117 and name HE ))
4.600 2.700 1.400 peak 2233 weight 0.10000E+01 volume 0.35817E-03 ppm1 1.876 ppm2 6.364 CV 1
ASSI { 2234}
(( segid "PEPT" and resid 117 and name HB1 ))
(( segid "PEPT" and resid 116 and name HA ))
6.000 4.600 0.000 peak 2234 weight 0.10000E+01 volume 0.97487E-04 ppm1 1.352 ppm2 5.803 CV 1
ASSI { 2250}
( segid "PEPT" and resid 19 and name HB% )
(( segid "PEPT" and resid 21 and name HD21))
5.800 4.100 1.200 peak 2250 weight 0.10000E+01 volume 0.89338E-04 ppm1 0.758 ppm2 7.676 CV 1
ASSI { 2257}
( segid "PEPT" and resid 10 and name HB% )
(( segid "PEPT" and resid 8 and name HN ))
3.900 1.900 1.900 peak 2257 weight 0.10000E+01 volume 0.68630E-04 ppm1 1.659 ppm2 7.968 CV 1
ASSI { 2260}
( segid "PEPT" and resid 10 and name HB% )
(( segid "PEPT" and resid 9 and name HB ))
4.900 3.000 1.100 peak 2260 weight 0.10000E+01 volume 0.30510E-03 ppm1 1.661 ppm2 2.129 CV 1
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