NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
|
|
7096 |
1jzu   |
4664 | cing | recoord | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 3}
(( segid "PEPT" and resid 139 and name HB ))
(( segid "PEPT" and resid 138 and name HN ))
3.000 3.000 3.000 peak 3 weight 0.10000E+01 volume 0.40059E-03 ppm1 4.688 ppm2 8.020 CV 1
ASSI { 16}
(( segid "PEPT" and resid 65 and name HB ))
(( segid "PEPT" and resid 65 and name HA ))
3.000 1.100 1.100 peak 16 weight 0.10000E+01 volume 0.19984E-02 ppm1 3.989 ppm2 5.213 CV 1
ASSI { 17}
(( segid "PEPT" and resid 65 and name HB ))
( segid "PEPT" and resid 65 and name HG2%)
2.100 0.600 0.600 peak 17 weight 0.10000E+01 volume 0.10122E-01 ppm1 3.991 ppm2 1.134 CV 1
ASSI { 18}
(( segid "PEPT" and resid 65 and name HB ))
(( segid "PEPT" and resid 50 and name HA ))
3.500 3.500 2.500 peak 18 weight 0.10000E+01 volume 0.19609E-02 ppm1 3.985 ppm2 4.819 CV 1
ASSI { 21}
(( segid "PEPT" and resid 69 and name HB ))
(( segid "PEPT" and resid 69 and name HN ))
3.900 1.900 1.900 peak 21 weight 0.10000E+01 volume 0.10738E-02 ppm1 4.538 ppm2 8.721 CV 1
ASSI { 22}
(( segid "PEPT" and resid 69 and name HB ))
( segid "PEPT" and resid 69 and name HG2%)
3.200 1.300 1.300 peak 22 weight 0.10000E+01 volume 0.12611E-02 ppm1 4.532 ppm2 1.235 CV 1
ASSI { 23}
(( segid "PEPT" and resid 69 and name HB ))
(( segid "PEPT" and resid 70 and name HN ))
3.100 1.200 1.200 peak 23 weight 0.10000E+01 volume 0.33316E-02 ppm1 4.520 ppm2 8.327 CV 1
ASSI { 30}
(( segid "PEPT" and resid 108 and name HB ))
(( segid "PEPT" and resid 108 and name HN ))
2.500 0.800 0.800 peak 30 weight 0.10000E+01 volume 0.68443E-02 ppm1 3.942 ppm2 8.629 CV 1
ASSI { 31}
(( segid "PEPT" and resid 108 and name HB ))
(( segid "PEPT" and resid 109 and name HA ))
2.600 2.600 3.400 peak 31 weight 0.10000E+01 volume 0.10829E-01 ppm1 3.935 ppm2 4.739 CV 1
ASSI { 32}
(( segid "PEPT" and resid 108 and name HB ))
( segid "PEPT" and resid 108 and name HG2%)
2.200 0.600 0.600 peak 32 weight 0.10000E+01 volume 0.11351E-01 ppm1 3.934 ppm2 0.878 CV 1
ASSI { 39}
(( segid "PEPT" and resid 90 and name HB ))
(( segid "PEPT" and resid 92 and name HN ))
3.000 1.100 1.100 peak 39 weight 0.10000E+01 volume 0.20403E-02 ppm1 3.915 ppm2 9.383 CV 1
ASSI { 41}
(( segid "PEPT" and resid 90 and name HB ))
(( segid "PEPT" and resid 90 and name HG1 ))
2.900 1.000 1.000 peak 41 weight 0.10000E+01 volume 0.21885E-02 ppm1 3.917 ppm2 5.848 CV 1
ASSI { 42}
(( segid "PEPT" and resid 90 and name HB ))
( segid "PEPT" and resid 90 and name HG2%)
2.300 0.600 0.600 peak 42 weight 0.10000E+01 volume 0.55855E-02 ppm1 3.917 ppm2 -0.028 CV 1
ASSI { 49}
(( segid "PEPT" and resid 94 and name HB2 ))
(( segid "PEPT" and resid 94 and name HB1 ))
1.800 0.400 0.400 peak 49 weight 0.10000E+01 volume 0.56056E-02 ppm1 4.259 ppm2 3.884 CV 1
ASSI { 54}
(( segid "PEPT" and resid 90 and name HB ))
(( segid "PEPT" and resid 89 and name HA ))
2.800 2.800 3.200 peak 54 weight 0.10000E+01 volume 0.95646E-02 ppm1 3.897 ppm2 4.798 CV 1
ASSI { 56}
(( segid "PEPT" and resid 94 and name HB2 ))
(( segid "PEPT" and resid 94 and name HA ))
2.500 0.800 0.800 peak 56 weight 0.10000E+01 volume 0.49837E-02 ppm1 4.262 ppm2 4.835 CV 1
ASSI { 79}
(( segid "PEPT" and resid 116 and name HB1 ))
(( segid "PEPT" and resid 116 and name HA ))
2.700 0.900 0.900 peak 79 weight 0.10000E+01 volume 0.21517E-02 ppm1 3.692 ppm2 5.823 CV 1
ASSI { 82}
(( segid "PEPT" and resid 116 and name HB1 ))
(( segid "PEPT" and resid 116 and name HB2 ))
2.100 0.500 0.500 peak 82 weight 0.10000E+01 volume 0.25859E-02 ppm1 3.665 ppm2 3.997 CV 1
ASSI { 84}
(( segid "PEPT" and resid 116 and name HB1 ))
( segid "PEPT" and resid 121 and name HG2%)
2.500 0.800 2.800 peak 84 weight 0.10000E+01 volume 0.35694E-02 ppm1 3.671 ppm2 1.094 CV 1
ASSI { 99}
(( segid "PEPT" and resid 40 and name HB1 ))
(( segid "PEPT" and resid 39 and name HG11))
4.200 2.200 1.800 peak 99 weight 0.10000E+01 volume 0.13551E-02 ppm1 3.770 ppm2 0.806 CV 1
ASSI { 108}
(( segid "PEPT" and resid 40 and name HB1 ))
(( segid "PEPT" and resid 40 and name HA ))
2.300 0.700 0.700 peak 108 weight 0.10000E+01 volume 0.62079E-02 ppm1 3.769 ppm2 4.667 CV 1
ASSI { 109}
(( segid "PEPT" and resid 40 and name HB1 ))
(( segid "PEPT" and resid 41 and name HN ))
3.000 1.100 1.100 peak 109 weight 0.10000E+01 volume 0.47069E-02 ppm1 3.761 ppm2 9.033 CV 1
ASSI { 111}
(( segid "PEPT" and resid 40 and name HB2 ))
(( segid "PEPT" and resid 40 and name HN ))
2.700 0.900 0.900 peak 111 weight 0.10000E+01 volume 0.23758E-02 ppm1 3.662 ppm2 8.745 CV 1
ASSI { 112}
(( segid "PEPT" and resid 40 and name HB2 ))
(( segid "PEPT" and resid 41 and name HN ))
3.000 1.100 1.100 peak 112 weight 0.10000E+01 volume 0.49050E-02 ppm1 3.651 ppm2 9.035 CV 1
ASSI { 113}
(( segid "PEPT" and resid 40 and name HB2 ))
(( segid "PEPT" and resid 40 and name HA ))
2.900 1.100 1.100 peak 113 weight 0.10000E+01 volume 0.34727E-02 ppm1 3.654 ppm2 4.662 CV 1
ASSI { 115}
(( segid "PEPT" and resid 40 and name HB1 ))
(( segid "PEPT" and resid 39 and name HG12))
4.300 2.400 1.700 peak 115 weight 0.10000E+01 volume 0.12010E-02 ppm1 3.799 ppm2 1.185 CV 1
ASSI { 116}
(( segid "PEPT" and resid 40 and name HB1 ))
(( segid "PEPT" and resid 40 and name HN ))
3.000 1.200 1.200 peak 116 weight 0.10000E+01 volume 0.17350E-02 ppm1 3.772 ppm2 8.719 CV 1
ASSI { 118}
(( segid "PEPT" and resid 123 and name HA ))
(( segid "PEPT" and resid 127 and name HN ))
2.700 2.700 3.300 peak 118 weight 0.10000E+01 volume 0.30592E-02 ppm1 4.374 ppm2 7.879 CV 1
ASSI { 119}
(( segid "PEPT" and resid 123 and name HA ))
(( segid "PEPT" and resid 122 and name HA ))
3.500 1.500 1.500 peak 119 weight 0.10000E+01 volume 0.25931E-02 ppm1 4.371 ppm2 4.749 CV 1
ASSI { 124}
(( segid "PEPT" and resid 118 and name HB2 ))
(( segid "PEPT" and resid 120 and name HN ))
3.600 1.600 1.600 peak 124 weight 0.10000E+01 volume 0.10586E-02 ppm1 3.952 ppm2 7.399 CV 1
ASSI { 125}
(( segid "PEPT" and resid 118 and name HB2 ))
(( segid "PEPT" and resid 118 and name HA ))
2.600 0.900 0.900 peak 125 weight 0.10000E+01 volume 0.54385E-02 ppm1 3.961 ppm2 4.991 CV 1
ASSI { 127}
(( segid "PEPT" and resid 128 and name HA ))
(( segid "PEPT" and resid 128 and name HN ))
2.400 0.700 0.700 peak 127 weight 0.10000E+01 volume 0.35348E-02 ppm1 3.744 ppm2 7.630 CV 1
ASSI { 134}
(( segid "PEPT" and resid 128 and name HA ))
(( segid "PEPT" and resid 131 and name HN ))
2.700 0.900 0.900 peak 134 weight 0.10000E+01 volume 0.20376E-02 ppm1 3.743 ppm2 7.965 CV 1
ASSI { 135}
(( segid "PEPT" and resid 128 and name HA ))
( segid "PEPT" and resid 128 and name HG2%)
2.600 0.800 0.800 peak 135 weight 0.10000E+01 volume 0.37591E-02 ppm1 3.743 ppm2 1.030 CV 1
ASSI { 136}
(( segid "PEPT" and resid 128 and name HA ))
( segid "PEPT" and resid 128 and name HD1%)
3.600 1.600 1.600 peak 136 weight 0.10000E+01 volume 0.36907E-02 ppm1 3.746 ppm2 0.703 CV 1
ASSI { 137}
(( segid "PEPT" and resid 128 and name HA ))
(( segid "PEPT" and resid 130 and name HB1 ))
3.600 1.600 2.400 peak 137 weight 0.10000E+01 volume 0.30029E-02 ppm1 3.739 ppm2 1.976 CV 1
ASSI { 138}
(( segid "PEPT" and resid 128 and name HA ))
(( segid "PEPT" and resid 128 and name HG11))
2.500 0.800 0.800 peak 138 weight 0.10000E+01 volume 0.22469E-02 ppm1 3.736 ppm2 1.637 CV 1
ASSI { 142}
(( segid "PEPT" and resid 50 and name HB1 ))
(( segid "PEPT" and resid 51 and name HN ))
4.500 2.500 1.500 peak 142 weight 0.10000E+01 volume 0.88721E-03 ppm1 3.921 ppm2 8.984 CV 1
ASSI { 143}
(( segid "PEPT" and resid 50 and name HB1 ))
(( segid "PEPT" and resid 50 and name HB2 ))
1.700 0.300 0.500 peak 143 weight 0.10000E+01 volume 0.97039E-02 ppm1 3.893 ppm2 3.470 CV 1
ASSI { 154}
(( segid "PEPT" and resid 50 and name HB2 ))
(( segid "PEPT" and resid 50 and name HN ))
3.300 1.400 1.400 peak 154 weight 0.10000E+01 volume 0.30410E-02 ppm1 3.498 ppm2 8.354 CV 1
ASSI { 155}
(( segid "PEPT" and resid 50 and name HB2 ))
(( segid "PEPT" and resid 50 and name HA ))
2.300 0.700 0.700 peak 155 weight 0.10000E+01 volume 0.57188E-02 ppm1 3.496 ppm2 4.812 CV 1
ASSI { 164}
(( segid "PEPT" and resid 122 and name HB2 ))
(( segid "PEPT" and resid 122 and name HN ))
2.900 1.000 1.000 peak 164 weight 0.10000E+01 volume 0.39125E-02 ppm1 4.275 ppm2 8.664 CV 1
ASSI { 166}
(( segid "PEPT" and resid 122 and name HB2 ))
(( segid "PEPT" and resid 122 and name HA ))
2.200 0.600 0.600 peak 166 weight 0.10000E+01 volume 0.55563E-02 ppm1 4.274 ppm2 4.756 CV 1
ASSI { 167}
(( segid "PEPT" and resid 122 and name HB2 ))
(( segid "PEPT" and resid 122 and name HB1 ))
1.900 0.400 0.400 peak 167 weight 0.10000E+01 volume 0.42351E-02 ppm1 4.278 ppm2 3.957 CV 1
ASSI { 168}
(( segid "PEPT" and resid 122 and name HB2 ))
( segid "PEPT" and resid 125 and name HB% )
3.600 1.700 1.700 peak 168 weight 0.10000E+01 volume 0.29369E-02 ppm1 4.275 ppm2 1.180 CV 1
ASSI { 169}
(( segid "PEPT" and resid 70 and name HB1 ))
(( segid "PEPT" and resid 70 and name HN ))
3.000 1.100 1.100 peak 169 weight 0.10000E+01 volume 0.22307E-02 ppm1 4.029 ppm2 8.320 CV 1
ASSI { 172}
(( segid "PEPT" and resid 122 and name HB1 ))
(( segid "PEPT" and resid 122 and name HA ))
2.400 0.700 0.700 peak 172 weight 0.10000E+01 volume 0.84004E-02 ppm1 3.959 ppm2 4.771 CV 1
ASSI { 174}
(( segid "PEPT" and resid 122 and name HB1 ))
(( segid "PEPT" and resid 122 and name HN ))
2.200 0.600 0.600 peak 174 weight 0.10000E+01 volume 0.53948E-02 ppm1 3.955 ppm2 8.658 CV 1
ASSI { 176}
(( segid "PEPT" and resid 70 and name HB2 ))
(( segid "PEPT" and resid 71 and name HN ))
4.000 2.000 2.000 peak 176 weight 0.10000E+01 volume 0.41769E-03 ppm1 3.890 ppm2 7.946 CV 1
ASSI { 178}
(( segid "PEPT" and resid 70 and name HB1 ))
(( segid "PEPT" and resid 70 and name HA ))
2.600 0.900 0.900 peak 178 weight 0.10000E+01 volume 0.56952E-02 ppm1 4.037 ppm2 4.426 CV 1
ASSI { 180}
(( segid "PEPT" and resid 157 and name HA ))
(( segid "PEPT" and resid 157 and name HB ))
2.600 0.900 0.900 peak 180 weight 0.10000E+01 volume 0.37429E-02 ppm1 3.959 ppm2 2.019 CV 1
ASSI { 181}
(( segid "PEPT" and resid 157 and name HA ))
( segid "PEPT" and resid 157 and name HG1%)
3.300 1.400 1.400 peak 181 weight 0.10000E+01 volume 0.22330E-02 ppm1 3.960 ppm2 0.818 CV 1
OR { 181}
(( segid "PEPT" and resid 157 and name HA ))
( segid "PEPT" and resid 157 and name HG2%)
ASSI { 182}
(( segid "PEPT" and resid 70 and name HB2 ))
(( segid "PEPT" and resid 70 and name HA ))
2.100 0.600 0.600 peak 182 weight 0.10000E+01 volume 0.81782E-02 ppm1 3.865 ppm2 4.425 CV 1
ASSI { 183}
(( segid "PEPT" and resid 70 and name HB2 ))
(( segid "PEPT" and resid 70 and name HN ))
3.100 1.200 1.200 peak 183 weight 0.10000E+01 volume 0.20120E-02 ppm1 3.852 ppm2 8.349 CV 1
ASSI { 184}
(( segid "PEPT" and resid 20 and name HB2 ))
(( segid "PEPT" and resid 111 and name HB1 ))
3.300 1.300 1.300 peak 184 weight 0.10000E+01 volume 0.32909E-02 ppm1 3.622 ppm2 1.891 CV 1
OR { 184}
(( segid "PEPT" and resid 20 and name HB2 ))
(( segid "PEPT" and resid 111 and name HB2 ))
OR { 184}
(( segid "PEPT" and resid 20 and name HB1 ))
(( segid "PEPT" and resid 111 and name HB1 ))
OR { 184}
(( segid "PEPT" and resid 20 and name HB1 ))
(( segid "PEPT" and resid 111 and name HB2 ))
ASSI { 186}
(( segid "PEPT" and resid 108 and name HA ))
(( segid "PEPT" and resid 107 and name HG2 ))
3.500 1.500 1.500 peak 186 weight 0.10000E+01 volume 0.19056E-02 ppm1 4.458 ppm2 1.568 CV 1
ASSI { 187}
(( segid "PEPT" and resid 108 and name HA ))
( segid "PEPT" and resid 108 and name HG2%)
2.600 0.900 0.900 peak 187 weight 0.10000E+01 volume 0.74395E-02 ppm1 4.461 ppm2 0.877 CV 1
ASSI { 188}
(( segid "PEPT" and resid 4 and name HA ))
(( segid "PEPT" and resid 4 and name HG1 ))
2.700 0.900 0.900 peak 188 weight 0.10000E+01 volume 0.62174E-02 ppm1 4.225 ppm2 1.688 CV 1
ASSI { 189}
(( segid "PEPT" and resid 4 and name HA ))
(( segid "PEPT" and resid 5 and name HN ))
2.800 1.000 1.000 peak 189 weight 0.10000E+01 volume 0.19321E-02 ppm1 4.203 ppm2 8.106 CV 1
ASSI { 191}
(( segid "PEPT" and resid 4 and name HA ))
(( segid "PEPT" and resid 5 and name HB1 ))
4.700 2.800 1.300 peak 191 weight 0.10000E+01 volume 0.14634E-02 ppm1 4.204 ppm2 2.612 CV 1
ASSI { 197}
(( segid "PEPT" and resid 7 and name HB1 ))
(( segid "PEPT" and resid 7 and name HN ))
2.900 1.000 1.000 peak 197 weight 0.10000E+01 volume 0.39209E-02 ppm1 3.931 ppm2 8.392 CV 1
OR { 197}
(( segid "PEPT" and resid 7 and name HB2 ))
(( segid "PEPT" and resid 7 and name HN ))
ASSI { 199}
(( segid "PEPT" and resid 97 and name HA ))
(( segid "PEPT" and resid 112 and name HB1 ))
4.000 2.000 2.000 peak 199 weight 0.10000E+01 volume 0.94275E-03 ppm1 5.044 ppm2 2.106 CV 1
OR { 199}
(( segid "PEPT" and resid 97 and name HA ))
(( segid "PEPT" and resid 112 and name HB2 ))
ASSI { 202}
(( segid "PEPT" and resid 9 and name HA ))
(( segid "PEPT" and resid 9 and name HG12))
3.900 1.900 1.900 peak 202 weight 0.10000E+01 volume 0.13238E-02 ppm1 4.356 ppm2 1.400 CV 1
ASSI { 203}
(( segid "PEPT" and resid 9 and name HA ))
(( segid "PEPT" and resid 13 and name HD1 ))
2.800 2.800 3.200 peak 203 weight 0.10000E+01 volume 0.46741E-02 ppm1 4.348 ppm2 7.150 CV 1
ASSI { 208}
(( segid "PEPT" and resid 97 and name HA ))
( segid "PEPT" and resid 98 and name HG2%)
3.700 1.800 4.800 peak 208 weight 0.10000E+01 volume 0.14322E-02 ppm1 5.043 ppm2 0.928 CV 1
ASSI { 209}
(( segid "PEPT" and resid 97 and name HA ))
( segid "PEPT" and resid 97 and name HG2%)
2.300 0.700 1.700 peak 209 weight 0.10000E+01 volume 0.62844E-02 ppm1 5.020 ppm2 1.246 CV 1
ASSI { 210}
(( segid "PEPT" and resid 147 and name HA ))
(( segid "PEPT" and resid 147 and name HD1 ))
3.300 1.400 1.400 peak 210 weight 0.10000E+01 volume 0.23310E-02 ppm1 4.581 ppm2 4.068 CV 1
OR { 210}
(( segid "PEPT" and resid 147 and name HA ))
(( segid "PEPT" and resid 147 and name HD2 ))
ASSI { 214}
(( segid "PEPT" and resid 9 and name HA ))
(( segid "PEPT" and resid 9 and name HB ))
2.800 1.000 1.000 peak 214 weight 0.10000E+01 volume 0.27274E-02 ppm1 4.340 ppm2 2.137 CV 1
ASSI { 218}
(( segid "PEPT" and resid 129 and name HA ))
(( segid "PEPT" and resid 129 and name HB2 ))
2.600 0.800 0.800 peak 218 weight 0.10000E+01 volume 0.20993E-02 ppm1 4.021 ppm2 3.245 CV 1
OR { 218}
(( segid "PEPT" and resid 129 and name HA ))
(( segid "PEPT" and resid 129 and name HB1 ))
ASSI { 221}
(( segid "PEPT" and resid 97 and name HA ))
(( segid "PEPT" and resid 115 and name HN ))
2.900 1.100 1.100 peak 221 weight 0.10000E+01 volume 0.23936E-02 ppm1 5.008 ppm2 9.629 CV 1
ASSI { 223}
(( segid "PEPT" and resid 64 and name HA ))
( segid "PEPT" and resid 64 and name HG2%)
3.100 1.200 1.200 peak 223 weight 0.10000E+01 volume 0.22176E-02 ppm1 4.528 ppm2 0.577 CV 1
ASSI { 226}
(( segid "PEPT" and resid 87 and name HA ))
(( segid "PEPT" and resid 98 and name HG12))
6.000 5.100 0.000 peak 226 weight 0.10000E+01 volume 0.91447E-04 ppm1 4.245 ppm2 1.494 CV 1
ASSI { 229}
(( segid "PEPT" and resid 129 and name HA ))
( segid "PEPT" and resid 133 and name HB% )
4.200 2.200 1.800 peak 229 weight 0.10000E+01 volume 0.47746E-03 ppm1 4.043 ppm2 0.906 CV 1
ASSI { 232}
(( segid "PEPT" and resid 64 and name HA ))
(( segid "PEPT" and resid 64 and name HB ))
3.900 1.900 1.900 peak 232 weight 0.10000E+01 volume 0.54283E-03 ppm1 4.538 ppm2 3.897 CV 1
ASSI { 233}
(( segid "PEPT" and resid 22 and name HA ))
(( segid "PEPT" and resid 23 and name HA ))
3.300 1.400 1.400 peak 233 weight 0.10000E+01 volume 0.32972E-02 ppm1 4.413 ppm2 4.744 CV 1
ASSI { 235}
(( segid "PEPT" and resid 15 and name HA ))
(( segid "PEPT" and resid 16 and name HN ))
2.700 0.900 0.900 peak 235 weight 0.10000E+01 volume 0.11670E-02 ppm1 4.039 ppm2 8.430 CV 1
ASSI { 241}
(( segid "PEPT" and resid 15 and name HA ))
( segid "PEPT" and resid 15 and name HG2%)
2.600 0.800 0.800 peak 241 weight 0.10000E+01 volume 0.47869E-02 ppm1 4.035 ppm2 0.551 CV 1
OR { 241}
(( segid "PEPT" and resid 15 and name HA ))
( segid "PEPT" and resid 15 and name HG1%)
ASSI { 244}
(( segid "PEPT" and resid 15 and name HA ))
( segid "PEPT" and resid 35 and name HB% )
5.100 3.200 0.900 peak 244 weight 0.10000E+01 volume 0.41057E-03 ppm1 4.000 ppm2 1.852 CV 1
ASSI { 252}
(( segid "PEPT" and resid 65 and name HA ))
(( segid "PEPT" and resid 51 and name HN ))
3.300 1.400 1.400 peak 252 weight 0.10000E+01 volume 0.13860E-02 ppm1 5.210 ppm2 8.966 CV 1
ASSI { 253}
(( segid "PEPT" and resid 65 and name HA ))
(( segid "PEPT" and resid 48 and name HD1 ))
5.000 3.100 1.000 peak 253 weight 0.10000E+01 volume 0.18941E-03 ppm1 5.186 ppm2 1.496 CV 1
OR { 253}
(( segid "PEPT" and resid 65 and name HA ))
(( segid "PEPT" and resid 48 and name HD2 ))
OR { 253}
(( segid "PEPT" and resid 65 and name HA ))
(( segid "PEPT" and resid 48 and name HG1 ))
ASSI { 257}
(( segid "PEPT" and resid 75 and name HA ))
( segid "PEPT" and resid 75 and name HG2%)
2.600 0.800 0.800 peak 257 weight 0.10000E+01 volume 0.46677E-02 ppm1 4.990 ppm2 0.908 CV 1
ASSI { 258}
(( segid "PEPT" and resid 7 and name HA ))
(( segid "PEPT" and resid 7 and name HN ))
2.800 1.000 1.000 peak 258 weight 0.10000E+01 volume 0.27254E-02 ppm1 4.178 ppm2 8.410 CV 1
ASSI { 260}
(( segid "PEPT" and resid 7 and name HA ))
(( segid "PEPT" and resid 7 and name HB1 ))
2.200 0.600 0.600 peak 260 weight 0.10000E+01 volume 0.96355E-02 ppm1 4.173 ppm2 3.935 CV 1
OR { 260}
(( segid "PEPT" and resid 7 and name HA ))
(( segid "PEPT" and resid 7 and name HB2 ))
ASSI { 273}
(( segid "PEPT" and resid 101 and name HA ))
(( segid "PEPT" and resid 102 and name HN ))
2.400 0.700 0.700 peak 273 weight 0.10000E+01 volume 0.39040E-02 ppm1 5.389 ppm2 8.967 CV 1
ASSI { 279}
(( segid "PEPT" and resid 92 and name HA ))
(( segid "PEPT" and resid 92 and name HB1 ))
2.300 0.700 0.700 peak 279 weight 0.10000E+01 volume 0.70640E-02 ppm1 3.515 ppm2 3.204 CV 1
OR { 279}
(( segid "PEPT" and resid 92 and name HA ))
(( segid "PEPT" and resid 92 and name HB2 ))
ASSI { 280}
(( segid "PEPT" and resid 121 and name HA ))
(( segid "PEPT" and resid 122 and name HA ))
3.600 1.700 1.700 peak 280 weight 0.10000E+01 volume 0.21475E-02 ppm1 4.126 ppm2 4.791 CV 1
ASSI { 281}
(( segid "PEPT" and resid 154 and name HA ))
(( segid "PEPT" and resid 154 and name HB ))
2.200 0.600 0.600 peak 281 weight 0.10000E+01 volume 0.85911E-02 ppm1 4.115 ppm2 1.972 CV 1
ASSI { 282}
(( segid "PEPT" and resid 154 and name HA ))
( segid "PEPT" and resid 154 and name HG2%)
2.100 0.600 0.600 peak 282 weight 0.10000E+01 volume 0.12533E-01 ppm1 4.119 ppm2 0.709 CV 1
OR { 282}
(( segid "PEPT" and resid 154 and name HA ))
( segid "PEPT" and resid 154 and name HG1%)
ASSI { 283}
(( segid "PEPT" and resid 49 and name HA ))
(( segid "PEPT" and resid 49 and name HB ))
4.300 2.300 1.700 peak 283 weight 0.10000E+01 volume 0.90432E-04 ppm1 4.525 ppm2 1.659 CV 1
ASSI { 286}
(( segid "PEPT" and resid 121 and name HA ))
( segid "PEPT" and resid 121 and name HG2%)
2.500 0.800 0.800 peak 286 weight 0.10000E+01 volume 0.79240E-02 ppm1 4.147 ppm2 1.109 CV 1
ASSI { 288}
(( segid "PEPT" and resid 121 and name HA ))
(( segid "PEPT" and resid 121 and name HN ))
2.800 1.000 1.000 peak 288 weight 0.10000E+01 volume 0.21298E-02 ppm1 4.138 ppm2 7.884 CV 1
ASSI { 291}
(( segid "PEPT" and resid 90 and name HA ))
(( segid "PEPT" and resid 90 and name HG1 ))
3.200 1.300 1.300 peak 291 weight 0.10000E+01 volume 0.16481E-02 ppm1 3.823 ppm2 5.850 CV 1
ASSI { 293}
(( segid "PEPT" and resid 49 and name HA ))
( segid "PEPT" and resid 49 and name HG1%)
2.800 1.000 1.000 peak 293 weight 0.10000E+01 volume 0.11986E-02 ppm1 4.526 ppm2 0.519 CV 1
ASSI { 297}
(( segid "PEPT" and resid 121 and name HA ))
(( segid "PEPT" and resid 116 and name HB1 ))
4.900 3.000 1.100 peak 297 weight 0.10000E+01 volume 0.10059E-03 ppm1 4.151 ppm2 3.654 CV 1
ASSI { 298}
(( segid "PEPT" and resid 90 and name HA ))
(( segid "PEPT" and resid 92 and name HN ))
3.600 1.600 1.600 peak 298 weight 0.10000E+01 volume 0.19779E-02 ppm1 3.816 ppm2 9.397 CV 1
ASSI { 300}
(( segid "PEPT" and resid 90 and name HA ))
( segid "PEPT" and resid 96 and name HB% )
3.100 1.200 1.200 peak 300 weight 0.10000E+01 volume 0.16067E-02 ppm1 3.816 ppm2 0.996 CV 1
ASSI { 301}
(( segid "PEPT" and resid 90 and name HA ))
( segid "PEPT" and resid 90 and name HG2%)
2.700 0.900 0.900 peak 301 weight 0.10000E+01 volume 0.20907E-02 ppm1 3.823 ppm2 -0.030 CV 1
ASSI { 304}
(( segid "PEPT" and resid 139 and name HA ))
(( segid "PEPT" and resid 140 and name HB2 ))
4.500 2.600 1.500 peak 304 weight 0.10000E+01 volume 0.12084E-02 ppm1 4.441 ppm2 2.688 CV 1
OR { 304}
(( segid "PEPT" and resid 139 and name HA ))
(( segid "PEPT" and resid 140 and name HB1 ))
ASSI { 306}
(( segid "PEPT" and resid 139 and name HA ))
(( segid "PEPT" and resid 139 and name HB ))
2.200 0.600 0.600 peak 306 weight 0.10000E+01 volume 0.10849E-01 ppm1 4.427 ppm2 4.728 CV 1
ASSI { 310}
(( segid "PEPT" and resid 90 and name HA ))
( segid "PEPT" and resid 92 and name HD% )
3.900 1.900 1.900 peak 310 weight 0.10000E+01 volume 0.18982E-02 ppm1 3.832 ppm2 6.732 CV 1
ASSI { 317}
(( segid "PEPT" and resid 130 and name HA ))
(( segid "PEPT" and resid 130 and name HG1 ))
2.800 1.000 1.000 peak 317 weight 0.10000E+01 volume 0.36247E-02 ppm1 3.565 ppm2 1.555 CV 1
OR { 317}
(( segid "PEPT" and resid 130 and name HA ))
(( segid "PEPT" and resid 130 and name HG2 ))
ASSI { 318}
(( segid "PEPT" and resid 130 and name HA ))
( segid "PEPT" and resid 133 and name HB% )
2.700 0.900 0.900 peak 318 weight 0.10000E+01 volume 0.38998E-02 ppm1 3.566 ppm2 0.878 CV 1
ASSI { 320}
(( segid "PEPT" and resid 130 and name HA ))
(( segid "PEPT" and resid 131 and name HN ))
4.400 2.400 1.600 peak 320 weight 0.10000E+01 volume 0.21583E-03 ppm1 3.563 ppm2 8.029 CV 1
ASSI { 322}
(( segid "PEPT" and resid 130 and name HA ))
(( segid "PEPT" and resid 129 and name HB1 ))
3.300 1.400 2.400 peak 322 weight 0.10000E+01 volume 0.26628E-02 ppm1 3.561 ppm2 3.217 CV 1
ASSI { 323}
(( segid "PEPT" and resid 130 and name HA ))
(( segid "PEPT" and resid 131 and name HB2 ))
3.100 3.100 2.900 peak 323 weight 0.10000E+01 volume 0.66377E-02 ppm1 3.563 ppm2 1.881 CV 1
OR { 323}
(( segid "PEPT" and resid 130 and name HA ))
(( segid "PEPT" and resid 131 and name HB1 ))
ASSI { 344}
(( segid "PEPT" and resid 80 and name HA ))
( segid "PEPT" and resid 81 and name HB% )
4.300 2.300 1.700 peak 344 weight 0.10000E+01 volume 0.76645E-03 ppm1 3.982 ppm2 1.393 CV 1
ASSI { 348}
(( segid "PEPT" and resid 44 and name HA ))
(( segid "PEPT" and resid 44 and name HN ))
2.900 1.000 1.000 peak 348 weight 0.10000E+01 volume 0.29000E-02 ppm1 4.139 ppm2 8.885 CV 1
ASSI { 349}
(( segid "PEPT" and resid 44 and name HA ))
(( segid "PEPT" and resid 45 and name HN ))
2.600 0.800 0.800 peak 349 weight 0.10000E+01 volume 0.50595E-02 ppm1 4.138 ppm2 8.472 CV 1
ASSI { 355}
(( segid "PEPT" and resid 79 and name HA ))
(( segid "PEPT" and resid 78 and name HA ))
4.100 2.100 1.900 peak 355 weight 0.10000E+01 volume 0.12471E-02 ppm1 3.960 ppm2 4.794 CV 1
ASSI { 357}
(( segid "PEPT" and resid 44 and name HA ))
(( segid "PEPT" and resid 44 and name HG2 ))
2.700 0.900 0.900 peak 357 weight 0.10000E+01 volume 0.70548E-02 ppm1 4.141 ppm2 2.302 CV 1
OR { 357}
(( segid "PEPT" and resid 44 and name HA ))
(( segid "PEPT" and resid 44 and name HG1 ))
ASSI { 360}
(( segid "PEPT" and resid 135 and name HA ))
(( segid "PEPT" and resid 136 and name HB2 ))
5.800 4.100 0.200 peak 360 weight 0.10000E+01 volume 0.18908E-03 ppm1 4.060 ppm2 1.377 CV 1
OR { 360}
(( segid "PEPT" and resid 135 and name HA ))
(( segid "PEPT" and resid 136 and name HB1 ))
ASSI { 363}
(( segid "PEPT" and resid 79 and name HA ))
( segid "PEPT" and resid 77 and name HD% )
5.500 3.800 1.500 peak 363 weight 0.10000E+01 volume 0.87128E-04 ppm1 3.983 ppm2 7.017 CV 1
ASSI { 364}
(( segid "PEPT" and resid 79 and name HA ))
(( segid "PEPT" and resid 79 and name HN ))
2.900 1.100 1.100 peak 364 weight 0.10000E+01 volume 0.22027E-02 ppm1 3.965 ppm2 8.665 CV 1
ASSI { 370}
(( segid "PEPT" and resid 151 and name HA ))
(( segid "PEPT" and resid 152 and name HN ))
4.000 2.000 2.000 peak 370 weight 0.10000E+01 volume 0.12787E-02 ppm1 4.272 ppm2 9.575 CV 1
ASSI { 371}
(( segid "PEPT" and resid 141 and name HA ))
(( segid "PEPT" and resid 142 and name HN ))
2.600 0.900 0.900 peak 371 weight 0.10000E+01 volume 0.43652E-02 ppm1 4.284 ppm2 7.939 CV 1
ASSI { 373}
(( segid "PEPT" and resid 27 and name HA ))
(( segid "PEPT" and resid 27 and name HN ))
2.500 0.800 0.800 peak 373 weight 0.10000E+01 volume 0.55531E-02 ppm1 4.127 ppm2 7.683 CV 1
ASSI { 374}
(( segid "PEPT" and resid 6 and name HA ))
(( segid "PEPT" and resid 6 and name HD2 ))
4.400 2.400 1.600 peak 374 weight 0.10000E+01 volume 0.15222E-02 ppm1 4.115 ppm2 3.172 CV 1
OR { 374}
(( segid "PEPT" and resid 6 and name HA ))
(( segid "PEPT" and resid 6 and name HD1 ))
ASSI { 378}
(( segid "PEPT" and resid 135 and name HA ))
(( segid "PEPT" and resid 135 and name HB2 ))
1.800 0.400 0.400 peak 378 weight 0.10000E+01 volume 0.43306E-01 ppm1 4.053 ppm2 2.050 CV 1
OR { 378}
(( segid "PEPT" and resid 135 and name HA ))
(( segid "PEPT" and resid 135 and name HB1 ))
ASSI { 379}
(( segid "PEPT" and resid 135 and name HA ))
(( segid "PEPT" and resid 135 and name HG1 ))
3.300 1.400 1.400 peak 379 weight 0.10000E+01 volume 0.42182E-02 ppm1 4.047 ppm2 2.465 CV 1
ASSI { 390}
(( segid "PEPT" and resid 70 and name HA ))
(( segid "PEPT" and resid 69 and name HA ))
4.000 2.000 2.000 peak 390 weight 0.10000E+01 volume 0.98795E-03 ppm1 4.433 ppm2 4.736 CV 1
ASSI { 391}
(( segid "PEPT" and resid 151 and name HA ))
(( segid "PEPT" and resid 150 and name HN ))
3.200 3.200 2.800 peak 391 weight 0.10000E+01 volume 0.50595E-02 ppm1 4.268 ppm2 8.539 CV 1
ASSI { 394}
(( segid "PEPT" and resid 140 and name HA ))
(( segid "PEPT" and resid 140 and name HB1 ))
2.300 0.600 0.600 peak 394 weight 0.10000E+01 volume 0.16054E-01 ppm1 4.274 ppm2 2.692 CV 1
OR { 394}
(( segid "PEPT" and resid 140 and name HA ))
(( segid "PEPT" and resid 140 and name HB2 ))
ASSI { 407}
(( segid "PEPT" and resid 14 and name HA ))
(( segid "PEPT" and resid 14 and name HB2 ))
3.500 1.500 1.500 peak 407 weight 0.10000E+01 volume 0.10656E-02 ppm1 5.023 ppm2 2.910 CV 1
ASSI { 415}
(( segid "PEPT" and resid 8 and name HA ))
(( segid "PEPT" and resid 9 and name HN ))
2.800 1.000 1.000 peak 415 weight 0.10000E+01 volume 0.34907E-02 ppm1 4.352 ppm2 7.465 CV 1
ASSI { 416}
(( segid "PEPT" and resid 8 and name HA ))
(( segid "PEPT" and resid 8 and name HN ))
2.800 1.000 1.000 peak 416 weight 0.10000E+01 volume 0.32547E-02 ppm1 4.342 ppm2 7.994 CV 1
ASSI { 417}
(( segid "PEPT" and resid 8 and name HA ))
(( segid "PEPT" and resid 8 and name HB1 ))
2.000 0.500 0.500 peak 417 weight 0.10000E+01 volume 0.26966E-01 ppm1 4.345 ppm2 2.312 CV 1
OR { 417}
(( segid "PEPT" and resid 8 and name HA ))
(( segid "PEPT" and resid 8 and name HG2 ))
ASSI { 418}
(( segid "PEPT" and resid 8 and name HA ))
(( segid "PEPT" and resid 93 and name HB1 ))
4.000 2.000 2.000 peak 418 weight 0.10000E+01 volume 0.66910E-03 ppm1 4.340 ppm2 1.725 CV 1
OR { 418}
(( segid "PEPT" and resid 8 and name HA ))
(( segid "PEPT" and resid 93 and name HB2 ))
OR { 418}
(( segid "PEPT" and resid 8 and name HA ))
(( segid "PEPT" and resid 93 and name HD1 ))
OR { 418}
(( segid "PEPT" and resid 8 and name HA ))
(( segid "PEPT" and resid 93 and name HD2 ))
ASSI { 419}
(( segid "PEPT" and resid 148 and name HA ))
(( segid "PEPT" and resid 147 and name HA ))
5.200 3.400 0.800 peak 419 weight 0.10000E+01 volume 0.28907E-03 ppm1 4.247 ppm2 4.607 CV 1
ASSI { 422}
(( segid "PEPT" and resid 132 and name HA ))
( segid "PEPT" and resid 132 and name HD1%)
4.500 2.500 1.500 peak 422 weight 0.10000E+01 volume 0.11719E-02 ppm1 3.926 ppm2 0.848 CV 1
OR { 422}
(( segid "PEPT" and resid 132 and name HA ))
( segid "PEPT" and resid 132 and name HD2%)
ASSI { 431}
(( segid "PEPT" and resid 148 and name HA ))
(( segid "PEPT" and resid 148 and name HB1 ))
2.200 0.600 0.600 peak 431 weight 0.10000E+01 volume 0.89243E-02 ppm1 4.260 ppm2 1.793 CV 1
OR { 431}
(( segid "PEPT" and resid 148 and name HA ))
(( segid "PEPT" and resid 148 and name HB2 ))
ASSI { 432}
(( segid "PEPT" and resid 148 and name HA ))
(( segid "PEPT" and resid 148 and name HD1 ))
5.000 3.100 1.000 peak 432 weight 0.10000E+01 volume 0.51074E-03 ppm1 4.251 ppm2 3.065 CV 1
OR { 432}
(( segid "PEPT" and resid 148 and name HA ))
(( segid "PEPT" and resid 148 and name HD2 ))
ASSI { 436}
(( segid "PEPT" and resid 117 and name HA ))
(( segid "PEPT" and resid 117 and name HB1 ))
2.200 0.600 0.600 peak 436 weight 0.10000E+01 volume 0.60439E-02 ppm1 3.694 ppm2 1.386 CV 1
ASSI { 441}
(( segid "PEPT" and resid 77 and name HA ))
( segid "PEPT" and resid 77 and name HD% )
3.200 1.300 1.300 peak 441 weight 0.10000E+01 volume 0.23108E-02 ppm1 5.868 ppm2 7.027 CV 1
ASSI { 445}
(( segid "PEPT" and resid 32 and name HA ))
(( segid "PEPT" and resid 33 and name HN ))
3.100 1.200 1.200 peak 445 weight 0.10000E+01 volume 0.16004E-02 ppm1 4.504 ppm2 8.528 CV 1
ASSI { 446}
(( segid "PEPT" and resid 32 and name HA ))
(( segid "PEPT" and resid 32 and name HB1 ))
3.200 1.300 1.300 peak 446 weight 0.10000E+01 volume 0.14415E-02 ppm1 4.493 ppm2 2.115 CV 1
OR { 446}
(( segid "PEPT" and resid 32 and name HA ))
(( segid "PEPT" and resid 32 and name HB2 ))
ASSI { 453}
(( segid "PEPT" and resid 99 and name HA ))
(( segid "PEPT" and resid 99 and name HN ))
2.600 0.800 0.800 peak 453 weight 0.10000E+01 volume 0.22469E-02 ppm1 5.274 ppm2 9.553 CV 1
ASSI { 454}
(( segid "PEPT" and resid 76 and name HA ))
(( segid "PEPT" and resid 77 and name HN ))
2.500 0.800 0.800 peak 454 weight 0.10000E+01 volume 0.34097E-02 ppm1 5.233 ppm2 9.461 CV 1
ASSI { 457}
(( segid "PEPT" and resid 138 and name HA ))
( segid "PEPT" and resid 138 and name HD% )
2.600 0.900 0.900 peak 457 weight 0.10000E+01 volume 0.35412E-02 ppm1 5.301 ppm2 7.112 CV 1
ASSI { 461}
(( segid "PEPT" and resid 138 and name HA ))
(( segid "PEPT" and resid 137 and name HD21))
2.600 2.600 3.400 peak 461 weight 0.10000E+01 volume 0.99423E-03 ppm1 5.276 ppm2 6.732 CV 1
ASSI { 462}
(( segid "PEPT" and resid 76 and name HA ))
( segid "PEPT" and resid 76 and name HD% )
3.000 1.100 1.100 peak 462 weight 0.10000E+01 volume 0.17621E-02 ppm1 5.228 ppm2 6.637 CV 1
ASSI { 465}
(( segid "PEPT" and resid 138 and name HA ))
(( segid "PEPT" and resid 138 and name HB1 ))
2.600 0.800 0.800 peak 465 weight 0.10000E+01 volume 0.36854E-02 ppm1 5.318 ppm2 2.597 CV 1
ASSI { 469}
(( segid "PEPT" and resid 30 and name HA ))
(( segid "PEPT" and resid 30 and name HB2 ))
2.100 0.600 0.600 peak 469 weight 0.10000E+01 volume 0.18423E-01 ppm1 4.387 ppm2 2.656 CV 1
ASSI { 472}
(( segid "PEPT" and resid 20 and name HA ))
(( segid "PEPT" and resid 143 and name HN ))
4.200 2.200 1.800 peak 472 weight 0.10000E+01 volume 0.82413E-03 ppm1 3.866 ppm2 7.114 CV 1
ASSI { 476}
(( segid "PEPT" and resid 20 and name HA ))
(( segid "PEPT" and resid 111 and name HB1 ))
3.000 3.000 3.000 peak 476 weight 0.10000E+01 volume 0.64544E-02 ppm1 3.874 ppm2 1.896 CV 1
OR { 476}
(( segid "PEPT" and resid 20 and name HA ))
(( segid "PEPT" and resid 111 and name HB2 ))
ASSI { 483}
(( segid "PEPT" and resid 31 and name HA ))
(( segid "PEPT" and resid 32 and name HN ))
2.800 1.000 1.000 peak 483 weight 0.10000E+01 volume 0.27489E-02 ppm1 4.375 ppm2 7.200 CV 1
ASSI { 490}
(( segid "PEPT" and resid 31 and name HA ))
(( segid "PEPT" and resid 33 and name HB2 ))
2.900 2.900 3.100 peak 490 weight 0.10000E+01 volume 0.51138E-02 ppm1 4.379 ppm2 1.656 CV 1
OR { 490}
(( segid "PEPT" and resid 31 and name HA ))
(( segid "PEPT" and resid 33 and name HB1 ))
ASSI { 493}
(( segid "PEPT" and resid 31 and name HA ))
(( segid "PEPT" and resid 31 and name HE1 ))
4.300 2.300 1.700 peak 493 weight 0.10000E+01 volume 0.19838E-02 ppm1 4.372 ppm2 2.974 CV 1
OR { 493}
(( segid "PEPT" and resid 31 and name HA ))
(( segid "PEPT" and resid 31 and name HE2 ))
ASSI { 494}
(( segid "PEPT" and resid 31 and name HA ))
(( segid "PEPT" and resid 31 and name HB1 ))
2.000 0.500 0.500 peak 494 weight 0.10000E+01 volume 0.16614E-01 ppm1 4.367 ppm2 1.944 CV 1
OR { 494}
(( segid "PEPT" and resid 31 and name HA ))
(( segid "PEPT" and resid 31 and name HB2 ))
ASSI { 495}
(( segid "PEPT" and resid 31 and name HA ))
(( segid "PEPT" and resid 31 and name HG2 ))
2.500 0.800 0.800 peak 495 weight 0.10000E+01 volume 0.99892E-02 ppm1 4.376 ppm2 1.384 CV 1
OR { 495}
(( segid "PEPT" and resid 31 and name HA ))
(( segid "PEPT" and resid 31 and name HG1 ))
ASSI { 496}
(( segid "PEPT" and resid 116 and name HA ))
(( segid "PEPT" and resid 116 and name HB2 ))
4.100 2.100 1.900 peak 496 weight 0.10000E+01 volume 0.48821E-03 ppm1 5.830 ppm2 4.003 CV 1
ASSI { 499}
(( segid "PEPT" and resid 28 and name HA ))
(( segid "PEPT" and resid 28 and name HN ))
3.000 1.100 1.100 peak 499 weight 0.10000E+01 volume 0.20281E-02 ppm1 4.361 ppm2 7.638 CV 1
ASSI { 503}
(( segid "PEPT" and resid 116 and name HA ))
(( segid "PEPT" and resid 95 and name HB2 ))
5.600 3.900 0.400 peak 503 weight 0.10000E+01 volume 0.10415E-03 ppm1 5.824 ppm2 3.276 CV 1
ASSI { 505}
(( segid "PEPT" and resid 46 and name HA ))
(( segid "PEPT" and resid 47 and name HN ))
2.200 0.600 0.600 peak 505 weight 0.10000E+01 volume 0.62460E-02 ppm1 5.553 ppm2 9.098 CV 1
ASSI { 507}
(( segid "PEPT" and resid 46 and name HA ))
(( segid "PEPT" and resid 46 and name HB1 ))
2.300 0.600 0.600 peak 507 weight 0.10000E+01 volume 0.74159E-02 ppm1 5.546 ppm2 2.056 CV 1
OR { 507}
(( segid "PEPT" and resid 46 and name HA ))
(( segid "PEPT" and resid 46 and name HB2 ))
ASSI { 508}
(( segid "PEPT" and resid 46 and name HA ))
(( segid "PEPT" and resid 67 and name HG1 ))
4.500 2.500 1.500 peak 508 weight 0.10000E+01 volume 0.63327E-03 ppm1 5.519 ppm2 1.666 CV 1
OR { 508}
(( segid "PEPT" and resid 46 and name HA ))
(( segid "PEPT" and resid 67 and name HG2 ))
ASSI { 509}
(( segid "PEPT" and resid 111 and name HA ))
(( segid "PEPT" and resid 110 and name HN ))
2.400 2.400 3.600 peak 509 weight 0.10000E+01 volume 0.17521E-02 ppm1 4.560 ppm2 8.476 CV 1
ASSI { 512}
(( segid "PEPT" and resid 105 and name HA ))
(( segid "PEPT" and resid 105 and name HB1 ))
2.700 0.900 0.900 peak 512 weight 0.10000E+01 volume 0.63641E-02 ppm1 4.242 ppm2 2.864 CV 1
ASSI { 513}
(( segid "PEPT" and resid 105 and name HA ))
(( segid "PEPT" and resid 105 and name HB2 ))
2.600 0.800 0.800 peak 513 weight 0.10000E+01 volume 0.34140E-02 ppm1 4.241 ppm2 2.613 CV 1
ASSI { 516}
(( segid "PEPT" and resid 111 and name HA ))
(( segid "PEPT" and resid 111 and name HN ))
2.700 0.900 0.900 peak 516 weight 0.10000E+01 volume 0.22417E-02 ppm1 4.565 ppm2 9.091 CV 1
ASSI { 517}
(( segid "PEPT" and resid 150 and name HA ))
(( segid "PEPT" and resid 149 and name HB1 ))
2.600 2.600 3.400 peak 517 weight 0.10000E+01 volume 0.21436E-01 ppm1 4.456 ppm2 2.161 CV 1
OR { 517}
(( segid "PEPT" and resid 150 and name HA ))
(( segid "PEPT" and resid 149 and name HB2 ))
ASSI { 518}
(( segid "PEPT" and resid 150 and name HA ))
(( segid "PEPT" and resid 150 and name HB1 ))
2.500 0.800 0.800 peak 518 weight 0.10000E+01 volume 0.37820E-02 ppm1 4.462 ppm2 1.731 CV 1
ASSI { 519}
(( segid "PEPT" and resid 150 and name HA ))
( segid "PEPT" and resid 153 and name HG2%)
4.100 2.100 1.900 peak 519 weight 0.10000E+01 volume 0.10610E-02 ppm1 4.463 ppm2 1.029 CV 1
ASSI { 520}
(( segid "PEPT" and resid 150 and name HA ))
(( segid "PEPT" and resid 153 and name HN ))
3.300 3.300 2.700 peak 520 weight 0.10000E+01 volume 0.28166E-02 ppm1 4.455 ppm2 8.503 CV 1
ASSI { 522}
(( segid "PEPT" and resid 127 and name HA ))
(( segid "PEPT" and resid 130 and name HN ))
4.300 2.300 1.700 peak 522 weight 0.10000E+01 volume 0.26367E-03 ppm1 4.087 ppm2 8.624 CV 1
ASSI { 523}
(( segid "PEPT" and resid 127 and name HA ))
(( segid "PEPT" and resid 130 and name HB2 ))
2.000 2.000 4.000 peak 523 weight 0.10000E+01 volume 0.47689E-02 ppm1 4.085 ppm2 1.852 CV 1
ASSI { 525}
(( segid "PEPT" and resid 127 and name HA ))
(( segid "PEPT" and resid 129 and name HB1 ))
4.100 2.100 1.900 peak 525 weight 0.10000E+01 volume 0.10018E-02 ppm1 4.079 ppm2 3.198 CV 1
ASSI { 531}
(( segid "PEPT" and resid 36 and name HA ))
(( segid "PEPT" and resid 36 and name HB1 ))
2.600 0.900 0.900 peak 531 weight 0.10000E+01 volume 0.34331E-02 ppm1 5.227 ppm2 1.953 CV 1
OR { 531}
(( segid "PEPT" and resid 36 and name HA ))
(( segid "PEPT" and resid 36 and name HB2 ))
ASSI { 534}
(( segid "PEPT" and resid 48 and name HA ))
(( segid "PEPT" and resid 48 and name HG1 ))
3.700 1.700 1.700 peak 534 weight 0.10000E+01 volume 0.11006E-02 ppm1 4.964 ppm2 1.516 CV 1
OR { 534}
(( segid "PEPT" and resid 48 and name HA ))
(( segid "PEPT" and resid 48 and name HG2 ))
OR { 534}
(( segid "PEPT" and resid 48 and name HA ))
(( segid "PEPT" and resid 48 and name HD2 ))
OR { 534}
(( segid "PEPT" and resid 48 and name HA ))
(( segid "PEPT" and resid 48 and name HD1 ))
ASSI { 537}
(( segid "PEPT" and resid 71 and name HA ))
(( segid "PEPT" and resid 71 and name HN ))
3.000 1.100 1.100 peak 537 weight 0.10000E+01 volume 0.17839E-02 ppm1 4.381 ppm2 7.933 CV 1
ASSI { 538}
(( segid "PEPT" and resid 71 and name HA ))
(( segid "PEPT" and resid 71 and name HB1 ))
2.800 1.000 1.000 peak 538 weight 0.10000E+01 volume 0.45919E-02 ppm1 4.381 ppm2 2.680 CV 1
ASSI { 540}
(( segid "PEPT" and resid 71 and name HA ))
(( segid "PEPT" and resid 71 and name HB2 ))
2.900 1.000 1.000 peak 540 weight 0.10000E+01 volume 0.27121E-02 ppm1 4.372 ppm2 2.131 CV 1
ASSI { 549}
(( segid "PEPT" and resid 36 and name HA ))
( segid "PEPT" and resid 15 and name HG1%)
4.800 2.900 1.200 peak 549 weight 0.10000E+01 volume 0.30490E-03 ppm1 5.212 ppm2 0.582 CV 1
OR { 549}
(( segid "PEPT" and resid 36 and name HA ))
( segid "PEPT" and resid 15 and name HG2%)
ASSI { 550}
(( segid "PEPT" and resid 104 and name HA ))
(( segid "PEPT" and resid 104 and name HG1 ))
3.200 1.300 1.300 peak 550 weight 0.10000E+01 volume 0.19961E-02 ppm1 4.417 ppm2 1.135 CV 1
OR { 550}
(( segid "PEPT" and resid 104 and name HA ))
(( segid "PEPT" and resid 104 and name HG2 ))
ASSI { 551}
(( segid "PEPT" and resid 104 and name HA ))
(( segid "PEPT" and resid 103 and name HA ))
3.600 1.600 1.600 peak 551 weight 0.10000E+01 volume 0.24542E-02 ppm1 4.394 ppm2 4.767 CV 1
ASSI { 557}
(( segid "PEPT" and resid 133 and name HA ))
( segid "PEPT" and resid 133 and name HB% )
2.400 0.700 0.700 peak 557 weight 0.10000E+01 volume 0.66931E-02 ppm1 3.976 ppm2 0.874 CV 1
ASSI { 561}
(( segid "PEPT" and resid 113 and name HA ))
(( segid "PEPT" and resid 114 and name HN ))
2.700 0.900 0.900 peak 561 weight 0.10000E+01 volume 0.92046E-03 ppm1 5.091 ppm2 8.018 CV 1
ASSI { 563}
(( segid "PEPT" and resid 155 and name HA ))
(( segid "PEPT" and resid 155 and name HB1 ))
2.400 0.700 0.700 peak 563 weight 0.10000E+01 volume 0.10334E-01 ppm1 4.496 ppm2 2.680 CV 1
ASSI { 565}
(( segid "PEPT" and resid 155 and name HA ))
( segid "PEPT" and resid 154 and name HG2%)
4.800 2.800 1.200 peak 565 weight 0.10000E+01 volume 0.42072E-03 ppm1 4.489 ppm2 0.692 CV 1
ASSI { 568}
(( segid "PEPT" and resid 120 and name HA ))
(( segid "PEPT" and resid 120 and name HB1 ))
2.300 0.600 0.600 peak 568 weight 0.10000E+01 volume 0.11415E-01 ppm1 4.264 ppm2 1.802 CV 1
OR { 568}
(( segid "PEPT" and resid 120 and name HA ))
(( segid "PEPT" and resid 120 and name HB2 ))
ASSI { 569}
(( segid "PEPT" and resid 120 and name HA ))
( segid "PEPT" and resid 121 and name HG2%)
4.800 2.900 1.200 peak 569 weight 0.10000E+01 volume 0.54343E-03 ppm1 4.259 ppm2 1.117 CV 1
ASSI { 570}
(( segid "PEPT" and resid 120 and name HA ))
( segid "PEPT" and resid 121 and name HG1%)
4.300 2.300 1.700 peak 570 weight 0.10000E+01 volume 0.13472E-02 ppm1 4.264 ppm2 0.767 CV 1
ASSI { 572}
(( segid "PEPT" and resid 137 and name HA ))
(( segid "PEPT" and resid 137 and name HD21))
5.500 3.800 0.500 peak 572 weight 0.10000E+01 volume 0.97120E-04 ppm1 4.135 ppm2 6.710 CV 1
ASSI { 573}
(( segid "PEPT" and resid 137 and name HA ))
(( segid "PEPT" and resid 137 and name HB2 ))
2.800 1.000 1.000 peak 573 weight 0.10000E+01 volume 0.42245E-02 ppm1 4.139 ppm2 2.837 CV 1
ASSI { 574}
(( segid "PEPT" and resid 136 and name HA ))
(( segid "PEPT" and resid 136 and name HG2 ))
2.700 0.900 0.900 peak 574 weight 0.10000E+01 volume 0.34088E-02 ppm1 4.120 ppm2 1.929 CV 1
OR { 574}
(( segid "PEPT" and resid 136 and name HA ))
(( segid "PEPT" and resid 136 and name HG1 ))
ASSI { 575}
(( segid "PEPT" and resid 124 and name HA ))
( segid "PEPT" and resid 124 and name HB% )
1.600 0.300 0.600 peak 575 weight 0.10000E+01 volume 0.52090E-01 ppm1 4.081 ppm2 1.316 CV 1
ASSI { 577}
(( segid "PEPT" and resid 67 and name HA ))
(( segid "PEPT" and resid 67 and name HB2 ))
2.200 0.600 0.600 peak 577 weight 0.10000E+01 volume 0.66927E-02 ppm1 5.496 ppm2 1.926 CV 1
ASSI { 580}
(( segid "PEPT" and resid 38 and name HA ))
(( segid "PEPT" and resid 50 and name HB2 ))
4.000 2.000 2.000 peak 580 weight 0.10000E+01 volume 0.40101E-02 ppm1 5.123 ppm2 3.501 CV 1
ASSI { 582}
(( segid "PEPT" and resid 113 and name HA ))
(( segid "PEPT" and resid 113 and name HG1 ))
2.500 0.800 0.800 peak 582 weight 0.10000E+01 volume 0.52735E-02 ppm1 5.090 ppm2 1.276 CV 1
OR { 582}
(( segid "PEPT" and resid 113 and name HA ))
(( segid "PEPT" and resid 113 and name HG2 ))
ASSI { 585}
(( segid "PEPT" and resid 125 and name HA ))
(( segid "PEPT" and resid 126 and name HN ))
5.400 3.700 0.600 peak 585 weight 0.10000E+01 volume 0.94155E-04 ppm1 3.445 ppm2 7.842 CV 1
ASSI { 587}
(( segid "PEPT" and resid 125 and name HA ))
(( segid "PEPT" and resid 128 and name HB ))
2.300 0.700 0.700 peak 587 weight 0.10000E+01 volume 0.37337E-02 ppm1 3.441 ppm2 1.692 CV 1
ASSI { 588}
(( segid "PEPT" and resid 125 and name HA ))
( segid "PEPT" and resid 125 and name HB% )
2.000 0.500 0.500 peak 588 weight 0.10000E+01 volume 0.13275E-01 ppm1 3.446 ppm2 1.131 CV 1
ASSI { 589}
(( segid "PEPT" and resid 125 and name HA ))
( segid "PEPT" and resid 128 and name HD1%)
2.400 0.700 2.700 peak 589 weight 0.10000E+01 volume 0.37577E-02 ppm1 3.446 ppm2 0.691 CV 1
ASSI { 595}
(( segid "PEPT" and resid 67 and name HA ))
(( segid "PEPT" and resid 67 and name HB1 ))
2.400 0.700 0.700 peak 595 weight 0.10000E+01 volume 0.46187E-02 ppm1 5.466 ppm2 2.051 CV 1
ASSI { 600}
(( segid "PEPT" and resid 38 and name HA ))
(( segid "PEPT" and resid 49 and name HB ))
4.600 2.600 1.400 peak 600 weight 0.10000E+01 volume 0.59949E-03 ppm1 5.101 ppm2 1.650 CV 1
ASSI { 614}
(( segid "PEPT" and resid 118 and name HA ))
(( segid "PEPT" and resid 118 and name HN ))
3.400 1.400 1.400 peak 614 weight 0.10000E+01 volume 0.83291E-03 ppm1 4.999 ppm2 7.958 CV 1
ASSI { 615}
(( segid "PEPT" and resid 118 and name HA ))
( segid "PEPT" and resid 14 and name HE% )
3.300 1.400 3.700 peak 615 weight 0.10000E+01 volume 0.11813E-02 ppm1 4.989 ppm2 6.853 CV 1
ASSI { 616}
(( segid "PEPT" and resid 118 and name HA ))
(( segid "PEPT" and resid 118 and name HB1 ))
2.200 0.600 0.600 peak 616 weight 0.10000E+01 volume 0.10092E-01 ppm1 4.989 ppm2 3.647 CV 1
ASSI { 618}
(( segid "PEPT" and resid 45 and name HA ))
(( segid "PEPT" and resid 46 and name HN ))
3.000 1.100 1.100 peak 618 weight 0.10000E+01 volume 0.27427E-02 ppm1 4.913 ppm2 7.488 CV 1
ASSI { 620}
(( segid "PEPT" and resid 5 and name HA ))
(( segid "PEPT" and resid 6 and name HN ))
2.300 0.600 0.600 peak 620 weight 0.10000E+01 volume 0.43292E-02 ppm1 4.508 ppm2 8.583 CV 1
ASSI { 621}
(( segid "PEPT" and resid 5 and name HA ))
(( segid "PEPT" and resid 5 and name HN ))
3.900 1.900 1.900 peak 621 weight 0.10000E+01 volume 0.36984E-03 ppm1 4.507 ppm2 8.121 CV 1
ASSI { 626}
(( segid "PEPT" and resid 118 and name HA ))
(( segid "PEPT" and resid 119 and name HG1 ))
4.400 2.400 1.600 peak 626 weight 0.10000E+01 volume 0.18541E-02 ppm1 4.983 ppm2 1.943 CV 1
OR { 626}
(( segid "PEPT" and resid 118 and name HA ))
(( segid "PEPT" and resid 119 and name HG2 ))
ASSI { 630}
(( segid "PEPT" and resid 114 and name HA ))
(( segid "PEPT" and resid 115 and name HN ))
3.200 1.300 1.300 peak 630 weight 0.10000E+01 volume 0.57604E-03 ppm1 5.071 ppm2 9.596 CV 1
ASSI { 633}
(( segid "PEPT" and resid 152 and name HA ))
(( segid "PEPT" and resid 152 and name HN ))
2.800 1.000 1.000 peak 633 weight 0.10000E+01 volume 0.20016E-02 ppm1 5.146 ppm2 9.566 CV 1
ASSI { 634}
(( segid "PEPT" and resid 152 and name HA ))
( segid "PEPT" and resid 153 and name HG2%)
4.000 2.000 2.000 peak 634 weight 0.10000E+01 volume 0.14725E-02 ppm1 5.132 ppm2 1.017 CV 1
ASSI { 642}
(( segid "PEPT" and resid 18 and name HA ))
( segid "PEPT" and resid 19 and name HB% )
4.700 2.800 1.300 peak 642 weight 0.10000E+01 volume 0.63962E-03 ppm1 5.488 ppm2 0.824 CV 1
ASSI { 644}
(( segid "PEPT" and resid 152 and name HA ))
(( segid "PEPT" and resid 152 and name HB1 ))
2.800 1.000 1.000 peak 644 weight 0.10000E+01 volume 0.30076E-02 ppm1 5.149 ppm2 3.122 CV 1
OR { 644}
(( segid "PEPT" and resid 152 and name HA ))
(( segid "PEPT" and resid 152 and name HB2 ))
ASSI { 650}
(( segid "PEPT" and resid 10 and name HA ))
(( segid "PEPT" and resid 10 and name HN ))
3.000 1.200 1.200 peak 650 weight 0.10000E+01 volume 0.19117E-02 ppm1 4.135 ppm2 7.457 CV 1
ASSI { 656}
(( segid "PEPT" and resid 10 and name HA ))
( segid "PEPT" and resid 39 and name HD1%)
6.000 5.400 0.000 peak 656 weight 0.10000E+01 volume 0.90770E-04 ppm1 4.156 ppm2 0.338 CV 1
ASSI { 657}
(( segid "PEPT" and resid 10 and name HA ))
(( segid "PEPT" and resid 11 and name HN ))
2.700 0.900 0.900 peak 657 weight 0.10000E+01 volume 0.49086E-02 ppm1 4.142 ppm2 8.717 CV 1
ASSI { 658}
(( segid "PEPT" and resid 10 and name HA ))
(( segid "PEPT" and resid 13 and name HD1 ))
4.100 2.100 1.900 peak 658 weight 0.10000E+01 volume 0.56349E-03 ppm1 4.134 ppm2 7.102 CV 1
ASSI { 659}
(( segid "PEPT" and resid 10 and name HA ))
( segid "PEPT" and resid 10 and name HB% )
2.200 0.600 0.600 peak 659 weight 0.10000E+01 volume 0.10973E-01 ppm1 4.140 ppm2 1.662 CV 1
ASSI { 665}
(( segid "PEPT" and resid 17 and name HA ))
( segid "PEPT" and resid 17 and name HB% )
2.200 0.600 0.600 peak 665 weight 0.10000E+01 volume 0.60933E-02 ppm1 5.274 ppm2 0.968 CV 1
ASSI { 673}
(( segid "PEPT" and resid 21 and name HA ))
(( segid "PEPT" and resid 21 and name HB1 ))
2.700 0.900 0.900 peak 673 weight 0.10000E+01 volume 0.46064E-02 ppm1 5.224 ppm2 3.495 CV 1
ASSI { 675}
(( segid "PEPT" and resid 21 and name HA ))
(( segid "PEPT" and resid 21 and name HB2 ))
2.600 0.800 0.800 peak 675 weight 0.10000E+01 volume 0.40165E-02 ppm1 5.217 ppm2 3.179 CV 1
ASSI { 676}
(( segid "PEPT" and resid 21 and name HA ))
(( segid "PEPT" and resid 141 and name HG1 ))
3.900 1.900 1.900 peak 676 weight 0.10000E+01 volume 0.49794E-03 ppm1 5.214 ppm2 2.329 CV 1
OR { 676}
(( segid "PEPT" and resid 21 and name HA ))
(( segid "PEPT" and resid 141 and name HG2 ))
ASSI { 679}
(( segid "PEPT" and resid 81 and name HA ))
(( segid "PEPT" and resid 81 and name HN ))
2.900 1.000 1.000 peak 679 weight 0.10000E+01 volume 0.24929E-02 ppm1 4.362 ppm2 7.371 CV 1
ASSI { 685}
(( segid "PEPT" and resid 147 and name HD1 ))
( segid "PEPT" and resid 15 and name HG2%)
2.800 2.800 3.200 peak 685 weight 0.10000E+01 volume 0.50785E-03 ppm1 4.062 ppm2 0.575 CV 1
OR { 685}
(( segid "PEPT" and resid 147 and name HD1 ))
( segid "PEPT" and resid 15 and name HG1%)
OR { 685}
(( segid "PEPT" and resid 147 and name HD2 ))
( segid "PEPT" and resid 15 and name HG2%)
OR { 685}
(( segid "PEPT" and resid 147 and name HD2 ))
( segid "PEPT" and resid 15 and name HG1%)
ASSI { 692}
(( segid "PEPT" and resid 4 and name HD2 ))
(( segid "PEPT" and resid 4 and name HA ))
3.500 1.600 1.600 peak 692 weight 0.10000E+01 volume 0.20394E-02 ppm1 3.514 ppm2 4.183 CV 1
ASSI { 693}
(( segid "PEPT" and resid 4 and name HD1 ))
(( segid "PEPT" and resid 4 and name HA ))
3.300 1.300 1.300 peak 693 weight 0.10000E+01 volume 0.21540E-02 ppm1 3.337 ppm2 4.177 CV 1
ASSI { 698}
(( segid "PEPT" and resid 4 and name HD2 ))
(( segid "PEPT" and resid 4 and name HG1 ))
4.900 3.100 1.100 peak 698 weight 0.10000E+01 volume 0.18865E-03 ppm1 3.513 ppm2 1.687 CV 1
ASSI { 709}
(( segid "PEPT" and resid 37 and name HA ))
(( segid "PEPT" and resid 51 and name HA ))
2.100 0.600 0.600 peak 709 weight 0.10000E+01 volume 0.28448E-02 ppm1 5.396 ppm2 4.842 CV 1
ASSI { 710}
(( segid "PEPT" and resid 37 and name HA ))
( segid "PEPT" and resid 37 and name HB% )
2.300 0.700 0.700 peak 710 weight 0.10000E+01 volume 0.44206E-02 ppm1 5.396 ppm2 1.080 CV 1
ASSI { 733}
(( segid "PEPT" and resid 35 and name HA ))
( segid "PEPT" and resid 35 and name HB% )
2.300 0.600 0.600 peak 733 weight 0.10000E+01 volume 0.61451E-02 ppm1 5.272 ppm2 1.858 CV 1
ASSI { 752}
(( segid "PEPT" and resid 134 and name HA1 ))
(( segid "PEPT" and resid 133 and name HN ))
5.700 4.100 0.300 peak 752 weight 0.10000E+01 volume 0.39795E-03 ppm1 3.907 ppm2 8.724 CV 1
OR { 752}
(( segid "PEPT" and resid 134 and name HA2 ))
(( segid "PEPT" and resid 133 and name HN ))
ASSI { 753}
(( segid "PEPT" and resid 134 and name HA1 ))
(( segid "PEPT" and resid 135 and name HB1 ))
5.200 3.300 0.800 peak 753 weight 0.10000E+01 volume 0.50997E-03 ppm1 3.880 ppm2 2.012 CV 1
OR { 753}
(( segid "PEPT" and resid 134 and name HA2 ))
(( segid "PEPT" and resid 135 and name HB1 ))
OR { 753}
(( segid "PEPT" and resid 134 and name HA1 ))
(( segid "PEPT" and resid 135 and name HB2 ))
OR { 753}
(( segid "PEPT" and resid 134 and name HA2 ))
(( segid "PEPT" and resid 135 and name HB2 ))
ASSI { 754}
(( segid "PEPT" and resid 134 and name HA1 ))
(( segid "PEPT" and resid 131 and name HG1 ))
5.000 3.100 1.000 peak 754 weight 0.10000E+01 volume 0.10322E-03 ppm1 3.883 ppm2 1.458 CV 1
OR { 754}
(( segid "PEPT" and resid 134 and name HA2 ))
(( segid "PEPT" and resid 131 and name HG1 ))
ASSI { 755}
(( segid "PEPT" and resid 134 and name HA2 ))
( segid "PEPT" and resid 133 and name HB% )
4.500 2.600 1.500 peak 755 weight 0.10000E+01 volume 0.11279E-02 ppm1 3.885 ppm2 0.902 CV 1
OR { 755}
(( segid "PEPT" and resid 134 and name HA1 ))
( segid "PEPT" and resid 133 and name HB% )
ASSI { 776}
(( segid "PEPT" and resid 117 and name HA ))
( segid "PEPT" and resid 14 and name HD% )
3.600 1.600 3.400 peak 776 weight 0.10000E+01 volume 0.81394E-03 ppm1 3.686 ppm2 7.076 CV 1
ASSI { 777}
(( segid "PEPT" and resid 117 and name HA ))
(( segid "PEPT" and resid 117 and name HE ))
4.200 2.200 1.800 peak 777 weight 0.10000E+01 volume 0.13096E-02 ppm1 3.698 ppm2 6.340 CV 1
ASSI { 778}
(( segid "PEPT" and resid 117 and name HA ))
(( segid "PEPT" and resid 13 and name HN ))
3.000 3.000 3.000 peak 778 weight 0.10000E+01 volume 0.35461E-03 ppm1 3.662 ppm2 9.434 CV 1
ASSI { 779}
(( segid "PEPT" and resid 117 and name HA ))
(( segid "PEPT" and resid 14 and name HN ))
3.700 1.700 1.700 peak 779 weight 0.10000E+01 volume 0.39033E-03 ppm1 3.695 ppm2 9.360 CV 1
ASSI { 791}
(( segid "PEPT" and resid 102 and name HA ))
(( segid "PEPT" and resid 104 and name HB2 ))
4.600 2.600 1.400 peak 791 weight 0.10000E+01 volume 0.23217E-03 ppm1 5.232 ppm2 1.465 CV 1
OR { 791}
(( segid "PEPT" and resid 102 and name HA ))
(( segid "PEPT" and resid 104 and name HB1 ))
ASSI { 808}
(( segid "PEPT" and resid 49 and name HA ))
(( segid "PEPT" and resid 49 and name HN ))
3.400 1.500 1.500 peak 808 weight 0.10000E+01 volume 0.46839E-03 ppm1 4.521 ppm2 8.891 CV 1
ASSI { 815}
(( segid "PEPT" and resid 97 and name HA ))
(( segid "PEPT" and resid 99 and name HN ))
5.500 3.800 0.500 peak 815 weight 0.10000E+01 volume 0.39685E-03 ppm1 5.050 ppm2 9.535 CV 1
ASSI { 816}
(( segid "PEPT" and resid 50 and name HB2 ))
(( segid "PEPT" and resid 38 and name HN ))
4.900 3.000 1.100 peak 816 weight 0.10000E+01 volume 0.46215E-03 ppm1 3.481 ppm2 9.192 CV 1
ASSI { 817}
(( segid "PEPT" and resid 50 and name HB2 ))
(( segid "PEPT" and resid 51 and name HN ))
4.300 2.300 1.700 peak 817 weight 0.10000E+01 volume 0.48059E-03 ppm1 3.496 ppm2 8.984 CV 1
ASSI { 831}
(( segid "PEPT" and resid 145 and name HA ))
( segid "PEPT" and resid 17 and name HB% )
3.700 1.700 1.700 peak 831 weight 0.10000E+01 volume 0.73471E-03 ppm1 4.914 ppm2 0.997 CV 1
ASSI { 832}
(( segid "PEPT" and resid 52 and name HA ))
( segid "PEPT" and resid 52 and name HB% )
3.300 1.300 1.300 peak 832 weight 0.10000E+01 volume 0.88602E-03 ppm1 4.897 ppm2 0.916 CV 1
ASSI { 839}
(( segid "PEPT" and resid 91 and name HA ))
(( segid "PEPT" and resid 117 and name HG2 ))
3.400 3.400 2.600 peak 839 weight 0.10000E+01 volume 0.16488E-02 ppm1 4.818 ppm2 1.573 CV 1
OR { 839}
(( segid "PEPT" and resid 91 and name HA ))
(( segid "PEPT" and resid 117 and name HG1 ))
ASSI { 841}
(( segid "PEPT" and resid 114 and name HA ))
(( segid "PEPT" and resid 113 and name HG2 ))
3.600 1.600 1.600 peak 841 weight 0.10000E+01 volume 0.76359E-03 ppm1 5.065 ppm2 1.266 CV 1
OR { 841}
(( segid "PEPT" and resid 114 and name HA ))
(( segid "PEPT" and resid 113 and name HG1 ))
ASSI { 854}
(( segid "PEPT" and resid 19 and name HA ))
(( segid "PEPT" and resid 21 and name HD22))
3.900 1.900 1.900 peak 854 weight 0.10000E+01 volume 0.10699E-02 ppm1 5.429 ppm2 7.028 CV 1
ASSI { 856}
(( segid "PEPT" and resid 87 and name HA ))
(( segid "PEPT" and resid 76 and name HA ))
3.100 3.100 2.900 peak 856 weight 0.10000E+01 volume 0.32455E-03 ppm1 4.228 ppm2 5.229 CV 1
ASSI { 857}
(( segid "PEPT" and resid 87 and name HA ))
(( segid "PEPT" and resid 97 and name HA ))
6.000 4.500 0.000 peak 857 weight 0.10000E+01 volume 0.18374E-03 ppm1 4.197 ppm2 5.068 CV 1
ASSI { 864}
(( segid "PEPT" and resid 52 and name HA ))
(( segid "PEPT" and resid 61 and name HA ))
5.200 3.300 0.800 peak 864 weight 0.10000E+01 volume 0.28111E-03 ppm1 4.891 ppm2 5.493 CV 1
ASSI { 867}
(( segid "PEPT" and resid 112 and name HA ))
(( segid "PEPT" and resid 98 and name HA ))
4.400 2.400 1.600 peak 867 weight 0.10000E+01 volume 0.89176E-03 ppm1 5.658 ppm2 5.142 CV 1
ASSI { 870}
(( segid "PEPT" and resid 77 and name HA ))
(( segid "PEPT" and resid 77 and name HB2 ))
2.600 0.800 0.800 peak 870 weight 0.10000E+01 volume 0.38437E-02 ppm1 5.873 ppm2 2.979 CV 1
OR { 870}
(( segid "PEPT" and resid 77 and name HA ))
(( segid "PEPT" and resid 77 and name HB1 ))
ASSI { 874}
(( segid "PEPT" and resid 99 and name HA ))
(( segid "PEPT" and resid 112 and name HB1 ))
4.100 2.100 1.900 peak 874 weight 0.10000E+01 volume 0.85001E-03 ppm1 5.279 ppm2 2.161 CV 1
OR { 874}
(( segid "PEPT" and resid 99 and name HA ))
(( segid "PEPT" and resid 112 and name HB2 ))
ASSI { 875}
(( segid "PEPT" and resid 77 and name HA ))
(( segid "PEPT" and resid 79 and name HB2 ))
5.000 3.200 1.000 peak 875 weight 0.10000E+01 volume 0.32692E-03 ppm1 5.871 ppm2 2.136 CV 1
OR { 875}
(( segid "PEPT" and resid 77 and name HA ))
(( segid "PEPT" and resid 79 and name HB1 ))
ASSI { 885}
(( segid "PEPT" and resid 99 and name HA ))
( segid "PEPT" and resid 100 and name HB% )
4.600 2.600 1.400 peak 885 weight 0.10000E+01 volume 0.60305E-03 ppm1 5.305 ppm2 1.531 CV 1
ASSI { 893}
(( segid "PEPT" and resid 100 and name HA ))
( segid "PEPT" and resid 100 and name HB% )
2.300 0.700 0.700 peak 893 weight 0.10000E+01 volume 0.45584E-02 ppm1 5.715 ppm2 1.490 CV 1
ASSI { 896}
(( segid "PEPT" and resid 45 and name HA ))
(( segid "PEPT" and resid 45 and name HB2 ))
2.700 0.900 0.900 peak 896 weight 0.10000E+01 volume 0.49713E-02 ppm1 4.911 ppm2 2.824 CV 1
ASSI { 898}
(( segid "PEPT" and resid 45 and name HA ))
(( segid "PEPT" and resid 45 and name HB1 ))
2.500 0.800 0.800 peak 898 weight 0.10000E+01 volume 0.79303E-02 ppm1 4.907 ppm2 3.063 CV 1
ASSI { 901}
(( segid "PEPT" and resid 63 and name HA ))
(( segid "PEPT" and resid 63 and name HB1 ))
2.600 0.900 0.900 peak 901 weight 0.10000E+01 volume 0.28266E-02 ppm1 5.616 ppm2 1.857 CV 1
OR { 901}
(( segid "PEPT" and resid 63 and name HA ))
(( segid "PEPT" and resid 63 and name HB2 ))
ASSI { 908}
(( segid "PEPT" and resid 112 and name HA ))
(( segid "PEPT" and resid 112 and name HG1 ))
2.800 1.000 1.000 peak 908 weight 0.10000E+01 volume 0.23005E-02 ppm1 5.673 ppm2 2.526 CV 1
OR { 908}
(( segid "PEPT" and resid 112 and name HA ))
(( segid "PEPT" and resid 112 and name HG2 ))
ASSI { 916}
(( segid "PEPT" and resid 108 and name HA ))
(( segid "PEPT" and resid 109 and name HA ))
4.100 2.100 1.900 peak 916 weight 0.10000E+01 volume 0.78983E-03 ppm1 4.473 ppm2 4.714 CV 1
ASSI { 917}
(( segid "PEPT" and resid 110 and name HA ))
(( segid "PEPT" and resid 109 and name HA ))
4.200 2.200 1.800 peak 917 weight 0.10000E+01 volume 0.60584E-03 ppm1 6.046 ppm2 4.749 CV 1
ASSI { 927}
(( segid "PEPT" and resid 112 and name HA ))
(( segid "PEPT" and resid 99 and name HN ))
3.100 1.200 1.200 peak 927 weight 0.10000E+01 volume 0.57661E-02 ppm1 5.669 ppm2 9.558 CV 1
ASSI { 933}
(( segid "PEPT" and resid 116 and name HA ))
(( segid "PEPT" and resid 96 and name HN ))
3.800 1.800 1.800 peak 933 weight 0.10000E+01 volume 0.35292E-03 ppm1 5.808 ppm2 9.080 CV 1
ASSI { 942}
(( segid "PEPT" and resid 99 and name HA ))
(( segid "PEPT" and resid 112 and name HN ))
5.100 3.200 0.900 peak 942 weight 0.10000E+01 volume 0.11744E-03 ppm1 5.240 ppm2 9.132 CV 1
ASSI { 959}
(( segid "PEPT" and resid 75 and name HA ))
(( segid "PEPT" and resid 71 and name HN ))
4.200 2.200 1.800 peak 959 weight 0.10000E+01 volume 0.82301E-03 ppm1 4.991 ppm2 7.935 CV 1
ASSI { 962}
(( segid "PEPT" and resid 75 and name HA ))
( segid "PEPT" and resid 76 and name HD% )
5.100 3.300 0.900 peak 962 weight 0.10000E+01 volume 0.34902E-03 ppm1 4.993 ppm2 6.699 CV 1
OR { 962}
(( segid "PEPT" and resid 75 and name HA ))
( segid "PEPT" and resid 76 and name HE% )
ASSI { 963}
(( segid "PEPT" and resid 65 and name HA ))
( segid "PEPT" and resid 51 and name HE% )
2.600 2.600 3.400 peak 963 weight 0.10000E+01 volume 0.86740E-03 ppm1 5.193 ppm2 6.891 CV 1
ASSI { 967}
(( segid "PEPT" and resid 65 and name HB ))
(( segid "PEPT" and resid 65 and name HN ))
3.300 1.300 1.300 peak 967 weight 0.10000E+01 volume 0.77974E-03 ppm1 3.966 ppm2 8.419 CV 1
ASSI { 993}
(( segid "PEPT" and resid 40 and name HB2 ))
(( segid "PEPT" and resid 39 and name HG12))
4.300 2.400 1.700 peak 993 weight 0.10000E+01 volume 0.82022E-03 ppm1 3.664 ppm2 1.137 CV 1
ASSI { 994}
(( segid "PEPT" and resid 40 and name HB1 ))
(( segid "PEPT" and resid 48 and name HG1 ))
4.400 2.500 1.600 peak 994 weight 0.10000E+01 volume 0.31871E-03 ppm1 3.758 ppm2 1.467 CV 1
OR { 994}
(( segid "PEPT" and resid 40 and name HB1 ))
(( segid "PEPT" and resid 48 and name HG2 ))
OR { 994}
(( segid "PEPT" and resid 40 and name HB1 ))
(( segid "PEPT" and resid 48 and name HD2 ))
OR { 994}
(( segid "PEPT" and resid 40 and name HB1 ))
(( segid "PEPT" and resid 48 and name HD1 ))
ASSI { 1003}
(( segid "PEPT" and resid 70 and name HB1 ))
(( segid "PEPT" and resid 71 and name HN ))
4.500 2.500 1.500 peak 1003 weight 0.10000E+01 volume 0.19170E-03 ppm1 4.024 ppm2 7.928 CV 1
ASSI { 1011}
(( segid "PEPT" and resid 108 and name HA ))
(( segid "PEPT" and resid 108 and name HN ))
4.100 2.100 1.900 peak 1011 weight 0.10000E+01 volume 0.30431E-03 ppm1 4.480 ppm2 8.608 CV 1
ASSI { 1015}
(( segid "PEPT" and resid 147 and name HA ))
(( segid "PEPT" and resid 154 and name HB ))
3.800 1.800 1.800 peak 1015 weight 0.10000E+01 volume 0.13819E-02 ppm1 4.603 ppm2 1.990 CV 1
ASSI { 1016}
(( segid "PEPT" and resid 147 and name HA ))
(( segid "PEPT" and resid 148 and name HG1 ))
4.700 2.700 1.300 peak 1016 weight 0.10000E+01 volume 0.71860E-03 ppm1 4.578 ppm2 1.757 CV 1
OR { 1016}
(( segid "PEPT" and resid 147 and name HA ))
(( segid "PEPT" and resid 148 and name HB2 ))
ASSI { 1017}
(( segid "PEPT" and resid 9 and name HA ))
(( segid "PEPT" and resid 9 and name HG11))
3.200 1.200 1.200 peak 1017 weight 0.10000E+01 volume 0.83418E-03 ppm1 4.355 ppm2 1.655 CV 1
ASSI { 1029}
(( segid "PEPT" and resid 87 and name HA ))
(( segid "PEPT" and resid 87 and name HB ))
3.300 1.300 1.300 peak 1029 weight 0.10000E+01 volume 0.65104E-03 ppm1 4.219 ppm2 2.256 CV 1
ASSI { 1030}
(( segid "PEPT" and resid 129 and name HA ))
( segid "PEPT" and resid 129 and name HD% )
3.200 1.300 1.300 peak 1030 weight 0.10000E+01 volume 0.11572E-02 ppm1 4.006 ppm2 6.965 CV 1
ASSI { 1043}
(( segid "PEPT" and resid 123 and name HA ))
( segid "PEPT" and resid 121 and name HG1%)
4.000 2.000 2.000 peak 1043 weight 0.10000E+01 volume 0.55327E-03 ppm1 4.381 ppm2 0.784 CV 1
ASSI { 1047}
(( segid "PEPT" and resid 118 and name HB2 ))
(( segid "PEPT" and resid 120 and name HB2 ))
3.900 1.900 1.900 peak 1047 weight 0.10000E+01 volume 0.96644E-03 ppm1 3.948 ppm2 1.730 CV 1
ASSI { 1056}
(( segid "PEPT" and resid 78 and name HB1 ))
(( segid "PEPT" and resid 79 and name HG2 ))
5.800 4.100 0.200 peak 1056 weight 0.10000E+01 volume 0.39019E-03 ppm1 2.764 ppm2 2.403 CV 1
OR { 1056}
(( segid "PEPT" and resid 78 and name HB1 ))
(( segid "PEPT" and resid 79 and name HG1 ))
ASSI { 1073}
(( segid "PEPT" and resid 78 and name HB2 ))
(( segid "PEPT" and resid 78 and name HA ))
3.100 1.200 1.200 peak 1073 weight 0.10000E+01 volume 0.16729E-02 ppm1 3.164 ppm2 4.805 CV 1
ASSI { 1074}
(( segid "PEPT" and resid 78 and name HB1 ))
(( segid "PEPT" and resid 78 and name HA ))
3.600 1.600 1.600 peak 1074 weight 0.10000E+01 volume 0.50827E-03 ppm1 2.750 ppm2 4.858 CV 1
ASSI { 1080}
(( segid "PEPT" and resid 20 and name HB2 ))
(( segid "PEPT" and resid 112 and name HA ))
4.400 2.400 1.600 peak 1080 weight 0.10000E+01 volume 0.51769E-03 ppm1 3.625 ppm2 5.691 CV 1
OR { 1080}
(( segid "PEPT" and resid 20 and name HB1 ))
(( segid "PEPT" and resid 112 and name HA ))
ASSI { 1081}
(( segid "PEPT" and resid 20 and name HB2 ))
(( segid "PEPT" and resid 21 and name HD22))
5.500 3.800 0.500 peak 1081 weight 0.10000E+01 volume 0.28120E-03 ppm1 3.629 ppm2 7.004 CV 1
OR { 1081}
(( segid "PEPT" and resid 20 and name HB1 ))
(( segid "PEPT" and resid 21 and name HD22))
ASSI { 1083}
(( segid "PEPT" and resid 13 and name HA ))
(( segid "PEPT" and resid 14 and name HN ))
2.400 0.700 0.700 peak 1083 weight 0.10000E+01 volume 0.28620E-02 ppm1 4.634 ppm2 9.398 CV 1
ASSI { 1090}
(( segid "PEPT" and resid 95 and name HA ))
(( segid "PEPT" and resid 117 and name HE ))
3.000 1.200 1.200 peak 1090 weight 0.10000E+01 volume 0.17590E-02 ppm1 6.156 ppm2 6.370 CV 1
Contact the webmaster for help, if required. Friday, May 3, 2024 10:49:39 PM GMT (wattos1)