NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
610788 |
5mf9   |
34067 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: unambig.tbl
ASSI { 658}
(( segid "ocre" and resid 50 and name HA ))
( segid "ocre" and resid 40 and name HD% )
2.900 2.900 3.100 peak 658 spectrum 1 weight 0.11000E+01 volume 0.24919E-02 ppm1 5.742 ppm2 7.239 CV 1
ASSI { 665}
(( segid "ocre" and resid 50 and name HA ))
( segid "ocre" and resid 50 and name HD% )
3.200 1.300 1.300 peak 665 spectrum 1 weight 0.11000E+01 volume 0.14649E-02 ppm1 5.739 ppm2 7.004 CV 1
ASSI { 677}
(( segid "ocre" and resid 50 and name HA ))
( segid "ocre" and resid 50 and name HE% )
4.300 4.300 1.700 peak 677 spectrum 1 weight 0.11000E+01 volume 0.47908E-03 ppm1 5.744 ppm2 6.756 CV 1
ASSI { 768}
(( segid "ocre" and resid 50 and name HA ))
(( segid "ocre" and resid 39 and name HA ))
3.400 3.400 2.600 peak 768 spectrum 1 weight 0.11000E+01 volume 0.93690E-03 ppm1 5.739 ppm2 5.334 CV 1
ASSI { 882}
(( segid "ocre" and resid 50 and name HA ))
(( segid "ocre" and resid 50 and name HB1 ))
2.700 0.900 0.900 peak 882 spectrum 1 weight 0.11000E+01 volume 0.38539E-02 ppm1 5.739 ppm2 3.303 CV 1
ASSI { 886}
(( segid "ocre" and resid 50 and name HA ))
(( segid "ocre" and resid 50 and name HB2 ))
2.400 0.700 0.700 peak 886 spectrum 1 weight 0.11000E+01 volume 0.40101E-02 ppm1 5.739 ppm2 3.052 CV 1
ASSI { 976}
(( segid "ocre" and resid 32 and name HA ))
( segid "ocre" and resid 32 and name HD% )
3.200 3.200 2.800 peak 976 spectrum 1 weight 0.11000E+01 volume 0.12834E-02 ppm1 5.489 ppm2 7.285 CV 1
ASSI { 980}
(( segid "ocre" and resid 39 and name HA ))
( segid "ocre" and resid 39 and name HD% )
3.200 3.200 2.800 peak 980 spectrum 1 weight 0.11000E+01 volume 0.32685E-02 ppm1 5.330 ppm2 7.210 CV 1
ASSI { 981}
(( segid "ocre" and resid 39 and name HA ))
( segid "ocre" and resid 50 and name HD% )
4.000 4.000 2.000 peak 981 spectrum 1 weight 0.11000E+01 volume 0.37852E-03 ppm1 5.324 ppm2 7.001 CV 1
ASSI { 982}
(( segid "ocre" and resid 24 and name HA ))
( segid "ocre" and resid 24 and name HE% )
4.400 2.400 1.600 peak 982 spectrum 1 weight 0.11000E+01 volume 0.34760E-03 ppm1 5.272 ppm2 6.986 CV 1
ASSI { 986}
(( segid "ocre" and resid 49 and name HA ))
( segid "ocre" and resid 50 and name HD% )
4.300 4.300 1.700 peak 986 spectrum 1 weight 0.11000E+01 volume 0.25816E-03 ppm1 5.474 ppm2 7.000 CV 1
ASSI { 987}
(( segid "ocre" and resid 40 and name HA ))
( segid "ocre" and resid 40 and name HE% )
4.600 2.700 1.400 peak 987 spectrum 1 weight 0.11000E+01 volume 0.23417E-03 ppm1 5.655 ppm2 6.876 CV 1
ASSI { 988}
(( segid "ocre" and resid 48 and name HA ))
( segid "ocre" and resid 48 and name HE% )
4.700 2.800 1.300 peak 988 spectrum 1 weight 0.11000E+01 volume 0.35461E-03 ppm1 5.582 ppm2 6.650 CV 1
ASSI { 989}
(( segid "ocre" and resid 32 and name HA ))
( segid "ocre" and resid 32 and name HE% )
4.600 4.600 1.400 peak 989 spectrum 1 weight 0.11000E+01 volume 0.22552E-03 ppm1 5.484 ppm2 6.796 CV 1
ASSI { 991}
(( segid "ocre" and resid 39 and name HA ))
( segid "ocre" and resid 39 and name HE% )
4.300 4.300 1.700 peak 991 spectrum 1 weight 0.11000E+01 volume 0.56812E-03 ppm1 5.329 ppm2 6.744 CV 1
ASSI { 1011}
(( segid "ocre" and resid 48 and name HA ))
( segid "ocre" and resid 41 and name HE% )
4.500 2.500 1.500 peak 1011 spectrum 1 weight 0.11000E+01 volume 0.32102E-03 ppm1 5.577 ppm2 6.138 CV 1
ASSI { 1016}
(( segid "ocre" and resid 40 and name HA ))
( segid "ocre" and resid 33 and name HD% )
3.400 3.400 2.600 peak 1016 spectrum 1 weight 0.11000E+01 volume 0.85079E-03 ppm1 5.650 ppm2 5.961 CV 1
ASSI { 1017}
(( segid "ocre" and resid 48 and name HA ))
( segid "ocre" and resid 41 and name HD% )
3.200 1.300 1.300 peak 1017 spectrum 1 weight 0.11000E+01 volume 0.16435E-02 ppm1 5.583 ppm2 5.834 CV 1
ASSI { 1048}
(( segid "ocre" and resid 48 and name HA ))
(( segid "ocre" and resid 41 and name HA ))
2.500 0.800 0.800 peak 1048 spectrum 1 weight 0.11000E+01 volume 0.45002E-02 ppm1 5.581 ppm2 5.058 CV 1
ASSI { 1083}
(( segid "ocre" and resid 32 and name HA ))
(( segid "ocre" and resid 25 and name HA ))
2.500 2.500 3.500 peak 1083 spectrum 1 weight 0.11000E+01 volume 0.35132E-02 ppm1 5.488 ppm2 4.634 CV 1
ASSI { 1085}
(( segid "ocre" and resid 49 and name HA ))
(( segid "ocre" and resid 60 and name HA ))
2.300 0.700 0.700 peak 1085 spectrum 1 weight 0.11000E+01 volume 0.49958E-02 ppm1 5.476 ppm2 4.689 CV 1
ASSI { 1128}
(( segid "ocre" and resid 24 and name HA ))
(( segid "ocre" and resid 17 and name HA ))
2.500 0.800 0.800 peak 1128 spectrum 1 weight 0.11000E+01 volume 0.44262E-02 ppm1 5.255 ppm2 3.944 CV 1
ASSI { 1143}
(( segid "ocre" and resid 49 and name HA ))
(( segid "ocre" and resid 60 and name HD1 ))
5.400 3.600 0.600 peak 1143 spectrum 1 weight 0.11000E+01 volume 0.89565E-04 ppm1 5.471 ppm2 3.785 CV 1
ASSI { 1154}
(( segid "ocre" and resid 32 and name HA ))
(( segid "ocre" and resid 23 and name HB1 ))
4.700 4.700 1.300 peak 1154 spectrum 1 weight 0.11000E+01 volume 0.25850E-03 ppm1 5.492 ppm2 3.454 CV 1
ASSI { 1155}
(( segid "ocre" and resid 24 and name HA ))
(( segid "ocre" and resid 24 and name HB1 ))
2.900 1.000 1.000 peak 1155 spectrum 1 weight 0.11000E+01 volume 0.14840E-02 ppm1 5.255 ppm2 3.353 CV 1
ASSI { 1157}
(( segid "ocre" and resid 40 and name HA ))
(( segid "ocre" and resid 40 and name HB2 ))
3.000 1.100 1.100 peak 1157 spectrum 1 weight 0.11000E+01 volume 0.21665E-02 ppm1 5.651 ppm2 2.945 CV 1
ASSI { 1158}
(( segid "ocre" and resid 32 and name HA ))
(( segid "ocre" and resid 32 and name HB1 ))
2.600 2.600 3.400 peak 1158 spectrum 1 weight 0.11000E+01 volume 0.25862E-02 ppm1 5.489 ppm2 3.104 CV 1
ASSI { 1159}
(( segid "ocre" and resid 39 and name HA ))
(( segid "ocre" and resid 39 and name HB2 ))
2.700 2.700 3.300 peak 1159 spectrum 1 weight 0.11000E+01 volume 0.27359E-02 ppm1 5.332 ppm2 3.039 CV 1
ASSI { 1160}
(( segid "ocre" and resid 24 and name HA ))
(( segid "ocre" and resid 24 and name HB2 ))
3.000 1.100 1.100 peak 1160 spectrum 1 weight 0.11000E+01 volume 0.24185E-02 ppm1 5.257 ppm2 3.148 CV 1
ASSI { 1164}
(( segid "ocre" and resid 48 and name HA ))
(( segid "ocre" and resid 48 and name HB1 ))
2.600 0.800 0.800 peak 1164 spectrum 1 weight 0.11000E+01 volume 0.33972E-02 ppm1 5.582 ppm2 2.749 CV 1
ASSI { 1166}
(( segid "ocre" and resid 24 and name HA ))
(( segid "ocre" and resid 17 and name HB2 ))
3.900 3.900 2.100 peak 1166 spectrum 1 weight 0.11000E+01 volume 0.60082E-03 ppm1 5.261 ppm2 2.744 CV 1
ASSI { 1173}
(( segid "ocre" and resid 40 and name HA ))
(( segid "ocre" and resid 33 and name HB2 ))
3.900 1.900 1.900 peak 1173 spectrum 1 weight 0.11000E+01 volume 0.39847E-03 ppm1 5.646 ppm2 2.459 CV 1
ASSI { 1176}
(( segid "ocre" and resid 32 and name HA ))
(( segid "ocre" and resid 41 and name HB2 ))
5.100 5.100 0.900 peak 1176 spectrum 1 weight 0.11000E+01 volume 0.31759E-03 ppm1 5.490 ppm2 2.469 CV 1
ASSI { 1180}
(( segid "ocre" and resid 49 and name HA ))
(( segid "ocre" and resid 58 and name HB1 ))
5.100 3.200 0.900 peak 1180 spectrum 1 weight 0.11000E+01 volume 0.21297E-03 ppm1 5.475 ppm2 2.547 CV 1
ASSI { 1181}
(( segid "ocre" and resid 49 and name HA ))
(( segid "ocre" and resid 60 and name HB1 ))
4.100 2.100 1.900 peak 1181 spectrum 1 weight 0.11000E+01 volume 0.67921E-03 ppm1 5.475 ppm2 2.310 CV 1
ASSI { 1206}
(( segid "ocre" and resid 40 and name HA ))
(( segid "ocre" and resid 49 and name HB2 ))
4.200 2.200 1.800 peak 1206 spectrum 1 weight 0.11000E+01 volume 0.34724E-03 ppm1 5.647 ppm2 1.451 CV 1
ASSI { 1208}
(( segid "ocre" and resid 48 and name HA ))
(( segid "ocre" and resid 49 and name HG ))
3.700 1.800 1.800 peak 1208 spectrum 1 weight 0.11000E+01 volume 0.62091E-03 ppm1 5.584 ppm2 1.464 CV 1
ASSI { 1209}
(( segid "ocre" and resid 49 and name HA ))
(( segid "ocre" and resid 49 and name HB1 ))
2.600 0.900 0.900 peak 1209 spectrum 1 weight 0.11000E+01 volume 0.25531E-02 ppm1 5.476 ppm2 1.589 CV 1
ASSI { 1210}
(( segid "ocre" and resid 49 and name HA ))
(( segid "ocre" and resid 49 and name HB2 ))
2.700 0.900 0.900 peak 1210 spectrum 1 weight 0.11000E+01 volume 0.37080E-02 ppm1 5.476 ppm2 1.469 CV 1
ASSI { 1231}
(( segid "ocre" and resid 48 and name HA ))
( segid "ocre" and resid 61 and name HB% )
3.900 3.900 2.100 peak 1231 spectrum 1 weight 0.11000E+01 volume 0.60706E-03 ppm1 5.583 ppm2 1.228 CV 1
ASSI { 1233}
(( segid "ocre" and resid 49 and name HA ))
( segid "ocre" and resid 61 and name HB% )
3.600 3.600 2.400 peak 1233 spectrum 1 weight 0.11000E+01 volume 0.11356E-02 ppm1 5.476 ppm2 1.230 CV 1
ASSI { 1255}
(( segid "ocre" and resid 48 and name HA ))
( segid "ocre" and resid 49 and name HD2%)
3.600 3.600 2.400 peak 1255 spectrum 1 weight 0.11000E+01 volume 0.95948E-03 ppm1 5.584 ppm2 0.674 CV 1
ASSI { 1283}
(( segid "ocre" and resid 49 and name HA ))
( segid "ocre" and resid 49 and name HD1%)
2.900 1.000 1.000 peak 1283 spectrum 1 weight 0.11000E+01 volume 0.44880E-02 ppm1 5.476 ppm2 0.636 CV 1
ASSI { 1290}
(( segid "ocre" and resid 33 and name HA ))
( segid "ocre" and resid 40 and name HD% )
3.500 1.600 1.600 peak 1290 spectrum 1 weight 0.11000E+01 volume 0.86603E-03 ppm1 4.873 ppm2 7.245 CV 1
ASSI { 1293}
(( segid "ocre" and resid 41 and name HA ))
( segid "ocre" and resid 48 and name HD% )
4.200 4.200 1.800 peak 1293 spectrum 1 weight 0.11000E+01 volume 0.82244E-03 ppm1 5.059 ppm2 7.240 CV 1
ASSI { 1294}
(( segid "ocre" and resid 15 and name HA ))
( segid "ocre" and resid 24 and name HD% )
4.600 2.600 1.400 peak 1294 spectrum 1 weight 0.11000E+01 volume 0.33910E-03 ppm1 4.968 ppm2 7.239 CV 1
ASSI { 1295}
(( segid "ocre" and resid 16 and name HA ))
( segid "ocre" and resid 24 and name HD% )
3.700 1.700 1.700 peak 1295 spectrum 1 weight 0.11000E+01 volume 0.48337E-03 ppm1 4.884 ppm2 7.238 CV 1
ASSI { 1302}
(( segid "ocre" and resid 23 and name HA ))
( segid "ocre" and resid 23 and name HD% )
2.600 2.600 3.400 peak 1302 spectrum 1 weight 0.11000E+01 volume 0.27140E-02 ppm1 5.155 ppm2 6.941 CV 1
ASSI { 1303}
(( segid "ocre" and resid 16 and name HA ))
( segid "ocre" and resid 24 and name HE% )
4.400 2.500 1.600 peak 1303 spectrum 1 weight 0.11000E+01 volume 0.21889E-03 ppm1 4.886 ppm2 6.981 CV 1
ASSI { 1305}
(( segid "ocre" and resid 34 and name HA ))
( segid "ocre" and resid 23 and name HD% )
3.300 3.300 2.700 peak 1305 spectrum 1 weight 0.11000E+01 volume 0.85301E-03 ppm1 4.955 ppm2 6.944 CV 1
ASSI { 1312}
(( segid "ocre" and resid 15 and name HA ))
( segid "ocre" and resid 15 and name HD% )
2.600 0.800 0.800 peak 1312 spectrum 1 weight 0.11000E+01 volume 0.47760E-02 ppm1 4.970 ppm2 6.814 CV 1
ASSI { 1319}
(( segid "ocre" and resid 26 and name HA ))
( segid "ocre" and resid 15 and name HD% )
3.700 1.700 1.700 peak 1319 spectrum 1 weight 0.11000E+01 volume 0.67095E-03 ppm1 4.650 ppm2 6.815 CV 1
ASSI { 1347}
(( segid "ocre" and resid 15 and name HA ))
( segid "ocre" and resid 15 and name HE% )
3.800 1.800 1.800 peak 1347 spectrum 1 weight 0.11000E+01 volume 0.83537E-03 ppm1 4.971 ppm2 6.233 CV 1
ASSI { 1352}
(( segid "ocre" and resid 26 and name HA ))
( segid "ocre" and resid 15 and name HE% )
4.700 2.700 1.300 peak 1352 spectrum 1 weight 0.11000E+01 volume 0.28669E-03 ppm1 4.649 ppm2 6.231 CV 1
ASSI { 1359}
(( segid "ocre" and resid 41 and name HA ))
( segid "ocre" and resid 41 and name HD% )
2.700 0.900 0.900 peak 1359 spectrum 1 weight 0.11000E+01 volume 0.28816E-02 ppm1 5.059 ppm2 5.835 CV 1
ASSI { 1360}
(( segid "ocre" and resid 33 and name HA ))
( segid "ocre" and resid 33 and name HD% )
2.900 2.900 3.100 peak 1360 spectrum 1 weight 0.11000E+01 volume 0.18519E-02 ppm1 4.871 ppm2 5.961 CV 1
ASSI { 1380}
(( segid "ocre" and resid 33 and name HA ))
(( segid "ocre" and resid 40 and name HA ))
2.500 0.800 0.800 peak 1380 spectrum 1 weight 0.11000E+01 volume 0.39219E-02 ppm1 4.871 ppm2 5.653 CV 1
ASSI { 1417}
(( segid "ocre" and resid 23 and name HA ))
(( segid "ocre" and resid 34 and name HA ))
3.400 1.400 1.400 peak 1417 spectrum 1 weight 0.11000E+01 volume 0.13278E-02 ppm1 5.156 ppm2 4.955 CV 1
ASSI { 1509}
(( segid "ocre" and resid 58 and name HA ))
(( segid "ocre" and resid 51 and name HA ))
2.600 0.800 0.800 peak 1509 spectrum 1 weight 0.11000E+01 volume 0.36636E-02 ppm1 4.895 ppm2 4.347 CV 1
ASSI { 1511}
(( segid "ocre" and resid 23 and name HA ))
(( segid "ocre" and resid 35 and name HD1 ))
3.300 1.400 1.400 peak 1511 spectrum 1 weight 0.11000E+01 volume 0.13307E-02 ppm1 5.155 ppm2 4.320 CV 1
ASSI { 1545}
(( segid "ocre" and resid 15 and name HA ))
(( segid "ocre" and resid 27 and name HD1 ))
3.300 1.400 1.400 peak 1545 spectrum 1 weight 0.11000E+01 volume 0.21562E-02 ppm1 4.970 ppm2 4.023 CV 1
ASSI { 1596}
(( segid "ocre" and resid 23 and name HA ))
(( segid "ocre" and resid 23 and name HB1 ))
2.600 0.800 0.800 peak 1596 spectrum 1 weight 0.11000E+01 volume 0.31590E-02 ppm1 5.155 ppm2 3.455 CV 1
ASSI { 1597}
(( segid "ocre" and resid 15 and name HA ))
(( segid "ocre" and resid 15 and name HB1 ))
2.400 0.700 0.700 peak 1597 spectrum 1 weight 0.11000E+01 volume 0.36568E-02 ppm1 4.969 ppm2 3.212 CV 1
ASSI { 1601}
(( segid "ocre" and resid 26 and name HA ))
(( segid "ocre" and resid 15 and name HB1 ))
4.800 2.900 1.200 peak 1601 spectrum 1 weight 0.11000E+01 volume 0.19584E-03 ppm1 4.650 ppm2 3.203 CV 1
ASSI { 1609}
(( segid "ocre" and resid 23 and name HA ))
(( segid "ocre" and resid 23 and name HB2 ))
3.000 1.100 1.100 peak 1609 spectrum 1 weight 0.11000E+01 volume 0.27750E-02 ppm1 5.155 ppm2 3.104 CV 1
ASSI { 1610}
(( segid "ocre" and resid 41 and name HA ))
(( segid "ocre" and resid 32 and name HB1 ))
4.400 4.400 1.600 peak 1610 spectrum 1 weight 0.11000E+01 volume 0.56123E-03 ppm1 5.057 ppm2 3.093 CV 1
ASSI { 1617}
(( segid "ocre" and resid 42 and name HA ))
(( segid "ocre" and resid 42 and name HB1 ))
2.800 0.900 0.900 peak 1617 spectrum 1 weight 0.11000E+01 volume 0.39006E-02 ppm1 4.824 ppm2 3.064 CV 1
ASSI { 1629}
(( segid "ocre" and resid 58 and name HA ))
(( segid "ocre" and resid 58 and name HB1 ))
2.500 0.800 0.800 peak 1629 spectrum 1 weight 0.11000E+01 volume 0.35884E-02 ppm1 4.897 ppm2 2.556 CV 1
ASSI { 1630}
(( segid "ocre" and resid 33 and name HA ))
(( segid "ocre" and resid 33 and name HB1 ))
3.200 1.200 1.200 peak 1630 spectrum 1 weight 0.11000E+01 volume 0.20171E-02 ppm1 4.875 ppm2 2.671 CV 1
ASSI { 1634}
(( segid "ocre" and resid 41 and name HA ))
(( segid "ocre" and resid 41 and name HB1 ))
2.900 1.100 1.100 peak 1634 spectrum 1 weight 0.11000E+01 volume 0.24521E-02 ppm1 5.059 ppm2 2.664 CV 1
ASSI { 1639}
(( segid "ocre" and resid 16 and name HA ))
(( segid "ocre" and resid 16 and name HG1 ))
2.400 0.700 0.700 peak 1639 spectrum 1 weight 0.11000E+01 volume 0.63731E-02 ppm1 4.886 ppm2 2.561 CV 1
ASSI { 1662}
(( segid "ocre" and resid 41 and name HA ))
(( segid "ocre" and resid 41 and name HB2 ))
2.700 0.900 0.900 peak 1662 spectrum 1 weight 0.11000E+01 volume 0.15813E-02 ppm1 5.058 ppm2 2.474 CV 1
ASSI { 1664}
(( segid "ocre" and resid 16 and name HA ))
(( segid "ocre" and resid 16 and name HB1 ))
2.400 0.700 0.700 peak 1664 spectrum 1 weight 0.11000E+01 volume 0.87298E-02 ppm1 4.886 ppm2 2.242 CV 1
ASSI { 1687}
(( segid "ocre" and resid 23 and name HA ))
(( segid "ocre" and resid 35 and name HG1 ))
4.100 2.100 1.900 peak 1687 spectrum 1 weight 0.11000E+01 volume 0.54732E-03 ppm1 5.155 ppm2 2.106 CV 1
ASSI { 1697}
(( segid "ocre" and resid 42 and name HA ))
(( segid "ocre" and resid 42 and name HB2 ))
2.400 0.700 0.700 peak 1697 spectrum 1 weight 0.11000E+01 volume 0.49257E-02 ppm1 4.824 ppm2 2.037 CV 1
ASSI { 1700}
(( segid "ocre" and resid 26 and name HA ))
(( segid "ocre" and resid 27 and name HG1 ))
4.100 2.100 1.900 peak 1700 spectrum 1 weight 0.11000E+01 volume 0.12043E-02 ppm1 4.651 ppm2 2.063 CV 1
ASSI { 1735}
(( segid "ocre" and resid 42 and name HA ))
(( segid "ocre" and resid 47 and name HB2 ))
4.200 2.200 1.800 peak 1735 spectrum 1 weight 0.11000E+01 volume 0.34180E-03 ppm1 4.826 ppm2 1.640 CV 1
ASSI { 1751}
(( segid "ocre" and resid 60 and name HA ))
(( segid "ocre" and resid 49 and name HB2 ))
4.200 2.200 1.800 peak 1751 spectrum 1 weight 0.11000E+01 volume 0.10692E-02 ppm1 4.690 ppm2 1.462 CV 1
ASSI { 1752}
(( segid "ocre" and resid 58 and name HA ))
(( segid "ocre" and resid 49 and name HB1 ))
3.900 1.900 1.900 peak 1752 spectrum 1 weight 0.11000E+01 volume 0.44120E-03 ppm1 4.897 ppm2 1.592 CV 1
ASSI { 1753}
(( segid "ocre" and resid 58 and name HA ))
(( segid "ocre" and resid 49 and name HG ))
4.600 2.700 1.400 peak 1753 spectrum 1 weight 0.11000E+01 volume 0.40524E-03 ppm1 4.899 ppm2 1.470 CV 1
ASSI { 1756}
(( segid "ocre" and resid 41 and name HA ))
(( segid "ocre" and resid 49 and name HG ))
4.300 2.300 1.700 peak 1756 spectrum 1 weight 0.11000E+01 volume 0.28074E-03 ppm1 5.057 ppm2 1.459 CV 1
ASSI { 1792}
(( segid "ocre" and resid 60 and name HA ))
( segid "ocre" and resid 61 and name HB% )
5.000 5.000 1.000 peak 1792 spectrum 1 weight 0.11000E+01 volume 0.28015E-03 ppm1 4.692 ppm2 1.230 CV 1
ASSI { 1796}
(( segid "ocre" and resid 15 and name HA ))
(( segid "ocre" and resid 26 and name HB2 ))
3.600 1.600 1.600 peak 1796 spectrum 1 weight 0.11000E+01 volume 0.48491E-03 ppm1 4.972 ppm2 1.094 CV 1
ASSI { 1803}
(( segid "ocre" and resid 42 and name HA ))
( segid "ocre" and resid 45 and name HG2%)
5.100 5.100 0.900 peak 1803 spectrum 1 weight 0.11000E+01 volume 0.13251E-03 ppm1 4.824 ppm2 0.995 CV 1
ASSI { 1805}
(( segid "ocre" and resid 26 and name HA ))
(( segid "ocre" and resid 26 and name HB2 ))
2.800 1.000 1.000 peak 1805 spectrum 1 weight 0.11000E+01 volume 0.16035E-02 ppm1 4.649 ppm2 1.082 CV 1
ASSI { 1825}
(( segid "ocre" and resid 58 and name HA ))
( segid "ocre" and resid 59 and name HG1%)
4.300 2.300 1.700 peak 1825 spectrum 1 weight 0.11000E+01 volume 0.42616E-03 ppm1 4.898 ppm2 0.895 CV 1
ASSI { 1827}
(( segid "ocre" and resid 41 and name HA ))
( segid "ocre" and resid 49 and name HD2%)
4.000 2.000 2.000 peak 1827 spectrum 1 weight 0.11000E+01 volume 0.84688E-03 ppm1 5.059 ppm2 0.677 CV 1
ASSI { 1853}
(( segid "ocre" and resid 58 and name HA ))
( segid "ocre" and resid 59 and name HG2%)
3.700 1.700 1.700 peak 1853 spectrum 1 weight 0.11000E+01 volume 0.15428E-02 ppm1 4.897 ppm2 0.605 CV 1
ASSI { 1858}
(( segid "ocre" and resid 42 and name HA ))
( segid "ocre" and resid 31 and name HD1%)
2.300 2.300 3.700 peak 1858 spectrum 1 weight 0.11000E+01 volume 0.90367E-02 ppm1 4.824 ppm2 0.589 CV 1
ASSI { 1877}
(( segid "ocre" and resid 57 and name HA ))
( segid "ocre" and resid 7 and name HD% )
2.800 2.800 3.200 peak 1877 spectrum 1 weight 0.11000E+01 volume 0.23532E-02 ppm1 4.195 ppm2 7.238 CV 1
ASSI { 1878}
(( segid "ocre" and resid 7 and name HA ))
( segid "ocre" and resid 7 and name HD% )
2.800 2.800 3.200 peak 1878 spectrum 1 weight 0.11000E+01 volume 0.30477E-02 ppm1 4.615 ppm2 7.244 CV 1
ASSI { 1881}
(( segid "ocre" and resid 31 and name HA ))
( segid "ocre" and resid 32 and name HD% )
3.400 3.400 2.600 peak 1881 spectrum 1 weight 0.11000E+01 volume 0.62864E-03 ppm1 4.557 ppm2 7.268 CV 1
ASSI { 1886}
(( segid "ocre" and resid 21 and name HA ))
( segid "ocre" and resid 23 and name HD% )
4.500 2.500 1.500 peak 1886 spectrum 1 weight 0.11000E+01 volume 0.42844E-03 ppm1 4.315 ppm2 6.938 CV 1
ASSI { 1893}
(( segid "ocre" and resid 61 and name HA ))
( segid "ocre" and resid 50 and name HD% )
2.800 2.800 3.200 peak 1893 spectrum 1 weight 0.11000E+01 volume 0.27651E-02 ppm1 4.472 ppm2 7.004 CV 1
ASSI { 1894}
(( segid "ocre" and resid 35 and name HD1 ))
( segid "ocre" and resid 24 and name HE% )
3.600 1.600 1.600 peak 1894 spectrum 1 weight 0.11000E+01 volume 0.79566E-03 ppm1 4.315 ppm2 6.966 CV 1
ASSI { 1896}
(( segid "ocre" and resid 14 and name HA ))
( segid "ocre" and resid 15 and name HD% )
5.200 5.200 0.800 peak 1896 spectrum 1 weight 0.11000E+01 volume 0.17974E-03 ppm1 4.387 ppm2 6.809 CV 1
ASSI { 1897}
(( segid "ocre" and resid 29 and name HA ))
( segid "ocre" and resid 7 and name HE% )
4.200 4.200 1.800 peak 1897 spectrum 1 weight 0.11000E+01 volume 0.31108E-03 ppm1 4.236 ppm2 6.816 CV 1
ASSI { 1904}
(( segid "ocre" and resid 51 and name HA ))
(( segid "ocre" and resid 51 and name HD1 ))
4.400 2.400 1.600 peak 1904 spectrum 1 weight 0.11000E+01 volume 0.31848E-03 ppm1 4.346 ppm2 6.898 CV 1
ASSI { 1910}
(( segid "ocre" and resid 61 and name HA ))
( segid "ocre" and resid 50 and name HE% )
2.800 2.800 3.200 peak 1910 spectrum 1 weight 0.11000E+01 volume 0.31365E-02 ppm1 4.472 ppm2 6.769 CV 1
ASSI { 1915}
(( segid "ocre" and resid 51 and name HA ))
( segid "ocre" and resid 58 and name HD% )
3.700 1.700 1.700 peak 1915 spectrum 1 weight 0.11000E+01 volume 0.52660E-03 ppm1 4.347 ppm2 6.422 CV 1
ASSI { 1917}
(( segid "ocre" and resid 35 and name HD1 ))
( segid "ocre" and resid 23 and name HE% )
4.500 4.500 1.500 peak 1917 spectrum 1 weight 0.11000E+01 volume 0.26794E-03 ppm1 4.315 ppm2 6.550 CV 1
ASSI { 1918}
(( segid "ocre" and resid 35 and name HD1 ))
( segid "ocre" and resid 33 and name HE% )
4.300 2.300 1.700 peak 1918 spectrum 1 weight 0.11000E+01 volume 0.20536E-03 ppm1 4.312 ppm2 6.369 CV 1
ASSI { 1924}
(( segid "ocre" and resid 51 and name HA ))
(( segid "ocre" and resid 51 and name HZ3 ))
5.800 4.300 0.200 peak 1924 spectrum 1 weight 0.11000E+01 volume 0.11650E-03 ppm1 4.362 ppm2 6.137 CV 1
ASSI { 1944}
(( segid "ocre" and resid 51 and name HA ))
(( segid "ocre" and resid 51 and name HE3 ))
3.300 1.300 1.300 peak 1944 spectrum 1 weight 0.11000E+01 volume 0.81910E-03 ppm1 4.356 ppm2 5.364 CV 1
ASSI { 1975}
(( segid "ocre" and resid 35 and name HD1 ))
(( segid "ocre" and resid 34 and name HA ))
2.200 0.600 0.600 peak 1975 spectrum 1 weight 0.11000E+01 volume 0.64548E-02 ppm1 4.316 ppm2 4.955 CV 1
ASSI { 2108}
(( segid "ocre" and resid 28 and name HB ))
(( segid "ocre" and resid 28 and name HA ))
2.200 0.600 0.600 peak 2108 spectrum 1 weight 0.11000E+01 volume 0.10331E-01 ppm1 4.247 ppm2 4.062 CV 1
ASSI { 2121}
(( segid "ocre" and resid 29 and name HA ))
(( segid "ocre" and resid 29 and name HB ))
2.300 0.600 0.600 peak 2121 spectrum 1 weight 0.11000E+01 volume 0.95472E-02 ppm1 4.248 ppm2 3.806 CV 1
ASSI { 2122}
(( segid "ocre" and resid 5 and name HA ))
(( segid "ocre" and resid 5 and name HB ))
2.200 0.600 0.600 peak 2122 spectrum 1 weight 0.11000E+01 volume 0.11565E-01 ppm1 4.218 ppm2 4.068 CV 1
ASSI { 2123}
(( segid "ocre" and resid 13 and name HA ))
(( segid "ocre" and resid 13 and name HB1 ))
2.100 0.500 0.500 peak 2123 spectrum 1 weight 0.11000E+01 volume 0.17810E-01 ppm1 4.135 ppm2 3.866 CV 1
ASSI { 2165}
(( segid "ocre" and resid 37 and name HA ))
(( segid "ocre" and resid 37 and name HB1 ))
2.300 0.600 0.600 peak 2165 spectrum 1 weight 0.11000E+01 volume 0.88642E-02 ppm1 4.199 ppm2 3.704 CV 1
ASSI { 2166}
(( segid "ocre" and resid 59 and name HA ))
(( segid "ocre" and resid 60 and name HD1 ))
2.100 0.500 0.500 peak 2166 spectrum 1 weight 0.11000E+01 volume 0.10986E-01 ppm1 4.493 ppm2 3.790 CV 1
ASSI { 2167}
(( segid "ocre" and resid 59 and name HA ))
(( segid "ocre" and resid 60 and name HD2 ))
2.400 0.700 0.700 peak 2167 spectrum 1 weight 0.11000E+01 volume 0.77542E-02 ppm1 4.493 ppm2 3.648 CV 1
ASSI { 2169}
(( segid "ocre" and resid 21 and name HA ))
(( segid "ocre" and resid 21 and name HB1 ))
2.100 0.500 0.500 peak 2169 spectrum 1 weight 0.11000E+01 volume 0.11840E-01 ppm1 4.315 ppm2 3.505 CV 1
ASSI { 2207}
(( segid "ocre" and resid 57 and name HA ))
(( segid "ocre" and resid 7 and name HB1 ))
4.400 4.400 1.600 peak 2207 spectrum 1 weight 0.11000E+01 volume 0.28639E-03 ppm1 4.211 ppm2 3.250 CV 1
ASSI { 2208}
(( segid "ocre" and resid 7 and name HA ))
(( segid "ocre" and resid 7 and name HB1 ))
2.600 0.900 0.900 peak 2208 spectrum 1 weight 0.11000E+01 volume 0.36295E-02 ppm1 4.614 ppm2 3.238 CV 1
ASSI { 2215}
(( segid "ocre" and resid 51 and name HA ))
(( segid "ocre" and resid 51 and name HB1 ))
3.400 1.500 1.500 peak 2215 spectrum 1 weight 0.11000E+01 volume 0.11069E-02 ppm1 4.358 ppm2 3.211 CV 1
ASSI { 2234}
(( segid "ocre" and resid 37 and name HA ))
(( segid "ocre" and resid 36 and name HB1 ))
4.000 2.000 2.000 peak 2234 spectrum 1 weight 0.11000E+01 volume 0.40770E-03 ppm1 4.196 ppm2 2.998 CV 1
ASSI { 2238}
(( segid "ocre" and resid 36 and name HA ))
(( segid "ocre" and resid 36 and name HB1 ))
2.500 0.800 0.800 peak 2238 spectrum 1 weight 0.11000E+01 volume 0.55619E-02 ppm1 4.516 ppm2 2.996 CV 1
ASSI { 2265}
(( segid "ocre" and resid 7 and name HA ))
(( segid "ocre" and resid 7 and name HB2 ))
3.000 1.100 1.100 peak 2265 spectrum 1 weight 0.11000E+01 volume 0.24993E-02 ppm1 4.614 ppm2 2.847 CV 1
ASSI { 2266}
(( segid "ocre" and resid 25 and name HA ))
(( segid "ocre" and resid 25 and name HB1 ))
3.000 1.100 1.100 peak 2266 spectrum 1 weight 0.11000E+01 volume 0.27210E-02 ppm1 4.634 ppm2 2.705 CV 1
ASSI { 2271}
(( segid "ocre" and resid 36 and name HA ))
(( segid "ocre" and resid 36 and name HB2 ))
2.500 0.800 0.800 peak 2271 spectrum 1 weight 0.11000E+01 volume 0.80649E-02 ppm1 4.516 ppm2 2.813 CV 1
ASSI { 2272}
(( segid "ocre" and resid 51 and name HA ))
(( segid "ocre" and resid 51 and name HB2 ))
2.800 1.000 1.000 peak 2272 spectrum 1 weight 0.11000E+01 volume 0.18359E-02 ppm1 4.357 ppm2 2.851 CV 1
ASSI { 2276}
(( segid "ocre" and resid 11 and name HA ))
(( segid "ocre" and resid 11 and name HB1 ))
2.700 0.900 0.900 peak 2276 spectrum 1 weight 0.11000E+01 volume 0.31791E-02 ppm1 4.551 ppm2 2.668 CV 1
ASSI { 2288}
(( segid "ocre" and resid 45 and name HB ))
(( segid "ocre" and resid 47 and name HG1 ))
2.600 0.800 0.800 peak 2288 spectrum 1 weight 0.11000E+01 volume 0.39826E-02 ppm1 4.191 ppm2 2.271 CV 1
ASSI { 2304}
(( segid "ocre" and resid 54 and name HA ))
(( segid "ocre" and resid 54 and name HG1 ))
2.800 1.000 1.000 peak 2304 spectrum 1 weight 0.11000E+01 volume 0.31214E-02 ppm1 4.119 ppm2 2.244 CV 1
ASSI { 2309}
(( segid "ocre" and resid 63 and name HA ))
(( segid "ocre" and resid 63 and name HG1 ))
3.000 1.200 1.200 peak 2309 spectrum 1 weight 0.11000E+01 volume 0.21196E-02 ppm1 4.330 ppm2 2.284 CV 1
ASSI { 2311}
(( segid "ocre" and resid 47 and name HA ))
(( segid "ocre" and resid 47 and name HG1 ))
2.600 0.900 0.900 peak 2311 spectrum 1 weight 0.11000E+01 volume 0.65296E-02 ppm1 4.630 ppm2 2.275 CV 1
ASSI { 2313}
(( segid "ocre" and resid 52 and name HA ))
(( segid "ocre" and resid 52 and name HB1 ))
2.800 1.000 1.000 peak 2313 spectrum 1 weight 0.11000E+01 volume 0.39175E-02 ppm1 4.575 ppm2 2.532 CV 1
ASSI { 2314}
(( segid "ocre" and resid 11 and name HA ))
(( segid "ocre" and resid 11 and name HB2 ))
2.700 0.900 0.900 peak 2314 spectrum 1 weight 0.11000E+01 volume 0.45670E-02 ppm1 4.551 ppm2 2.438 CV 1
ASSI { 2316}
(( segid "ocre" and resid 35 and name HD1 ))
(( segid "ocre" and resid 35 and name HB1 ))
3.600 1.700 1.700 peak 2316 spectrum 1 weight 0.11000E+01 volume 0.11772E-02 ppm1 4.315 ppm2 2.286 CV 1
ASSI { 2338}
(( segid "ocre" and resid 59 and name HA ))
(( segid "ocre" and resid 60 and name HG1 ))
4.200 2.200 1.800 peak 2338 spectrum 1 weight 0.11000E+01 volume 0.12188E-02 ppm1 4.493 ppm2 2.130 CV 1
ASSI { 2343}
(( segid "ocre" and resid 54 and name HA ))
(( segid "ocre" and resid 54 and name HB1 ))
2.100 0.600 0.600 peak 2343 spectrum 1 weight 0.11000E+01 volume 0.14052E-01 ppm1 4.120 ppm2 2.045 CV 1
ASSI { 2344}
(( segid "ocre" and resid 3 and name HA ))
(( segid "ocre" and resid 3 and name HB1 ))
2.700 0.900 0.900 peak 2344 spectrum 1 weight 0.11000E+01 volume 0.31525E-02 ppm1 4.461 ppm2 2.066 CV 1
ASSI { 2345}
(( segid "ocre" and resid 63 and name HA ))
(( segid "ocre" and resid 63 and name HB1 ))
2.600 0.900 0.900 peak 2345 spectrum 1 weight 0.11000E+01 volume 0.36136E-02 ppm1 4.332 ppm2 2.127 CV 1
ASSI { 2346}
(( segid "ocre" and resid 63 and name HA ))
(( segid "ocre" and resid 63 and name HB2 ))
3.000 1.100 1.100 peak 2346 spectrum 1 weight 0.11000E+01 volume 0.22663E-02 ppm1 4.329 ppm2 1.949 CV 1
ASSI { 2353}
(( segid "ocre" and resid 52 and name HA ))
(( segid "ocre" and resid 52 and name HB2 ))
2.500 0.800 0.800 peak 2353 spectrum 1 weight 0.11000E+01 volume 0.47052E-02 ppm1 4.576 ppm2 2.131 CV 1
ASSI { 2355}
(( segid "ocre" and resid 35 and name HD1 ))
(( segid "ocre" and resid 35 and name HB2 ))
2.800 1.000 1.000 peak 2355 spectrum 1 weight 0.11000E+01 volume 0.66006E-02 ppm1 4.316 ppm2 2.107 CV 1
ASSI { 2368}
(( segid "ocre" and resid 45 and name HB ))
(( segid "ocre" and resid 47 and name HB1 ))
4.800 2.800 1.200 peak 2368 spectrum 1 weight 0.11000E+01 volume 0.44321E-03 ppm1 4.198 ppm2 1.891 CV 1
ASSI { 2374}
(( segid "ocre" and resid 45 and name HA ))
(( segid "ocre" and resid 47 and name HB2 ))
4.000 2.000 2.000 peak 2374 spectrum 1 weight 0.11000E+01 volume 0.72292E-03 ppm1 4.159 ppm2 1.627 CV 1
ASSI { 2378}
(( segid "ocre" and resid 59 and name HA ))
(( segid "ocre" and resid 60 and name HG2 ))
4.300 2.300 1.700 peak 2378 spectrum 1 weight 0.11000E+01 volume 0.11098E-02 ppm1 4.493 ppm2 1.826 CV 1
ASSI { 2380}
(( segid "ocre" and resid 21 and name HA ))
(( segid "sm_n" and resid 108 and name HB ))
4.800 2.900 1.200 peak 2380 spectrum 1 weight 0.11000E+01 volume 0.23776E-03 ppm1 4.317 ppm2 1.781 CV 1
ASSI { 2381}
(( segid "ocre" and resid 44 and name HA ))
(( segid "ocre" and resid 44 and name HB1 ))
2.500 0.800 0.800 peak 2381 spectrum 1 weight 0.11000E+01 volume 0.52187E-02 ppm1 4.290 ppm2 1.830 CV 1
ASSI { 2382}
(( segid "ocre" and resid 44 and name HA ))
(( segid "ocre" and resid 44 and name HG ))
2.400 0.700 0.700 peak 2382 spectrum 1 weight 0.11000E+01 volume 0.69691E-02 ppm1 4.291 ppm2 1.636 CV 1
ASSI { 2386}
(( segid "ocre" and resid 47 and name HA ))
(( segid "ocre" and resid 47 and name HB1 ))
2.400 0.700 0.700 peak 2386 spectrum 1 weight 0.11000E+01 volume 0.55915E-02 ppm1 4.629 ppm2 1.899 CV 1
ASSI { 2387}
(( segid "ocre" and resid 47 and name HA ))
(( segid "ocre" and resid 47 and name HB2 ))
2.800 1.000 1.000 peak 2387 spectrum 1 weight 0.11000E+01 volume 0.37423E-02 ppm1 4.628 ppm2 1.629 CV 1
ASSI { 2388}
(( segid "ocre" and resid 31 and name HA ))
(( segid "ocre" and resid 31 and name HB1 ))
2.900 1.000 1.000 peak 2388 spectrum 1 weight 0.11000E+01 volume 0.20731E-02 ppm1 4.551 ppm2 1.682 CV 1
ASSI { 2405}
(( segid "ocre" and resid 7 and name HA ))
( segid "ocre" and resid 8 and name HB% )
4.000 2.000 2.000 peak 2405 spectrum 1 weight 0.11000E+01 volume 0.55744E-03 ppm1 4.613 ppm2 1.301 CV 1
ASSI { 2406}
(( segid "ocre" and resid 59 and name HA ))
(( segid "ocre" and resid 59 and name HB ))
2.700 0.900 0.900 peak 2406 spectrum 1 weight 0.11000E+01 volume 0.29299E-02 ppm1 4.491 ppm2 1.340 CV 1
ASSI { 2417}
(( segid "ocre" and resid 62 and name HA ))
( segid "ocre" and resid 62 and name HB% )
2.200 0.600 0.600 peak 2417 spectrum 1 weight 0.11000E+01 volume 0.11798E-01 ppm1 4.412 ppm2 1.452 CV 1
ASSI { 2418}
(( segid "ocre" and resid 8 and name HA ))
( segid "ocre" and resid 8 and name HB% )
2.000 0.500 0.500 peak 2418 spectrum 1 weight 0.11000E+01 volume 0.17089E-01 ppm1 4.314 ppm2 1.304 CV 1
ASSI { 2425}
(( segid "ocre" and resid 14 and name HB ))
( segid "ocre" and resid 14 and name HG2%)
2.100 0.500 0.500 peak 2425 spectrum 1 weight 0.11000E+01 volume 0.15639E-01 ppm1 4.452 ppm2 1.110 CV 1
ASSI { 2427}
(( segid "ocre" and resid 45 and name HB ))
( segid "ocre" and resid 45 and name HG2%)
2.100 0.500 0.500 peak 2427 spectrum 1 weight 0.11000E+01 volume 0.15667E-01 ppm1 4.192 ppm2 0.993 CV 1
ASSI { 2429}
(( segid "ocre" and resid 28 and name HB ))
( segid "ocre" and resid 28 and name HG2%)
2.200 0.600 0.600 peak 2429 spectrum 1 weight 0.11000E+01 volume 0.10597E-01 ppm1 4.248 ppm2 1.216 CV 1
ASSI { 2439}
(( segid "ocre" and resid 14 and name HA ))
( segid "ocre" and resid 14 and name HG2%)
2.300 2.300 3.700 peak 2439 spectrum 1 weight 0.11000E+01 volume 0.12490E-01 ppm1 4.393 ppm2 1.109 CV 1
ASSI { 2441}
(( segid "ocre" and resid 29 and name HA ))
( segid "ocre" and resid 29 and name HG2%)
2.100 2.100 3.900 peak 2441 spectrum 1 weight 0.11000E+01 volume 0.15534E-01 ppm1 4.237 ppm2 1.035 CV 1
ASSI { 2442}
(( segid "ocre" and resid 45 and name HA ))
( segid "ocre" and resid 45 and name HG2%)
2.300 0.700 0.700 peak 2442 spectrum 1 weight 0.11000E+01 volume 0.97638E-02 ppm1 4.164 ppm2 0.993 CV 1
ASSI { 2446}
(( segid "ocre" and resid 7 and name HA ))
( segid "ocre" and resid 29 and name HG2%)
3.900 3.900 2.100 peak 2446 spectrum 1 weight 0.11000E+01 volume 0.37991E-03 ppm1 4.615 ppm2 1.033 CV 1
ASSI { 2462}
(( segid "ocre" and resid 31 and name HA ))
(( segid "ocre" and resid 31 and name HG ))
2.900 1.000 1.000 peak 2462 spectrum 1 weight 0.11000E+01 volume 0.17668E-02 ppm1 4.546 ppm2 1.174 CV 1
ASSI { 2468}
(( segid "ocre" and resid 61 and name HA ))
( segid "ocre" and resid 61 and name HB% )
2.200 2.200 3.800 peak 2468 spectrum 1 weight 0.11000E+01 volume 0.12409E-01 ppm1 4.470 ppm2 1.231 CV 1
ASSI { 2497}
(( segid "ocre" and resid 57 and name HA ))
( segid "ocre" and resid 57 and name HG2%)
3.000 1.100 1.100 peak 2497 spectrum 1 weight 0.11000E+01 volume 0.29720E-02 ppm1 4.190 ppm2 0.750 CV 1
ASSI { 2498}
(( segid "ocre" and resid 59 and name HA ))
( segid "ocre" and resid 59 and name HG1%)
2.400 0.700 0.700 peak 2498 spectrum 1 weight 0.11000E+01 volume 0.67942E-02 ppm1 4.493 ppm2 0.897 CV 1
ASSI { 2499}
(( segid "ocre" and resid 59 and name HA ))
( segid "ocre" and resid 57 and name HG2%)
3.400 1.500 1.500 peak 2499 spectrum 1 weight 0.11000E+01 volume 0.79749E-03 ppm1 4.492 ppm2 0.746 CV 1
ASSI { 2500}
(( segid "ocre" and resid 44 and name HA ))
( segid "ocre" and resid 44 and name HD2%)
2.500 0.800 0.800 peak 2500 spectrum 1 weight 0.11000E+01 volume 0.61748E-02 ppm1 4.291 ppm2 0.850 CV 1
ASSI { 2507}
(( segid "ocre" and resid 52 and name HA ))
( segid "ocre" and resid 59 and name HG1%)
4.500 4.500 1.500 peak 2507 spectrum 1 weight 0.11000E+01 volume 0.32762E-03 ppm1 4.559 ppm2 0.889 CV 1
ASSI { 2519}
(( segid "ocre" and resid 59 and name HA ))
( segid "ocre" and resid 59 and name HG2%)
2.600 2.600 3.400 peak 2519 spectrum 1 weight 0.11000E+01 volume 0.63139E-02 ppm1 4.492 ppm2 0.600 CV 1
ASSI { 2524}
(( segid "ocre" and resid 31 and name HA ))
( segid "ocre" and resid 31 and name HD1%)
2.300 2.300 3.700 peak 2524 spectrum 1 weight 0.11000E+01 volume 0.94910E-02 ppm1 4.549 ppm2 0.587 CV 1
ASSI { 2525}
(( segid "ocre" and resid 52 and name HA ))
( segid "ocre" and resid 59 and name HG2%)
3.300 3.300 2.700 peak 2525 spectrum 1 weight 0.11000E+01 volume 0.18160E-02 ppm1 4.562 ppm2 0.592 CV 1
ASSI { 2534}
(( segid "ocre" and resid 29 and name HA ))
( segid "ocre" and resid 31 and name HD2%)
4.100 4.100 1.900 peak 2534 spectrum 1 weight 0.11000E+01 volume 0.69555E-03 ppm1 4.249 ppm2 -0.080 CV 1
ASSI { 2541}
(( segid "ocre" and resid 31 and name HA ))
( segid "ocre" and resid 31 and name HD2%)
3.600 1.700 1.700 peak 2541 spectrum 1 weight 0.11000E+01 volume 0.14514E-02 ppm1 4.549 ppm2 -0.077 CV 1
ASSI { 2550}
(( segid "ocre" and resid 43 and name HB1 ))
( segid "ocre" and resid 32 and name HD% )
3.900 3.900 2.100 peak 2550 spectrum 1 weight 0.11000E+01 volume 0.37597E-03 ppm1 4.072 ppm2 7.288 CV 1
ASSI { 2552}
(( segid "ocre" and resid 43 and name HB2 ))
( segid "ocre" and resid 32 and name HD% )
3.900 3.900 2.100 peak 2552 spectrum 1 weight 0.11000E+01 volume 0.75660E-03 ppm1 3.826 ppm2 7.288 CV 1
ASSI { 2554}
(( segid "ocre" and resid 43 and name HA ))
( segid "ocre" and resid 32 and name HD% )
5.200 5.200 0.800 peak 2554 spectrum 1 weight 0.11000E+01 volume 0.19771E-03 ppm1 3.808 ppm2 7.276 CV 1
ASSI { 2555}
(( segid "ocre" and resid 35 and name HD2 ))
( segid "ocre" and resid 24 and name HD% )
3.600 1.600 1.600 peak 2555 spectrum 1 weight 0.11000E+01 volume 0.14425E-02 ppm1 4.078 ppm2 7.238 CV 1
ASSI { 2561}
(( segid "ocre" and resid 37 and name HB1 ))
( segid "ocre" and resid 39 and name HD% )
2.900 2.900 3.100 peak 2561 spectrum 1 weight 0.11000E+01 volume 0.16943E-02 ppm1 3.703 ppm2 7.198 CV 1
ASSI { 2563}
(( segid "ocre" and resid 17 and name HA ))
( segid "ocre" and resid 24 and name HE% )
3.700 3.700 2.300 peak 2563 spectrum 1 weight 0.11000E+01 volume 0.57863E-03 ppm1 3.942 ppm2 6.983 CV 1
ASSI { 2566}
(( segid "ocre" and resid 35 and name HD2 ))
( segid "ocre" and resid 24 and name HE% )
3.700 1.800 1.800 peak 2566 spectrum 1 weight 0.11000E+01 volume 0.71526E-03 ppm1 4.078 ppm2 6.973 CV 1
ASSI { 2567}
(( segid "ocre" and resid 22 and name HA1 ))
( segid "ocre" and resid 23 and name HD% )
4.500 2.500 1.500 peak 2567 spectrum 1 weight 0.11000E+01 volume 0.13643E-03 ppm1 4.068 ppm2 6.940 CV 1
ASSI { 2568}
(( segid "ocre" and resid 53 and name HA1 ))
(( segid "ocre" and resid 51 and name HZ2 ))
4.700 2.800 1.300 peak 2568 spectrum 1 weight 0.11000E+01 volume 0.45058E-03 ppm1 3.783 ppm2 7.125 CV 1
ASSI { 2569}
(( segid "ocre" and resid 22 and name HA2 ))
( segid "ocre" and resid 23 and name HD% )
4.800 2.900 1.200 peak 2569 spectrum 1 weight 0.11000E+01 volume 0.15676E-03 ppm1 3.672 ppm2 6.947 CV 1
ASSI { 2570}
(( segid "ocre" and resid 53 and name HA2 ))
(( segid "ocre" and resid 51 and name HZ2 ))
3.400 1.400 1.400 peak 2570 spectrum 1 weight 0.11000E+01 volume 0.74399E-03 ppm1 3.560 ppm2 7.125 CV 1
ASSI { 2572}
(( segid "ocre" and resid 39 and name HB1 ))
( segid "ocre" and resid 39 and name HD% )
2.700 0.900 0.900 peak 2572 spectrum 1 weight 0.11000E+01 volume 0.29912E-02 ppm1 3.575 ppm2 7.225 CV 1
ASSI { 2573}
(( segid "ocre" and resid 29 and name HB ))
( segid "ocre" and resid 7 and name HE% )
4.300 4.300 1.700 peak 2573 spectrum 1 weight 0.11000E+01 volume 0.21401E-03 ppm1 3.804 ppm2 6.825 CV 1
ASSI { 2578}
(( segid "ocre" and resid 43 and name HB1 ))
( segid "ocre" and resid 32 and name HE% )
3.200 3.200 2.800 peak 2578 spectrum 1 weight 0.11000E+01 volume 0.71969E-03 ppm1 4.073 ppm2 6.793 CV 1
ASSI { 2582}
(( segid "ocre" and resid 37 and name HB1 ))
( segid "ocre" and resid 39 and name HE% )
3.300 3.300 2.700 peak 2582 spectrum 1 weight 0.11000E+01 volume 0.76826E-03 ppm1 3.705 ppm2 6.737 CV 1
ASSI { 2583}
(( segid "ocre" and resid 43 and name HA ))
( segid "ocre" and resid 32 and name HE% )
5.200 5.200 0.800 peak 2583 spectrum 1 weight 0.11000E+01 volume 0.22517E-03 ppm1 3.810 ppm2 6.798 CV 1
ASSI { 2584}
(( segid "ocre" and resid 9 and name HA ))
(( segid "ocre" and resid 51 and name HH2 ))
4.100 2.100 1.900 peak 2584 spectrum 1 weight 0.11000E+01 volume 0.42356E-03 ppm1 3.797 ppm2 6.684 CV 1
ASSI { 2595}
(( segid "ocre" and resid 39 and name HB1 ))
( segid "ocre" and resid 39 and name HE% )
4.600 2.700 1.400 peak 2595 spectrum 1 weight 0.11000E+01 volume 0.37115E-03 ppm1 3.571 ppm2 6.741 CV 1
ASSI { 2605}
(( segid "ocre" and resid 35 and name HA ))
( segid "ocre" and resid 33 and name HE% )
2.400 2.400 3.600 peak 2605 spectrum 1 weight 0.11000E+01 volume 0.69942E-02 ppm1 3.941 ppm2 6.376 CV 1
ASSI { 2607}
(( segid "ocre" and resid 17 and name HA ))
( segid "ocre" and resid 17 and name HE% )
4.000 2.000 2.000 peak 2607 spectrum 1 weight 0.11000E+01 volume 0.65571E-03 ppm1 3.943 ppm2 6.507 CV 1
ASSI { 2610}
(( segid "ocre" and resid 38 and name HA ))
( segid "ocre" and resid 33 and name HE% )
2.700 2.700 3.300 peak 2610 spectrum 1 weight 0.11000E+01 volume 0.32419E-02 ppm1 3.665 ppm2 6.365 CV 1
ASSI { 2611}
(( segid "ocre" and resid 19 and name HA ))
( segid "ocre" and resid 17 and name HE% )
2.500 0.800 0.800 peak 2611 spectrum 1 weight 0.11000E+01 volume 0.49935E-02 ppm1 3.616 ppm2 6.507 CV 1
ASSI { 2618}
(( segid "ocre" and resid 22 and name HA2 ))
( segid "ocre" and resid 17 and name HE% )
3.000 1.200 1.200 peak 2618 spectrum 1 weight 0.11000E+01 volume 0.15791E-02 ppm1 3.670 ppm2 6.508 CV 1
ASSI { 2631}
(( segid "ocre" and resid 43 and name HB1 ))
( segid "ocre" and resid 41 and name HE% )
2.900 1.000 1.000 peak 2631 spectrum 1 weight 0.11000E+01 volume 0.14122E-02 ppm1 4.075 ppm2 6.141 CV 1
ASSI { 2633}
(( segid "ocre" and resid 43 and name HB2 ))
( segid "ocre" and resid 41 and name HE% )
3.300 1.300 1.300 peak 2633 spectrum 1 weight 0.11000E+01 volume 0.15858E-02 ppm1 3.827 ppm2 6.141 CV 1
ASSI { 2636}
(( segid "ocre" and resid 43 and name HA ))
( segid "ocre" and resid 41 and name HE% )
2.300 0.600 0.600 peak 2636 spectrum 1 weight 0.11000E+01 volume 0.44987E-02 ppm1 3.807 ppm2 6.141 CV 1
ASSI { 2637}
(( segid "ocre" and resid 19 and name HA ))
( segid "ocre" and resid 17 and name HD% )
3.400 1.500 1.500 peak 2637 spectrum 1 weight 0.11000E+01 volume 0.11050E-02 ppm1 3.615 ppm2 6.194 CV 1
ASSI { 2640}
(( segid "ocre" and resid 27 and name HD1 ))
( segid "ocre" and resid 25 and name HD% )
3.300 3.300 2.700 peak 2640 spectrum 1 weight 0.11000E+01 volume 0.80528E-03 ppm1 4.021 ppm2 6.062 CV 1
ASSI { 2645}
(( segid "ocre" and resid 29 and name HB ))
( segid "ocre" and resid 58 and name HE% )
4.500 4.500 1.500 peak 2645 spectrum 1 weight 0.11000E+01 volume 0.18830E-03 ppm1 3.811 ppm2 5.795 CV 1
ASSI { 2648}
(( segid "ocre" and resid 35 and name HA ))
( segid "ocre" and resid 33 and name HD% )
4.100 2.100 1.900 peak 2648 spectrum 1 weight 0.11000E+01 volume 0.42211E-03 ppm1 3.944 ppm2 5.966 CV 1
ASSI { 2649}
(( segid "ocre" and resid 43 and name HB2 ))
( segid "ocre" and resid 41 and name HD% )
4.400 2.400 1.600 peak 2649 spectrum 1 weight 0.11000E+01 volume 0.61766E-03 ppm1 3.827 ppm2 5.835 CV 1
ASSI { 2652}
(( segid "ocre" and resid 38 and name HA ))
( segid "ocre" and resid 33 and name HD% )
4.200 4.200 1.800 peak 2652 spectrum 1 weight 0.11000E+01 volume 0.39352E-03 ppm1 3.670 ppm2 5.962 CV 1
ASSI { 2662}
(( segid "ocre" and resid 60 and name HD2 ))
(( segid "ocre" and resid 49 and name HA ))
3.500 1.500 1.500 peak 2662 spectrum 1 weight 0.11000E+01 volume 0.17084E-03 ppm1 3.646 ppm2 5.481 CV 1
ASSI { 2666}
(( segid "ocre" and resid 39 and name HB1 ))
(( segid "ocre" and resid 48 and name HA ))
5.100 3.300 0.900 peak 2666 spectrum 1 weight 0.11000E+01 volume 0.25120E-03 ppm1 3.577 ppm2 5.585 CV 1
ASSI { 2676}
(( segid "ocre" and resid 35 and name HD2 ))
(( segid "ocre" and resid 23 and name HA ))
3.300 1.300 1.300 peak 2676 spectrum 1 weight 0.11000E+01 volume 0.10897E-02 ppm1 4.078 ppm2 5.155 CV 1
ASSI { 2677}
(( segid "ocre" and resid 22 and name HA1 ))
(( segid "ocre" and resid 23 and name HA ))
4.700 2.700 1.300 peak 2677 spectrum 1 weight 0.11000E+01 volume 0.16038E-03 ppm1 4.053 ppm2 5.147 CV 1
ASSI { 2679}
(( segid "ocre" and resid 22 and name HA2 ))
(( segid "ocre" and resid 23 and name HA ))
4.600 2.600 1.400 peak 2679 spectrum 1 weight 0.11000E+01 volume 0.16570E-03 ppm1 3.676 ppm2 5.155 CV 1
ASSI { 2684}
(( segid "ocre" and resid 39 and name HB1 ))
(( segid "ocre" and resid 39 and name HA ))
2.900 1.000 1.000 peak 2684 spectrum 1 weight 0.11000E+01 volume 0.22879E-02 ppm1 3.575 ppm2 5.331 CV 1
ASSI { 2693}
(( segid "ocre" and resid 43 and name HB1 ))
(( segid "ocre" and resid 42 and name HA ))
5.300 3.500 0.700 peak 2693 spectrum 1 weight 0.11000E+01 volume 0.16437E-03 ppm1 4.074 ppm2 4.819 CV 1
ASSI { 2701}
(( segid "ocre" and resid 43 and name HA ))
(( segid "ocre" and resid 42 and name HA ))
4.600 2.600 1.400 peak 2701 spectrum 1 weight 0.11000E+01 volume 0.23995E-03 ppm1 3.805 ppm2 4.820 CV 1
ASSI { 2715}
(( segid "ocre" and resid 35 and name HD2 ))
(( segid "ocre" and resid 34 and name HA ))
2.500 0.800 0.800 peak 2715 spectrum 1 weight 0.11000E+01 volume 0.52515E-02 ppm1 4.072 ppm2 4.957 CV 1
ASSI { 2746}
(( segid "ocre" and resid 43 and name HA ))
(( segid "sm_n" and resid 102 and name HA ))
5.000 3.200 1.000 peak 2746 spectrum 1 weight 0.11000E+01 volume 0.17406E-03 ppm1 3.799 ppm2 4.587 CV 1
ASSI { 2757}
(( segid "ocre" and resid 27 and name HD1 ))
(( segid "ocre" and resid 26 and name HA ))
2.000 0.500 0.500 peak 2757 spectrum 1 weight 0.11000E+01 volume 0.83972E-02 ppm1 4.023 ppm2 4.649 CV 1
ASSI { 2778}
(( segid "ocre" and resid 57 and name HB ))
(( segid "ocre" and resid 57 and name HA ))
2.500 0.800 0.800 peak 2778 spectrum 1 weight 0.11000E+01 volume 0.51234E-02 ppm1 3.869 ppm2 4.197 CV 1
ASSI { 2810}
(( segid "ocre" and resid 35 and name HD2 ))
(( segid "ocre" and resid 35 and name HD1 ))
2.000 0.500 0.500 peak 2810 spectrum 1 weight 0.11000E+01 volume 0.93986E-02 ppm1 4.078 ppm2 4.316 CV 1
ASSI { 2854}
(( segid "ocre" and resid 43 and name HA ))
(( segid "ocre" and resid 43 and name HB1 ))
2.300 0.700 0.700 peak 2854 spectrum 1 weight 0.11000E+01 volume 0.58416E-02 ppm1 3.807 ppm2 4.075 CV 1
ASSI { 2857}
(( segid "ocre" and resid 38 and name HA ))
(( segid "ocre" and resid 35 and name HA ))
3.100 1.200 1.200 peak 2857 spectrum 1 weight 0.11000E+01 volume 0.15377E-02 ppm1 3.663 ppm2 3.944 CV 1
ASSI { 2876}
(( segid "ocre" and resid 22 and name HA2 ))
(( segid "ocre" and resid 22 and name HA1 ))
1.900 0.500 0.500 peak 2876 spectrum 1 weight 0.11000E+01 volume 0.13914E-01 ppm1 3.668 ppm2 4.056 CV 1
ASSI { 2947}
(( segid "ocre" and resid 43 and name HB1 ))
(( segid "ocre" and resid 46 and name HA ))
4.800 2.900 1.200 peak 2947 spectrum 1 weight 0.11000E+01 volume 0.32647E-03 ppm1 4.072 ppm2 3.546 CV 1
ASSI { 2968}
(( segid "ocre" and resid 60 and name HD1 ))
(( segid "ocre" and resid 60 and name HD2 ))
1.800 0.400 0.400 peak 2968 spectrum 1 weight 0.11000E+01 volume 0.15495E-01 ppm1 3.792 ppm2 3.649 CV 1
ASSI { 2990}
(( segid "ocre" and resid 53 and name HA1 ))
(( segid "ocre" and resid 53 and name HA2 ))
2.000 0.500 0.500 peak 2990 spectrum 1 weight 0.11000E+01 volume 0.11694E-01 ppm1 3.783 ppm2 3.561 CV 1
ASSI { 3071}
(( segid "ocre" and resid 27 and name HD1 ))
(( segid "ocre" and resid 15 and name HB1 ))
4.700 2.800 1.300 peak 3071 spectrum 1 weight 0.11000E+01 volume 0.24808E-03 ppm1 4.035 ppm2 3.182 CV 1
ASSI { 3082}
(( segid "ocre" and resid 43 and name HB1 ))
(( segid "sm_n" and resid 102 and name HD1 ))
4.600 2.600 1.400 peak 3082 spectrum 1 weight 0.11000E+01 volume 0.12244E-03 ppm1 4.082 ppm2 3.098 CV 1
ASSI { 3088}
(( segid "ocre" and resid 55 and name HA ))
(( segid "ocre" and resid 55 and name HE1 ))
4.400 2.400 1.600 peak 3088 spectrum 1 weight 0.11000E+01 volume 0.43557E-03 ppm1 3.968 ppm2 2.873 CV 1
ASSI { 3091}
(( segid "ocre" and resid 53 and name HA2 ))
(( segid "ocre" and resid 56 and name HA ))
3.400 1.500 1.500 peak 3091 spectrum 1 weight 0.11000E+01 volume 0.65172E-03 ppm1 3.561 ppm2 2.986 CV 1
ASSI { 3103}
(( segid "ocre" and resid 39 and name HB1 ))
(( segid "ocre" and resid 39 and name HB2 ))
2.100 0.500 0.500 peak 3103 spectrum 1 weight 0.11000E+01 volume 0.78737E-02 ppm1 3.575 ppm2 3.036 CV 1
ASSI { 3117}
(( segid "ocre" and resid 17 and name HA ))
(( segid "ocre" and resid 17 and name HB1 ))
3.000 1.100 1.100 peak 3117 spectrum 1 weight 0.11000E+01 volume 0.30486E-02 ppm1 3.943 ppm2 2.789 CV 1
ASSI { 3129}
(( segid "ocre" and resid 39 and name HB1 ))
(( segid "ocre" and resid 48 and name HB1 ))
3.700 1.700 1.700 peak 3129 spectrum 1 weight 0.11000E+01 volume 0.95123E-03 ppm1 3.577 ppm2 2.760 CV 1
ASSI { 3144}
(( segid "ocre" and resid 12 and name HB ))
(( segid "ocre" and resid 12 and name HA ))
2.800 1.000 1.000 peak 3144 spectrum 1 weight 0.11000E+01 volume 0.22509E-02 ppm1 3.616 ppm2 2.466 CV 1
ASSI { 3153}
(( segid "ocre" and resid 35 and name HA ))
(( segid "ocre" and resid 35 and name HB1 ))
2.300 0.700 0.700 peak 3153 spectrum 1 weight 0.11000E+01 volume 0.66279E-02 ppm1 3.944 ppm2 2.287 CV 1
ASSI { 3156}
(( segid "ocre" and resid 9 and name HA ))
(( segid "ocre" and resid 10 and name HD1 ))
2.500 0.800 0.800 peak 3156 spectrum 1 weight 0.11000E+01 volume 0.33268E-02 ppm1 3.798 ppm2 2.464 CV 1
ASSI { 3158}
(( segid "ocre" and resid 38 and name HA ))
(( segid "ocre" and resid 38 and name HB1 ))
2.300 0.700 0.700 peak 3158 spectrum 1 weight 0.11000E+01 volume 0.72233E-02 ppm1 3.666 ppm2 2.438 CV 1
ASSI { 3159}
(( segid "ocre" and resid 19 and name HA ))
(( segid "ocre" and resid 19 and name HG1 ))
2.600 0.800 0.800 peak 3159 spectrum 1 weight 0.11000E+01 volume 0.41962E-02 ppm1 3.617 ppm2 2.323 CV 1
ASSI { 3163}
(( segid "ocre" and resid 55 and name HA ))
(( segid "ocre" and resid 52 and name HB1 ))
5.200 3.400 0.800 peak 3163 spectrum 1 weight 0.11000E+01 volume 0.14134E-03 ppm1 3.953 ppm2 2.524 CV 1
ASSI { 3168}
(( segid "ocre" and resid 60 and name HD1 ))
(( segid "ocre" and resid 60 and name HB1 ))
3.400 1.400 1.400 peak 3168 spectrum 1 weight 0.11000E+01 volume 0.11865E-02 ppm1 3.788 ppm2 2.312 CV 1
ASSI { 3170}
(( segid "ocre" and resid 60 and name HD2 ))
(( segid "ocre" and resid 60 and name HB1 ))
3.500 1.600 1.600 peak 3170 spectrum 1 weight 0.11000E+01 volume 0.16359E-02 ppm1 3.645 ppm2 2.314 CV 1
ASSI { 3198}
(( segid "ocre" and resid 35 and name HA ))
(( segid "ocre" and resid 35 and name HB2 ))
2.500 0.800 0.800 peak 3198 spectrum 1 weight 0.11000E+01 volume 0.82055E-02 ppm1 3.943 ppm2 2.067 CV 1
ASSI { 3204}
(( segid "ocre" and resid 9 and name HA ))
(( segid "ocre" and resid 10 and name HD2 ))
2.800 1.000 1.000 peak 3204 spectrum 1 weight 0.11000E+01 volume 0.36449E-02 ppm1 3.799 ppm2 2.101 CV 1
ASSI { 3207}
(( segid "ocre" and resid 38 and name HA ))
(( segid "ocre" and resid 38 and name HG2 ))
2.600 0.900 0.900 peak 3207 spectrum 1 weight 0.11000E+01 volume 0.34638E-02 ppm1 3.666 ppm2 2.109 CV 1
ASSI { 3208}
(( segid "ocre" and resid 19 and name HA ))
(( segid "ocre" and resid 19 and name HB1 ))
2.200 0.600 0.600 peak 3208 spectrum 1 weight 0.11000E+01 volume 0.13625E-01 ppm1 3.616 ppm2 2.001 CV 1
ASSI { 3219}
(( segid "ocre" and resid 27 and name HD1 ))
(( segid "ocre" and resid 27 and name HG1 ))
2.000 0.500 0.500 peak 3219 spectrum 1 weight 0.11000E+01 volume 0.10244E-01 ppm1 4.034 ppm2 2.071 CV 1
ASSI { 3220}
(( segid "ocre" and resid 60 and name HD1 ))
(( segid "ocre" and resid 60 and name HG1 ))
2.500 0.800 0.800 peak 3220 spectrum 1 weight 0.11000E+01 volume 0.36520E-02 ppm1 3.788 ppm2 2.129 CV 1
ASSI { 3222}
(( segid "ocre" and resid 60 and name HD2 ))
(( segid "ocre" and resid 60 and name HG1 ))
2.800 1.000 1.000 peak 3222 spectrum 1 weight 0.11000E+01 volume 0.51296E-02 ppm1 3.645 ppm2 2.129 CV 1
ASSI { 3252}
(( segid "ocre" and resid 29 and name HB ))
(( segid "ocre" and resid 31 and name HB1 ))
4.500 2.500 1.500 peak 3252 spectrum 1 weight 0.11000E+01 volume 0.59230E-03 ppm1 3.803 ppm2 1.683 CV 1
ASSI { 3253}
(( segid "ocre" and resid 57 and name HB ))
(( segid "ocre" and resid 55 and name HB1 ))
4.400 2.500 1.600 peak 3253 spectrum 1 weight 0.11000E+01 volume 0.49760E-03 ppm1 3.865 ppm2 1.657 CV 1
ASSI { 3258}
(( segid "ocre" and resid 43 and name HB1 ))
(( segid "sm_n" and resid 103 and name HB2 ))
4.700 4.700 1.300 peak 3258 spectrum 1 weight 0.11000E+01 volume 0.43069E-03 ppm1 4.077 ppm2 1.838 CV 1
ASSI { 3259}
(( segid "ocre" and resid 43 and name HB1 ))
(( segid "sm_n" and resid 102 and name HG1 ))
4.600 2.600 1.400 peak 3259 spectrum 1 weight 0.11000E+01 volume 0.20602E-03 ppm1 4.077 ppm2 1.622 CV 1
ASSI { 3261}
(( segid "ocre" and resid 10 and name HA ))
(( segid "ocre" and resid 10 and name HB1 ))
2.300 0.700 0.700 peak 3261 spectrum 1 weight 0.11000E+01 volume 0.64036E-02 ppm1 3.870 ppm2 1.803 CV 1
ASSI { 3265}
(( segid "ocre" and resid 37 and name HB2 ))
(( segid "sm_n" and resid 106 and name HG1 ))
4.400 2.500 1.600 peak 3265 spectrum 1 weight 0.11000E+01 volume 0.48908E-03 ppm1 3.676 ppm2 1.914 CV 1
ASSI { 3268}
(( segid "ocre" and resid 9 and name HA ))
(( segid "ocre" and resid 9 and name HB ))
2.800 1.000 1.000 peak 3268 spectrum 1 weight 0.11000E+01 volume 0.24061E-02 ppm1 3.796 ppm2 1.863 CV 1
ASSI { 3291}
(( segid "ocre" and resid 29 and name HB ))
(( segid "ocre" and resid 31 and name HB2 ))
3.700 1.700 1.700 peak 3291 spectrum 1 weight 0.11000E+01 volume 0.47064E-03 ppm1 3.806 ppm2 1.396 CV 1
ASSI { 3295}
(( segid "ocre" and resid 10 and name HA ))
(( segid "ocre" and resid 10 and name HB2 ))
2.900 1.100 1.100 peak 3295 spectrum 1 weight 0.11000E+01 volume 0.34742E-02 ppm1 3.871 ppm2 1.311 CV 1
ASSI { 3303}
(( segid "ocre" and resid 60 and name HD1 ))
(( segid "ocre" and resid 59 and name HB ))
3.900 1.900 1.900 peak 3303 spectrum 1 weight 0.11000E+01 volume 0.11786E-02 ppm1 3.790 ppm2 1.340 CV 1
ASSI { 3304}
(( segid "ocre" and resid 60 and name HD2 ))
(( segid "ocre" and resid 59 and name HB ))
2.900 1.100 1.100 peak 3304 spectrum 1 weight 0.11000E+01 volume 0.21137E-02 ppm1 3.645 ppm2 1.341 CV 1
ASSI { 3312}
(( segid "ocre" and resid 29 and name HB ))
( segid "ocre" and resid 29 and name HG2%)
2.200 0.600 0.600 peak 3312 spectrum 1 weight 0.11000E+01 volume 0.11853E-01 ppm1 3.807 ppm2 1.037 CV 1
ASSI { 3333}
(( segid "ocre" and resid 55 and name HA ))
(( segid "ocre" and resid 55 and name HD2 ))
2.700 0.900 0.900 peak 3333 spectrum 1 weight 0.11000E+01 volume 0.43404E-02 ppm1 3.969 ppm2 1.210 CV 1
ASSI { 3334}
(( segid "ocre" and resid 55 and name HA ))
(( segid "ocre" and resid 55 and name HB2 ))
3.000 1.100 1.100 peak 3334 spectrum 1 weight 0.11000E+01 volume 0.27693E-02 ppm1 3.969 ppm2 1.087 CV 1
ASSI { 3336}
(( segid "ocre" and resid 27 and name HD1 ))
(( segid "ocre" and resid 26 and name HB2 ))
4.400 2.400 1.600 peak 3336 spectrum 1 weight 0.11000E+01 volume 0.80495E-03 ppm1 4.025 ppm2 1.089 CV 1
ASSI { 3362}
(( segid "ocre" and resid 57 and name HB ))
( segid "ocre" and resid 57 and name HG2%)
2.200 0.600 0.600 peak 3362 spectrum 1 weight 0.11000E+01 volume 0.97961E-02 ppm1 3.868 ppm2 0.750 CV 1
ASSI { 3366}
(( segid "ocre" and resid 43 and name HB1 ))
( segid "ocre" and resid 44 and name HD2%)
3.900 3.900 2.100 peak 3366 spectrum 1 weight 0.11000E+01 volume 0.53441E-03 ppm1 4.078 ppm2 0.846 CV 1
ASSI { 3378}
(( segid "ocre" and resid 9 and name HA ))
( segid "ocre" and resid 9 and name HG1%)
2.700 0.900 0.900 peak 3378 spectrum 1 weight 0.11000E+01 volume 0.34147E-02 ppm1 3.797 ppm2 0.957 CV 1
ASSI { 3382}
(( segid "ocre" and resid 55 and name HA ))
( segid "ocre" and resid 57 and name HG2%)
4.000 2.000 2.000 peak 3382 spectrum 1 weight 0.11000E+01 volume 0.79344E-03 ppm1 3.968 ppm2 0.752 CV 1
ASSI { 3401}
(( segid "ocre" and resid 29 and name HB ))
( segid "ocre" and resid 31 and name HD1%)
3.200 1.200 1.200 peak 3401 spectrum 1 weight 0.11000E+01 volume 0.11672E-02 ppm1 3.806 ppm2 0.587 CV 1
ASSI { 3410}
(( segid "ocre" and resid 10 and name HA ))
( segid "ocre" and resid 12 and name HG2%)
4.400 4.400 1.600 peak 3410 spectrum 1 weight 0.11000E+01 volume 0.33795E-03 ppm1 3.870 ppm2 0.587 CV 1
ASSI { 3441}
(( segid "ocre" and resid 29 and name HB ))
( segid "ocre" and resid 31 and name HD2%)
3.000 3.000 3.000 peak 3441 spectrum 1 weight 0.11000E+01 volume 0.25802E-02 ppm1 3.804 ppm2 -0.077 CV 1
ASSI { 3449}
(( segid "ocre" and resid 23 and name HB1 ))
( segid "ocre" and resid 32 and name HD% )
4.200 2.200 1.800 peak 3449 spectrum 1 weight 0.11000E+01 volume 0.13161E-02 ppm1 3.451 ppm2 7.286 CV 1
ASSI { 3455}
(( segid "ocre" and resid 21 and name HB1 ))
( segid "ocre" and resid 23 and name HD% )
3.200 1.300 1.300 peak 3455 spectrum 1 weight 0.11000E+01 volume 0.10701E-02 ppm1 3.496 ppm2 6.939 CV 1
ASSI { 3460}
(( segid "ocre" and resid 23 and name HB1 ))
( segid "ocre" and resid 23 and name HD% )
3.200 1.300 1.300 peak 3460 spectrum 1 weight 0.11000E+01 volume 0.13117E-02 ppm1 3.450 ppm2 6.940 CV 1
ASSI { 3467}
(( segid "ocre" and resid 50 and name HB1 ))
( segid "ocre" and resid 50 and name HE% )
4.100 2.100 1.900 peak 3467 spectrum 1 weight 0.11000E+01 volume 0.89796E-03 ppm1 3.304 ppm2 6.763 CV 1
ASSI { 3469}
(( segid "ocre" and resid 50 and name HB2 ))
( segid "ocre" and resid 50 and name HE% )
3.800 1.800 1.800 peak 3469 spectrum 1 weight 0.11000E+01 volume 0.12764E-02 ppm1 3.056 ppm2 6.757 CV 1
ASSI { 3473}
(( segid "ocre" and resid 15 and name HB1 ))
( segid "ocre" and resid 15 and name HD% )
2.700 0.900 0.900 peak 3473 spectrum 1 weight 0.11000E+01 volume 0.16817E-02 ppm1 3.211 ppm2 6.816 CV 1
ASSI { 3475}
(( segid "ocre" and resid 21 and name HB1 ))
( segid "ocre" and resid 23 and name HE% )
3.600 3.600 2.400 peak 3475 spectrum 1 weight 0.11000E+01 volume 0.41835E-03 ppm1 3.500 ppm2 6.565 CV 1
ASSI { 3479}
(( segid "ocre" and resid 23 and name HB1 ))
( segid "ocre" and resid 23 and name HE% )
4.600 2.700 1.400 peak 3479 spectrum 1 weight 0.11000E+01 volume 0.25327E-03 ppm1 3.451 ppm2 6.566 CV 1
ASSI { 3480}
(( segid "ocre" and resid 7 and name HB1 ))
( segid "ocre" and resid 58 and name HD% )
4.900 4.900 1.100 peak 3480 spectrum 1 weight 0.11000E+01 volume 0.13155E-03 ppm1 3.239 ppm2 6.426 CV 1
ASSI { 3490}
(( segid "ocre" and resid 46 and name HA ))
( segid "ocre" and resid 41 and name HD% )
4.500 2.500 1.500 peak 3490 spectrum 1 weight 0.11000E+01 volume 0.31685E-03 ppm1 3.551 ppm2 5.840 CV 1
ASSI { 3494}
(( segid "ocre" and resid 32 and name HB1 ))
( segid "ocre" and resid 41 and name HD% )
3.400 3.400 2.600 peak 3494 spectrum 1 weight 0.11000E+01 volume 0.10683E-02 ppm1 3.099 ppm2 5.830 CV 1
ASSI { 3496}
(( segid "ocre" and resid 7 and name HB1 ))
( segid "ocre" and resid 58 and name HE% )
3.700 3.700 2.300 peak 3496 spectrum 1 weight 0.11000E+01 volume 0.43016E-03 ppm1 3.234 ppm2 5.797 CV 1
ASSI { 3512}
(( segid "ocre" and resid 51 and name HB1 ))
(( segid "ocre" and resid 51 and name HE3 ))
5.000 3.100 1.000 peak 3512 spectrum 1 weight 0.11000E+01 volume 0.28443E-03 ppm1 3.209 ppm2 5.361 CV 1
ASSI { 3530}
(( segid "ocre" and resid 23 and name HB1 ))
(( segid "ocre" and resid 34 and name HA ))
4.100 2.100 1.900 peak 3530 spectrum 1 weight 0.11000E+01 volume 0.17148E-03 ppm1 3.445 ppm2 4.956 CV 1
ASSI { 3532}
(( segid "ocre" and resid 23 and name HB2 ))
(( segid "ocre" and resid 34 and name HA ))
5.800 4.200 0.200 peak 3532 spectrum 1 weight 0.11000E+01 volume 0.13403E-03 ppm1 3.093 ppm2 4.940 CV 1
ASSI { 3535}
(( segid "ocre" and resid 51 and name HB1 ))
(( segid "ocre" and resid 58 and name HA ))
5.500 3.800 0.500 peak 3535 spectrum 1 weight 0.11000E+01 volume 0.14664E-03 ppm1 3.207 ppm2 4.899 CV 1
ASSI { 3578}
(( segid "ocre" and resid 24 and name HB1 ))
(( segid "ocre" and resid 17 and name HA ))
4.900 3.000 1.100 peak 3578 spectrum 1 weight 0.11000E+01 volume 0.16103E-03 ppm1 3.359 ppm2 3.943 CV 1
ASSI { 3637}
(( segid "ocre" and resid 23 and name HB2 ))
(( segid "ocre" and resid 23 and name HB1 ))
2.000 0.500 0.500 peak 3637 spectrum 1 weight 0.11000E+01 volume 0.77080E-02 ppm1 3.102 ppm2 3.455 CV 1
ASSI { 3705}
(( segid "ocre" and resid 7 and name HB1 ))
(( segid "ocre" and resid 7 and name HB2 ))
2.000 2.000 4.000 peak 3705 spectrum 1 weight 0.11000E+01 volume 0.10814E-01 ppm1 3.236 ppm2 2.846 CV 1
ASSI { 3713}
(( segid "ocre" and resid 46 and name HA ))
(( segid "ocre" and resid 46 and name HB1 ))
2.800 1.000 1.000 peak 3713 spectrum 1 weight 0.11000E+01 volume 0.28917E-02 ppm1 3.552 ppm2 2.353 CV 1
ASSI { 3715}
(( segid "ocre" and resid 24 and name HB1 ))
(( segid "ocre" and resid 33 and name HB2 ))
4.300 2.300 1.700 peak 3715 spectrum 1 weight 0.11000E+01 volume 0.92847E-03 ppm1 3.350 ppm2 2.454 CV 1
ASSI { 3716}
(( segid "ocre" and resid 32 and name HB1 ))
(( segid "ocre" and resid 41 and name HB2 ))
4.000 4.000 2.000 peak 3716 spectrum 1 weight 0.11000E+01 volume 0.18201E-02 ppm1 3.115 ppm2 2.468 CV 1
ASSI { 3733}
(( segid "ocre" and resid 46 and name HA ))
(( segid "ocre" and resid 46 and name HG1 ))
2.200 0.600 0.600 peak 3733 spectrum 1 weight 0.11000E+01 volume 0.80371E-02 ppm1 3.552 ppm2 2.192 CV 1
ASSI { 3746}
(( segid "ocre" and resid 42 and name HB1 ))
(( segid "ocre" and resid 42 and name HB2 ))
1.900 0.400 0.400 peak 3746 spectrum 1 weight 0.11000E+01 volume 0.13766E-01 ppm1 3.063 ppm2 2.037 CV 1
ASSI { 3758}
(( segid "ocre" and resid 21 and name HB1 ))
(( segid "sm_n" and resid 104 and name HG1 ))
4.400 2.500 1.600 peak 3758 spectrum 1 weight 0.11000E+01 volume 0.62006E-03 ppm1 3.502 ppm2 1.905 CV 1
ASSI { 3767}
(( segid "ocre" and resid 42 and name HB1 ))
(( segid "ocre" and resid 47 and name HB2 ))
2.900 1.100 1.100 peak 3767 spectrum 1 weight 0.11000E+01 volume 0.13110E-02 ppm1 3.064 ppm2 1.627 CV 1
ASSI { 3768}
(( segid "ocre" and resid 21 and name HB1 ))
(( segid "sm_n" and resid 108 and name HG11))
5.400 3.700 0.600 peak 3768 spectrum 1 weight 0.11000E+01 volume 0.16503E-03 ppm1 3.499 ppm2 1.366 CV 1
ASSI { 3783}
(( segid "ocre" and resid 21 and name HB1 ))
(( segid "sm_n" and resid 108 and name HD11))
4.700 2.800 1.300 peak 3783 spectrum 1 weight 0.11000E+01 volume 0.23371E-03 ppm1 3.497 ppm2 0.771 CV 1
ASSI { 3791}
(( segid "ocre" and resid 7 and name HB1 ))
( segid "ocre" and resid 29 and name HG2%)
4.000 4.000 2.000 peak 3791 spectrum 1 weight 0.11000E+01 volume 0.25707E-03 ppm1 3.237 ppm2 1.033 CV 1
ASSI { 3794}
(( segid "ocre" and resid 42 and name HB1 ))
( segid "ocre" and resid 45 and name HG2%)
3.700 1.800 1.800 peak 3794 spectrum 1 weight 0.11000E+01 volume 0.51169E-03 ppm1 3.065 ppm2 0.996 CV 1
ASSI { 3795}
(( segid "ocre" and resid 51 and name HB1 ))
(( segid "ocre" and resid 10 and name HG1 ))
4.800 2.900 1.200 peak 3795 spectrum 1 weight 0.11000E+01 volume 0.17197E-03 ppm1 3.213 ppm2 1.135 CV 1
ASSI { 3800}
(( segid "ocre" and resid 21 and name HB1 ))
(( segid "sm_n" and resid 108 and name HG21))
4.200 2.300 1.800 peak 3800 spectrum 1 weight 0.11000E+01 volume 0.25322E-03 ppm1 3.500 ppm2 0.848 CV 1
ASSI { 3812}
(( segid "ocre" and resid 30 and name HA2 ))
( segid "ocre" and resid 31 and name HD1%)
4.900 3.000 1.100 peak 3812 spectrum 1 weight 0.11000E+01 volume 0.17550E-03 ppm1 3.532 ppm2 0.590 CV 1
ASSI { 3817}
(( segid "ocre" and resid 42 and name HB1 ))
( segid "ocre" and resid 31 and name HD1%)
3.300 1.400 1.400 peak 3817 spectrum 1 weight 0.11000E+01 volume 0.30720E-02 ppm1 3.063 ppm2 0.596 CV 1
ASSI { 3819}
(( segid "ocre" and resid 42 and name HB1 ))
( segid "ocre" and resid 31 and name HD2%)
5.300 5.300 0.700 peak 3819 spectrum 1 weight 0.11000E+01 volume 0.19533E-03 ppm1 3.070 ppm2 -0.079 CV 1
ASSI { 3820}
(( segid "ocre" and resid 40 and name HB2 ))
( segid "ocre" and resid 40 and name HD% )
2.800 1.000 1.000 peak 3820 spectrum 1 weight 0.11000E+01 volume 0.24753E-02 ppm1 2.947 ppm2 7.248 CV 1
ASSI { 3822}
(( segid "ocre" and resid 48 and name HB1 ))
( segid "ocre" and resid 48 and name HD% )
2.400 2.400 3.600 peak 3822 spectrum 1 weight 0.11000E+01 volume 0.45161E-02 ppm1 2.780 ppm2 7.238 CV 1
ASSI { 3827}
(( segid "ocre" and resid 34 and name HB1 ))
( segid "ocre" and resid 23 and name HD% )
4.400 2.400 1.600 peak 3827 spectrum 1 weight 0.11000E+01 volume 0.32244E-03 ppm1 2.791 ppm2 6.939 CV 1
ASSI { 3828}
(( segid "ocre" and resid 52 and name HB1 ))
( segid "ocre" and resid 50 and name HD% )
4.500 4.500 1.500 peak 3828 spectrum 1 weight 0.11000E+01 volume 0.28278E-03 ppm1 2.527 ppm2 7.000 CV 1
ASSI { 3830}
(( segid "ocre" and resid 17 and name HB1 ))
( segid "ocre" and resid 24 and name HE% )
3.800 1.800 1.800 peak 3830 spectrum 1 weight 0.11000E+01 volume 0.14306E-02 ppm1 2.789 ppm2 6.982 CV 1
ASSI { 3835}
(( segid "ocre" and resid 18 and name HB1 ))
( segid "ocre" and resid 32 and name HE% )
3.800 3.800 2.200 peak 3835 spectrum 1 weight 0.11000E+01 volume 0.73783E-03 ppm1 2.971 ppm2 6.795 CV 1
ASSI { 3837}
(( segid "ocre" and resid 33 and name HB1 ))
( segid "ocre" and resid 40 and name HE% )
3.800 1.800 1.800 peak 3837 spectrum 1 weight 0.11000E+01 volume 0.10548E-02 ppm1 2.671 ppm2 6.871 CV 1
ASSI { 3851}
(( segid "ocre" and resid 51 and name HB2 ))
(( segid "ocre" and resid 51 and name HD1 ))
3.600 1.700 1.700 peak 3851 spectrum 1 weight 0.11000E+01 volume 0.14539E-02 ppm1 2.850 ppm2 6.895 CV 1
ASSI { 3853}
(( segid "ocre" and resid 34 and name HB1 ))
( segid "ocre" and resid 23 and name HE% )
3.600 3.600 2.400 peak 3853 spectrum 1 weight 0.11000E+01 volume 0.70297E-03 ppm1 2.789 ppm2 6.565 CV 1
ASSI { 3857}
(( segid "ocre" and resid 7 and name HB2 ))
( segid "ocre" and resid 58 and name HD% )
4.900 4.900 1.100 peak 3857 spectrum 1 weight 0.11000E+01 volume 0.14713E-03 ppm1 2.849 ppm2 6.428 CV 1
ASSI { 3858}
(( segid "ocre" and resid 58 and name HB1 ))
( segid "ocre" and resid 58 and name HD% )
2.900 1.000 1.000 peak 3858 spectrum 1 weight 0.11000E+01 volume 0.22782E-02 ppm1 2.569 ppm2 6.422 CV 1
ASSI { 3859}
(( segid "ocre" and resid 17 and name HB1 ))
( segid "ocre" and resid 17 and name HE% )
4.200 2.200 1.800 peak 3859 spectrum 1 weight 0.11000E+01 volume 0.69572E-03 ppm1 2.772 ppm2 6.507 CV 1
ASSI { 3869}
(( segid "ocre" and resid 7 and name HB2 ))
(( segid "ocre" and resid 51 and name HZ3 ))
3.400 1.500 1.500 peak 3869 spectrum 1 weight 0.11000E+01 volume 0.83774E-03 ppm1 2.847 ppm2 6.128 CV 1
ASSI { 3871}
(( segid "ocre" and resid 17 and name HB1 ))
( segid "ocre" and resid 17 and name HD% )
2.600 0.800 0.800 peak 3871 spectrum 1 weight 0.11000E+01 volume 0.41971E-02 ppm1 2.775 ppm2 6.195 CV 1
ASSI { 3874}
(( segid "ocre" and resid 16 and name HG1 ))
( segid "ocre" and resid 25 and name HD% )
4.100 4.100 1.900 peak 3874 spectrum 1 weight 0.11000E+01 volume 0.47594E-03 ppm1 2.560 ppm2 6.061 CV 1
ASSI { 3877}
(( segid "ocre" and resid 33 and name HB1 ))
( segid "ocre" and resid 33 and name HD% )
2.800 1.000 1.000 peak 3877 spectrum 1 weight 0.11000E+01 volume 0.19105E-02 ppm1 2.670 ppm2 5.959 CV 1
ASSI { 3878}
(( segid "ocre" and resid 41 and name HB1 ))
( segid "ocre" and resid 41 and name HD% )
2.600 0.900 0.900 peak 3878 spectrum 1 weight 0.11000E+01 volume 0.26219E-02 ppm1 2.659 ppm2 5.836 CV 1
ASSI { 3880}
(( segid "ocre" and resid 7 and name HB2 ))
( segid "ocre" and resid 58 and name HE% )
4.500 2.500 1.500 peak 3880 spectrum 1 weight 0.11000E+01 volume 0.29216E-03 ppm1 2.841 ppm2 5.806 CV 1
ASSI { 3881}
(( segid "ocre" and resid 58 and name HB1 ))
( segid "ocre" and resid 58 and name HE% )
4.600 2.600 1.400 peak 3881 spectrum 1 weight 0.11000E+01 volume 0.33537E-03 ppm1 2.566 ppm2 5.790 CV 1
ASSI { 3886}
(( segid "ocre" and resid 25 and name HB1 ))
(( segid "ocre" and resid 32 and name HA ))
4.800 4.800 1.200 peak 3886 spectrum 1 weight 0.11000E+01 volume 0.49266E-03 ppm1 2.702 ppm2 5.490 CV 1
ASSI { 3887}
(( segid "ocre" and resid 33 and name HB1 ))
(( segid "ocre" and resid 40 and name HA ))
4.500 4.500 1.500 peak 3887 spectrum 1 weight 0.11000E+01 volume 0.68306E-03 ppm1 2.666 ppm2 5.640 CV 1
ASSI { 3891}
(( segid "ocre" and resid 51 and name HB2 ))
(( segid "ocre" and resid 51 and name HE3 ))
3.700 1.700 1.700 peak 3891 spectrum 1 weight 0.11000E+01 volume 0.45804E-03 ppm1 2.854 ppm2 5.370 CV 1
ASSI { 3907}
(( segid "ocre" and resid 34 and name HB1 ))
(( segid "ocre" and resid 34 and name HA ))
3.000 1.100 1.100 peak 3907 spectrum 1 weight 0.11000E+01 volume 0.20913E-02 ppm1 2.790 ppm2 4.953 CV 1
ASSI { 3913}
(( segid "ocre" and resid 51 and name HB2 ))
(( segid "ocre" and resid 58 and name HA ))
4.300 2.300 1.700 peak 3913 spectrum 1 weight 0.11000E+01 volume 0.30972E-03 ppm1 2.855 ppm2 4.905 CV 1
ASSI { 3917}
(( segid "ocre" and resid 18 and name HB1 ))
(( segid "ocre" and resid 18 and name HA ))
2.800 1.000 1.000 peak 3917 spectrum 1 weight 0.11000E+01 volume 0.26721E-02 ppm1 2.967 ppm2 4.728 CV 1
ASSI { 3921}
(( segid "ocre" and resid 26 and name HB1 ))
(( segid "ocre" and resid 26 and name HA ))
3.100 1.200 1.200 peak 3921 spectrum 1 weight 0.11000E+01 volume 0.17000E-02 ppm1 2.497 ppm2 4.648 CV 1
ASSI { 3954}
(( segid "ocre" and resid 34 and name HB1 ))
(( segid "ocre" and resid 35 and name HD2 ))
4.800 2.800 1.200 peak 3954 spectrum 1 weight 0.11000E+01 volume 0.20760E-03 ppm1 2.787 ppm2 4.082 CV 1
ASSI { 3992}
(( segid "ocre" and resid 33 and name HB1 ))
(( segid "ocre" and resid 24 and name HB1 ))
3.800 1.800 1.800 peak 3992 spectrum 1 weight 0.11000E+01 volume 0.66939E-03 ppm1 2.669 ppm2 3.354 CV 1
ASSI { 3997}
(( segid "ocre" and resid 51 and name HB2 ))
(( segid "ocre" and resid 51 and name HB1 ))
2.100 0.600 0.600 peak 3997 spectrum 1 weight 0.11000E+01 volume 0.70179E-02 ppm1 2.849 ppm2 3.213 CV 1
ASSI { 4036}
(( segid "ocre" and resid 41 and name HB1 ))
(( segid "ocre" and resid 32 and name HB1 ))
3.400 3.400 2.600 peak 4036 spectrum 1 weight 0.11000E+01 volume 0.16608E-02 ppm1 2.666 ppm2 3.109 CV 1
ASSI { 4038}
(( segid "ocre" and resid 36 and name HB2 ))
(( segid "ocre" and resid 36 and name HB1 ))
1.700 0.400 0.500 peak 4038 spectrum 1 weight 0.11000E+01 volume 0.28713E-01 ppm1 2.813 ppm2 2.998 CV 1
ASSI { 4158}
(( segid "ocre" and resid 18 and name HB1 ))
(( segid "ocre" and resid 18 and name HB2 ))
2.000 0.500 0.500 peak 4158 spectrum 1 weight 0.11000E+01 volume 0.10840E-01 ppm1 2.968 ppm2 2.353 CV 1
ASSI { 4166}
(( segid "ocre" and resid 11 and name HB1 ))
(( segid "ocre" and resid 11 and name HB2 ))
2.000 0.500 0.500 peak 4166 spectrum 1 weight 0.11000E+01 volume 0.13026E-01 ppm1 2.666 ppm2 2.438 CV 1
ASSI { 4180}
(( segid "ocre" and resid 16 and name HG1 ))
(( segid "ocre" and resid 16 and name HB1 ))
2.400 0.700 0.700 peak 4180 spectrum 1 weight 0.11000E+01 volume 0.10374E-01 ppm1 2.559 ppm2 2.240 CV 1
ASSI { 4195}
(( segid "ocre" and resid 56 and name HA ))
(( segid "ocre" and resid 56 and name HB1 ))
2.600 0.800 0.800 peak 4195 spectrum 1 weight 0.11000E+01 volume 0.35594E-02 ppm1 2.989 ppm2 2.095 CV 1
ASSI { 4204}
(( segid "ocre" and resid 34 and name HB1 ))
(( segid "ocre" and resid 34 and name HB2 ))
1.900 0.400 0.400 peak 4204 spectrum 1 weight 0.11000E+01 volume 0.10152E-01 ppm1 2.789 ppm2 2.029 CV 1
ASSI { 4206}
(( segid "ocre" and resid 52 and name HB1 ))
(( segid "ocre" and resid 52 and name HB2 ))
2.000 0.500 0.500 peak 4206 spectrum 1 weight 0.11000E+01 volume 0.10914E-01 ppm1 2.529 ppm2 2.129 CV 1
ASSI { 4255}
(( segid "ocre" and resid 52 and name HB1 ))
(( segid "ocre" and resid 55 and name HG2 ))
3.300 1.400 1.400 peak 4255 spectrum 1 weight 0.11000E+01 volume 0.91205E-03 ppm1 2.530 ppm2 1.349 CV 1
ASSI { 4258}
(( segid "ocre" and resid 48 and name HB1 ))
(( segid "ocre" and resid 49 and name HB1 ))
4.300 4.300 1.700 peak 4258 spectrum 1 weight 0.11000E+01 volume 0.39116E-03 ppm1 2.746 ppm2 1.608 CV 1
ASSI { 4260}
(( segid "ocre" and resid 58 and name HB1 ))
(( segid "ocre" and resid 49 and name HB1 ))
2.800 1.000 1.000 peak 4260 spectrum 1 weight 0.11000E+01 volume 0.11071E-02 ppm1 2.562 ppm2 1.589 CV 1
ASSI { 4261}
(( segid "ocre" and resid 58 and name HB1 ))
(( segid "ocre" and resid 49 and name HB2 ))
3.500 1.600 1.600 peak 4261 spectrum 1 weight 0.11000E+01 volume 0.10635E-02 ppm1 2.561 ppm2 1.474 CV 1
ASSI { 4287}
(( segid "ocre" and resid 26 and name HB1 ))
(( segid "ocre" and resid 26 and name HB2 ))
2.100 0.600 0.600 peak 4287 spectrum 1 weight 0.11000E+01 volume 0.69185E-02 ppm1 2.498 ppm2 1.081 CV 1
ASSI { 4288}
(( segid "ocre" and resid 48 and name HB1 ))
( segid "ocre" and resid 61 and name HB% )
2.700 2.700 3.300 peak 4288 spectrum 1 weight 0.11000E+01 volume 0.34378E-02 ppm1 2.763 ppm2 1.231 CV 1
ASSI { 4289}
(( segid "ocre" and resid 11 and name HB1 ))
( segid "ocre" and resid 14 and name HG2%)
3.300 1.400 1.400 peak 4289 spectrum 1 weight 0.11000E+01 volume 0.15871E-02 ppm1 2.667 ppm2 1.110 CV 1
ASSI { 4294}
(( segid "ocre" and resid 51 and name HB2 ))
(( segid "ocre" and resid 10 and name HG2 ))
3.200 3.200 2.800 peak 4294 spectrum 1 weight 0.11000E+01 volume 0.25298E-03 ppm1 2.847 ppm2 1.021 CV 1
ASSI { 4309}
(( segid "ocre" and resid 52 and name HB1 ))
( segid "ocre" and resid 59 and name HG1%)
3.300 3.300 2.700 peak 4309 spectrum 1 weight 0.11000E+01 volume 0.10792E-02 ppm1 2.530 ppm2 0.897 CV 1
ASSI { 4310}
(( segid "ocre" and resid 52 and name HB1 ))
( segid "ocre" and resid 57 and name HG2%)
3.500 3.500 2.500 peak 4310 spectrum 1 weight 0.11000E+01 volume 0.11842E-02 ppm1 2.529 ppm2 0.749 CV 1
ASSI { 4337}
(( segid "ocre" and resid 52 and name HB1 ))
( segid "ocre" and resid 59 and name HG2%)
2.800 2.800 3.200 peak 4337 spectrum 1 weight 0.11000E+01 volume 0.34123E-02 ppm1 2.528 ppm2 0.593 CV 1
ASSI { 4338}
(( segid "ocre" and resid 48 and name HB1 ))
( segid "ocre" and resid 49 and name HD1%)
3.800 3.800 2.200 peak 4338 spectrum 1 weight 0.11000E+01 volume 0.85922E-03 ppm1 2.746 ppm2 0.659 CV 1
ASSI { 4339}
(( segid "ocre" and resid 58 and name HB1 ))
( segid "ocre" and resid 49 and name HD1%)
2.700 0.900 0.900 peak 4339 spectrum 1 weight 0.11000E+01 volume 0.26450E-02 ppm1 2.567 ppm2 0.645 CV 1
ASSI { 4358}
(( segid "ocre" and resid 58 and name HB1 ))
( segid "ocre" and resid 31 and name HD2%)
3.800 1.800 1.800 peak 4358 spectrum 1 weight 0.11000E+01 volume 0.42175E-03 ppm1 2.576 ppm2 -0.078 CV 1
ASSI { 4369}
(( segid "ocre" and resid 52 and name HB2 ))
( segid "ocre" and resid 50 and name HD% )
4.000 4.000 2.000 peak 4369 spectrum 1 weight 0.11000E+01 volume 0.39349E-03 ppm1 2.129 ppm2 7.001 CV 1
ASSI { 4371}
(( segid "ocre" and resid 34 and name HB2 ))
( segid "ocre" and resid 23 and name HD% )
3.600 1.600 1.600 peak 4371 spectrum 1 weight 0.11000E+01 volume 0.41376E-03 ppm1 2.032 ppm2 6.945 CV 1
ASSI { 4373}
(( segid "ocre" and resid 56 and name HG1 ))
(( segid "ocre" and resid 51 and name HZ2 ))
3.800 1.800 1.800 peak 4373 spectrum 1 weight 0.11000E+01 volume 0.76021E-03 ppm1 2.027 ppm2 7.127 CV 1
ASSI { 4378}
(( segid "ocre" and resid 35 and name HG1 ))
( segid "ocre" and resid 24 and name HD% )
3.300 1.300 1.300 peak 4378 spectrum 1 weight 0.11000E+01 volume 0.12360E-02 ppm1 2.113 ppm2 7.237 CV 1
ASSI { 4384}
(( segid "ocre" and resid 12 and name HA ))
( segid "ocre" and resid 15 and name HD% )
3.700 1.700 1.700 peak 4384 spectrum 1 weight 0.11000E+01 volume 0.27566E-03 ppm1 2.464 ppm2 6.814 CV 1
ASSI { 4387}
(( segid "ocre" and resid 33 and name HB2 ))
( segid "ocre" and resid 40 and name HE% )
3.300 1.400 1.400 peak 4387 spectrum 1 weight 0.11000E+01 volume 0.73041E-03 ppm1 2.458 ppm2 6.856 CV 1
ASSI { 4388}
(( segid "ocre" and resid 18 and name HB2 ))
( segid "ocre" and resid 32 and name HE% )
3.900 3.900 2.100 peak 4388 spectrum 1 weight 0.11000E+01 volume 0.64352E-03 ppm1 2.355 ppm2 6.794 CV 1
ASSI { 4389}
(( segid "ocre" and resid 52 and name HB2 ))
( segid "ocre" and resid 50 and name HE% )
3.200 3.200 2.800 peak 4389 spectrum 1 weight 0.11000E+01 volume 0.99902E-03 ppm1 2.131 ppm2 6.771 CV 1
ASSI { 4407}
(( segid "ocre" and resid 33 and name HB2 ))
( segid "ocre" and resid 33 and name HE% )
4.500 2.500 1.500 peak 4407 spectrum 1 weight 0.11000E+01 volume 0.40785E-03 ppm1 2.457 ppm2 6.363 CV 1
ASSI { 4408}
(( segid "ocre" and resid 34 and name HB2 ))
( segid "ocre" and resid 23 and name HE% )
3.300 3.300 2.700 peak 4408 spectrum 1 weight 0.11000E+01 volume 0.80747E-03 ppm1 2.030 ppm2 6.567 CV 1
ASSI { 4411}
(( segid "ocre" and resid 38 and name HG1 ))
( segid "ocre" and resid 33 and name HE% )
2.900 2.900 3.100 peak 4411 spectrum 1 weight 0.11000E+01 volume 0.54658E-03 ppm1 2.240 ppm2 6.364 CV 1
ASSI { 4412}
(( segid "ocre" and resid 38 and name HG2 ))
( segid "ocre" and resid 33 and name HE% )
2.900 2.900 3.100 peak 4412 spectrum 1 weight 0.11000E+01 volume 0.45105E-03 ppm1 2.108 ppm2 6.364 CV 1
ASSI { 4413}
(( segid "ocre" and resid 27 and name HB1 ))
( segid "ocre" and resid 25 and name HE% )
3.100 3.100 2.900 peak 4413 spectrum 1 weight 0.11000E+01 volume 0.20138E-02 ppm1 2.379 ppm2 6.384 CV 1
ASSI { 4420}
(( segid "ocre" and resid 38 and name HB1 ))
( segid "ocre" and resid 33 and name HE% )
3.800 3.800 2.200 peak 4420 spectrum 1 weight 0.11000E+01 volume 0.64340E-03 ppm1 2.439 ppm2 6.366 CV 1
ASSI { 4422}
(( segid "ocre" and resid 27 and name HG1 ))
( segid "ocre" and resid 25 and name HE% )
2.900 2.900 3.100 peak 4422 spectrum 1 weight 0.11000E+01 volume 0.19965E-02 ppm1 2.086 ppm2 6.377 CV 1
ASSI { 4424}
(( segid "ocre" and resid 12 and name HA ))
( segid "ocre" and resid 15 and name HE% )
4.400 4.400 1.600 peak 4424 spectrum 1 weight 0.11000E+01 volume 0.34754E-03 ppm1 2.462 ppm2 6.232 CV 1
ASSI { 4426}
(( segid "ocre" and resid 18 and name HB2 ))
( segid "ocre" and resid 25 and name HD% )
4.600 4.600 1.400 peak 4426 spectrum 1 weight 0.11000E+01 volume 0.18576E-03 ppm1 2.359 ppm2 6.060 CV 1
ASSI { 4428}
(( segid "ocre" and resid 19 and name HG1 ))
( segid "ocre" and resid 17 and name HD% )
2.500 2.500 3.500 peak 4428 spectrum 1 weight 0.11000E+01 volume 0.12232E-02 ppm1 2.323 ppm2 6.195 CV 1
ASSI { 4429}
(( segid "ocre" and resid 46 and name HG1 ))
( segid "ocre" and resid 41 and name HE% )
4.300 2.300 1.700 peak 4429 spectrum 1 weight 0.11000E+01 volume 0.52758E-03 ppm1 2.190 ppm2 6.142 CV 1
ASSI { 4433}
(( segid "ocre" and resid 16 and name HB1 ))
( segid "ocre" and resid 25 and name HD% )
3.300 3.300 2.700 peak 4433 spectrum 1 weight 0.11000E+01 volume 0.95238E-03 ppm1 2.234 ppm2 6.062 CV 1
ASSI { 4439}
(( segid "ocre" and resid 27 and name HG1 ))
( segid "ocre" and resid 25 and name HD% )
3.000 3.000 3.000 peak 4439 spectrum 1 weight 0.11000E+01 volume 0.12913E-02 ppm1 2.071 ppm2 6.062 CV 1
ASSI { 4444}
(( segid "ocre" and resid 33 and name HB2 ))
( segid "ocre" and resid 33 and name HD% )
3.100 1.200 1.200 peak 4444 spectrum 1 weight 0.11000E+01 volume 0.18494E-02 ppm1 2.454 ppm2 5.960 CV 1
ASSI { 4450}
(( segid "ocre" and resid 35 and name HB2 ))
( segid "ocre" and resid 33 and name HD% )
5.400 5.400 0.600 peak 4450 spectrum 1 weight 0.11000E+01 volume 0.15645E-03 ppm1 2.055 ppm2 5.980 CV 1
ASSI { 4453}
(( segid "ocre" and resid 35 and name HG1 ))
( segid "ocre" and resid 33 and name HD% )
3.700 1.800 1.800 peak 4453 spectrum 1 weight 0.11000E+01 volume 0.57910E-03 ppm1 2.113 ppm2 5.963 CV 1
ASSI { 4466}
(( segid "ocre" and resid 60 and name HG1 ))
(( segid "ocre" and resid 49 and name HA ))
5.500 3.800 0.500 peak 4466 spectrum 1 weight 0.11000E+01 volume 0.12492E-03 ppm1 2.139 ppm2 5.473 CV 1
ASSI { 4490}
(( segid "ocre" and resid 33 and name HB2 ))
(( segid "ocre" and resid 33 and name HA ))
3.000 1.100 1.100 peak 4490 spectrum 1 weight 0.11000E+01 volume 0.11439E-02 ppm1 2.455 ppm2 4.874 CV 1
ASSI { 4513}
(( segid "ocre" and resid 18 and name HB2 ))
(( segid "ocre" and resid 18 and name HA ))
2.700 0.900 0.900 peak 4513 spectrum 1 weight 0.11000E+01 volume 0.33987E-02 ppm1 2.354 ppm2 4.728 CV 1
ASSI { 4526}
(( segid "ocre" and resid 60 and name HB1 ))
(( segid "ocre" and resid 60 and name HA ))
2.300 0.700 0.700 peak 4526 spectrum 1 weight 0.11000E+01 volume 0.51778E-02 ppm1 2.318 ppm2 4.692 CV 1
ASSI { 4529}
(( segid "ocre" and resid 60 and name HB2 ))
(( segid "ocre" and resid 60 and name HA ))
2.800 1.000 1.000 peak 4529 spectrum 1 weight 0.11000E+01 volume 0.30578E-02 ppm1 1.940 ppm2 4.689 CV 1
ASSI { 4560}
(( segid "ocre" and resid 54 and name HG2 ))
(( segid "ocre" and resid 54 and name HA ))
3.100 1.200 1.200 peak 4560 spectrum 1 weight 0.11000E+01 volume 0.22599E-02 ppm1 2.104 ppm2 4.123 CV 1
ASSI { 4581}
(( segid "ocre" and resid 35 and name HG1 ))
(( segid "ocre" and resid 35 and name HD1 ))
2.300 0.700 0.700 peak 4581 spectrum 1 weight 0.11000E+01 volume 0.49911E-02 ppm1 2.114 ppm2 4.316 CV 1
ASSI { 4601}
(( segid "ocre" and resid 38 and name HG1 ))
(( segid "ocre" and resid 35 and name HA ))
3.800 1.800 1.800 peak 4601 spectrum 1 weight 0.11000E+01 volume 0.64225E-03 ppm1 2.244 ppm2 3.946 CV 1
ASSI { 4603}
(( segid "ocre" and resid 27 and name HB1 ))
(( segid "ocre" and resid 27 and name HA ))
2.300 0.700 0.700 peak 4603 spectrum 1 weight 0.11000E+01 volume 0.58558E-02 ppm1 2.379 ppm2 3.940 CV 1
ASSI { 4612}
(( segid "ocre" and resid 38 and name HB1 ))
(( segid "ocre" and resid 35 and name HA ))
5.000 3.100 1.000 peak 4612 spectrum 1 weight 0.11000E+01 volume 0.18207E-03 ppm1 2.443 ppm2 3.950 CV 1
ASSI { 4639}
(( segid "ocre" and resid 38 and name HG1 ))
(( segid "ocre" and resid 38 and name HA ))
2.900 1.000 1.000 peak 4639 spectrum 1 weight 0.11000E+01 volume 0.32848E-02 ppm1 2.237 ppm2 3.666 CV 1
ASSI { 4644}
(( segid "ocre" and resid 46 and name HG2 ))
(( segid "ocre" and resid 46 and name HA ))
2.600 0.800 0.800 peak 4644 spectrum 1 weight 0.11000E+01 volume 0.36591E-02 ppm1 2.087 ppm2 3.559 CV 1
ASSI { 4651}
(( segid "ocre" and resid 60 and name HB2 ))
(( segid "ocre" and resid 60 and name HD2 ))
3.200 1.300 1.300 peak 4651 spectrum 1 weight 0.11000E+01 volume 0.22131E-02 ppm1 1.941 ppm2 3.650 CV 1
ASSI { 4664}
(( segid "ocre" and resid 46 and name HB2 ))
(( segid "ocre" and resid 46 and name HA ))
2.600 0.900 0.900 peak 4664 spectrum 1 weight 0.11000E+01 volume 0.30276E-02 ppm1 2.193 ppm2 3.555 CV 1
ASSI { 4692}
(( segid "ocre" and resid 56 and name HG1 ))
(( segid "ocre" and resid 56 and name HA ))
3.100 1.200 1.200 peak 4692 spectrum 1 weight 0.11000E+01 volume 0.17189E-02 ppm1 2.025 ppm2 2.983 CV 1
ASSI { 4706}
(( segid "ocre" and resid 33 and name HB2 ))
(( segid "ocre" and resid 33 and name HB1 ))
2.100 0.500 0.500 peak 4706 spectrum 1 weight 0.11000E+01 volume 0.76248E-02 ppm1 2.464 ppm2 2.667 CV 1
ASSI { 4761}
(( segid "ocre" and resid 10 and name HD2 ))
(( segid "ocre" and resid 10 and name HD1 ))
2.500 0.800 0.800 peak 4761 spectrum 1 weight 0.11000E+01 volume 0.24661E-02 ppm1 2.105 ppm2 2.464 CV 1
ASSI { 4803}
(( segid "ocre" and resid 19 and name HB1 ))
(( segid "ocre" and resid 19 and name HG1 ))
2.600 0.800 0.800 peak 4803 spectrum 1 weight 0.11000E+01 volume 0.89394E-02 ppm1 2.005 ppm2 2.314 CV 1
ASSI { 4928}
(( segid "ocre" and resid 63 and name HG1 ))
(( segid "ocre" and resid 63 and name HG2 ))
1.600 0.300 0.600 peak 4928 spectrum 1 weight 0.11000E+01 volume 0.38186E-01 ppm1 2.262 ppm2 2.111 CV 1
ASSI { 4939}
(( segid "ocre" and resid 63 and name HB1 ))
(( segid "ocre" and resid 63 and name HG2 ))
1.500 1.500 4.500 peak 4939 spectrum 1 weight 0.11000E+01 volume 0.12726E+00 ppm1 2.126 ppm2 2.124 CV 1
ASSI { 4942}
(( segid "ocre" and resid 63 and name HB2 ))
(( segid "ocre" and resid 63 and name HB1 ))
1.800 0.400 0.400 peak 4942 spectrum 1 weight 0.11000E+01 volume 0.19498E-01 ppm1 1.947 ppm2 2.126 CV 1
ASSI { 4950}
(( segid "ocre" and resid 46 and name HB1 ))
(( segid "ocre" and resid 46 and name HB2 ))
1.900 0.400 0.400 peak 4950 spectrum 1 weight 0.11000E+01 volume 0.16798E-01 ppm1 2.356 ppm2 2.194 CV 1
ASSI { 5012}
(( segid "ocre" and resid 10 and name HD1 ))
(( segid "ocre" and resid 9 and name HB ))
3.900 1.900 1.900 peak 5012 spectrum 1 weight 0.11000E+01 volume 0.10547E-02 ppm1 2.461 ppm2 1.861 CV 1
ASSI { 5013}
(( segid "ocre" and resid 10 and name HD2 ))
(( segid "ocre" and resid 9 and name HB ))
4.000 2.000 2.000 peak 5013 spectrum 1 weight 0.11000E+01 volume 0.49766E-03 ppm1 2.102 ppm2 1.860 CV 1
ASSI { 5016}
(( segid "ocre" and resid 52 and name HB2 ))
(( segid "ocre" and resid 55 and name HB1 ))
4.700 2.700 1.300 peak 5016 spectrum 1 weight 0.11000E+01 volume 0.48310E-03 ppm1 2.121 ppm2 1.650 CV 1
ASSI { 5022}
(( segid "ocre" and resid 47 and name HG1 ))
(( segid "ocre" and resid 47 and name HB2 ))
2.400 0.700 0.700 peak 5022 spectrum 1 weight 0.11000E+01 volume 0.51024E-02 ppm1 2.278 ppm2 1.628 CV 1
ASSI { 5052}
(( segid "ocre" and resid 52 and name HB2 ))
(( segid "ocre" and resid 55 and name HG2 ))
3.700 1.700 1.700 peak 5052 spectrum 1 weight 0.11000E+01 volume 0.66128E-03 ppm1 2.122 ppm2 1.347 CV 1
ASSI { 5054}
(( segid "ocre" and resid 42 and name HB2 ))
(( segid "ocre" and resid 49 and name HG ))
4.300 2.300 1.700 peak 5054 spectrum 1 weight 0.11000E+01 volume 0.36908E-03 ppm1 2.041 ppm2 1.462 CV 1
ASSI { 5088}
(( segid "ocre" and resid 10 and name HD1 ))
(( segid "ocre" and resid 10 and name HG2 ))
3.500 1.500 1.500 peak 5088 spectrum 1 weight 0.11000E+01 volume 0.98316E-03 ppm1 2.461 ppm2 0.999 CV 1
ASSI { 5092}
(( segid "ocre" and resid 52 and name HB2 ))
(( segid "ocre" and resid 55 and name HB2 ))
3.600 1.600 1.600 peak 5092 spectrum 1 weight 0.11000E+01 volume 0.85993E-03 ppm1 2.124 ppm2 1.080 CV 1
ASSI { 5094}
(( segid "ocre" and resid 42 and name HB2 ))
( segid "ocre" and resid 45 and name HG2%)
4.500 4.500 1.500 peak 5094 spectrum 1 weight 0.11000E+01 volume 0.32940E-03 ppm1 2.038 ppm2 0.994 CV 1
ASSI { 5133}
(( segid "ocre" and resid 52 and name HB2 ))
( segid "ocre" and resid 59 and name HG1%)
3.500 1.600 1.600 peak 5133 spectrum 1 weight 0.11000E+01 volume 0.79874E-03 ppm1 2.129 ppm2 0.896 CV 1
ASSI { 5134}
(( segid "ocre" and resid 52 and name HB2 ))
( segid "ocre" and resid 57 and name HG2%)
4.000 4.000 2.000 peak 5134 spectrum 1 weight 0.11000E+01 volume 0.64423E-03 ppm1 2.126 ppm2 0.749 CV 1
ASSI { 5191}
(( segid "ocre" and resid 12 and name HA ))
( segid "ocre" and resid 12 and name HG2%)
2.900 1.000 1.000 peak 5191 spectrum 1 weight 0.11000E+01 volume 0.20915E-02 ppm1 2.467 ppm2 0.591 CV 1
ASSI { 5195}
(( segid "ocre" and resid 42 and name HB2 ))
( segid "ocre" and resid 31 and name HD1%)
2.500 0.800 0.800 peak 5195 spectrum 1 weight 0.11000E+01 volume 0.39734E-02 ppm1 2.038 ppm2 0.595 CV 1
ASSI { 5199}
(( segid "ocre" and resid 47 and name HG1 ))
( segid "ocre" and resid 49 and name HD1%)
3.400 3.400 2.600 peak 5199 spectrum 1 weight 0.11000E+01 volume 0.15088E-02 ppm1 2.280 ppm2 0.645 CV 1
ASSI { 5233}
(( segid "ocre" and resid 31 and name HB1 ))
( segid "ocre" and resid 40 and name HD% )
3.200 3.200 2.800 peak 5233 spectrum 1 weight 0.11000E+01 volume 0.10176E-02 ppm1 1.684 ppm2 7.244 CV 1
ASSI { 5234}
(( segid "ocre" and resid 31 and name HB2 ))
( segid "ocre" and resid 40 and name HD% )
3.800 1.800 1.800 peak 5234 spectrum 1 weight 0.11000E+01 volume 0.12414E-02 ppm1 1.409 ppm2 7.246 CV 1
ASSI { 5244}
(( segid "ocre" and resid 31 and name HB2 ))
( segid "ocre" and resid 40 and name HE% )
5.000 5.000 1.000 peak 5244 spectrum 1 weight 0.11000E+01 volume 0.18774E-03 ppm1 1.398 ppm2 6.862 CV 1
ASSI { 5278}
(( segid "ocre" and resid 49 and name HB1 ))
(( segid "ocre" and resid 40 and name HA ))
5.500 3.700 0.500 peak 5278 spectrum 1 weight 0.11000E+01 volume 0.11963E-03 ppm1 1.577 ppm2 5.646 CV 1
ASSI { 5282}
(( segid "ocre" and resid 60 and name HG2 ))
(( segid "ocre" and resid 49 and name HA ))
5.400 3.600 0.600 peak 5282 spectrum 1 weight 0.11000E+01 volume 0.22777E-03 ppm1 1.833 ppm2 5.475 CV 1
ASSI { 5291}
(( segid "ocre" and resid 49 and name HB2 ))
(( segid "ocre" and resid 58 and name HA ))
5.600 3.900 0.400 peak 5291 spectrum 1 weight 0.11000E+01 volume 0.15870E-03 ppm1 1.470 ppm2 4.888 CV 1
ASSI { 5297}
(( segid "ocre" and resid 49 and name HB1 ))
(( segid "ocre" and resid 60 and name HA ))
4.500 2.600 1.500 peak 5297 spectrum 1 weight 0.11000E+01 volume 0.39929E-03 ppm1 1.593 ppm2 4.693 CV 1
ASSI { 5302}
(( segid "ocre" and resid 31 and name HB2 ))
(( segid "ocre" and resid 31 and name HA ))
2.900 1.000 1.000 peak 5302 spectrum 1 weight 0.11000E+01 volume 0.20447E-02 ppm1 1.407 ppm2 4.545 CV 1
ASSI { 5334}
(( segid "ocre" and resid 44 and name HB2 ))
(( segid "ocre" and resid 44 and name HA ))
2.600 0.900 0.900 peak 5334 spectrum 1 weight 0.11000E+01 volume 0.48251E-02 ppm1 1.643 ppm2 4.292 CV 1
ASSI { 5343}
(( segid "ocre" and resid 6 and name HB1 ))
(( segid "ocre" and resid 6 and name HA ))
2.800 1.000 1.000 peak 5343 spectrum 1 weight 0.11000E+01 volume 0.28864E-02 ppm1 1.661 ppm2 4.377 CV 1
ASSI { 5348}
(( segid "ocre" and resid 6 and name HG1 ))
(( segid "ocre" and resid 6 and name HA ))
3.600 1.600 1.600 peak 5348 spectrum 1 weight 0.11000E+01 volume 0.75766E-03 ppm1 1.591 ppm2 4.377 CV 1
ASSI { 5370}
(( segid "ocre" and resid 55 and name HB1 ))
(( segid "ocre" and resid 55 and name HA ))
2.600 0.800 0.800 peak 5370 spectrum 1 weight 0.11000E+01 volume 0.33931E-02 ppm1 1.655 ppm2 3.968 CV 1
ASSI { 5375}
(( segid "ocre" and resid 55 and name HG1 ))
(( segid "ocre" and resid 55 and name HA ))
3.900 1.900 1.900 peak 5375 spectrum 1 weight 0.11000E+01 volume 0.93880E-03 ppm1 1.485 ppm2 3.967 CV 1
ASSI { 5387}
(( segid "ocre" and resid 60 and name HG2 ))
(( segid "ocre" and resid 60 and name HD1 ))
3.000 1.100 1.100 peak 5387 spectrum 1 weight 0.11000E+01 volume 0.34037E-02 ppm1 1.829 ppm2 3.790 CV 1
ASSI { 5422}
(( segid "ocre" and resid 55 and name HG1 ))
(( segid "ocre" and resid 55 and name HE1 ))
2.600 0.800 0.800 peak 5422 spectrum 1 weight 0.11000E+01 volume 0.43640E-02 ppm1 1.485 ppm2 2.870 CV 1
ASSI { 5424}
(( segid "ocre" and resid 49 and name HG ))
(( segid "ocre" and resid 42 and name HB1 ))
4.400 2.400 1.600 peak 5424 spectrum 1 weight 0.11000E+01 volume 0.22699E-03 ppm1 1.467 ppm2 3.060 CV 1
ASSI { 5447}
(( segid "ocre" and resid 49 and name HG ))
(( segid "ocre" and resid 58 and name HB1 ))
4.500 2.500 1.500 peak 5447 spectrum 1 weight 0.11000E+01 volume 0.29394E-03 ppm1 1.463 ppm2 2.558 CV 1
ASSI { 5466}
(( segid "ocre" and resid 60 and name HG2 ))
(( segid "ocre" and resid 60 and name HB1 ))
2.900 1.000 1.000 peak 5466 spectrum 1 weight 0.11000E+01 volume 0.42244E-02 ppm1 1.828 ppm2 2.314 CV 1
ASSI { 5475}
(( segid "ocre" and resid 60 and name HG2 ))
(( segid "ocre" and resid 60 and name HG1 ))
1.900 0.500 0.500 peak 5475 spectrum 1 weight 0.11000E+01 volume 0.13143E-01 ppm1 1.829 ppm2 2.130 CV 1
ASSI { 5518}
(( segid "ocre" and resid 31 and name HB2 ))
(( segid "ocre" and resid 31 and name HB1 ))
2.100 0.600 0.600 peak 5518 spectrum 1 weight 0.11000E+01 volume 0.54161E-02 ppm1 1.408 ppm2 1.684 CV 1
ASSI { 5521}
(( segid "ocre" and resid 44 and name HB2 ))
(( segid "ocre" and resid 44 and name HB1 ))
1.800 0.400 0.400 peak 5521 spectrum 1 weight 0.11000E+01 volume 0.19545E-01 ppm1 1.643 ppm2 1.830 CV 1
ASSI { 5538}
(( segid "ocre" and resid 47 and name HB1 ))
(( segid "ocre" and resid 47 and name HB2 ))
1.900 0.500 0.500 peak 5538 spectrum 1 weight 0.11000E+01 volume 0.13236E-01 ppm1 1.901 ppm2 1.628 CV 1
ASSI { 5551}
(( segid "ocre" and resid 44 and name HG ))
(( segid "ocre" and resid 44 and name HB1 ))
2.400 0.700 0.700 peak 5551 spectrum 1 weight 0.11000E+01 volume 0.79285E-02 ppm1 1.606 ppm2 1.829 CV 1
ASSI { 5611}
(( segid "ocre" and resid 49 and name HB1 ))
(( segid "ocre" and resid 49 and name HB2 ))
2.100 0.500 0.500 peak 5611 spectrum 1 weight 0.11000E+01 volume 0.59683E-02 ppm1 1.592 ppm2 1.476 CV 1
ASSI { 5643}
(( segid "ocre" and resid 10 and name HB1 ))
(( segid "ocre" and resid 10 and name HB2 ))
1.900 0.500 0.500 peak 5643 spectrum 1 weight 0.11000E+01 volume 0.12440E-01 ppm1 1.805 ppm2 1.310 CV 1
ASSI { 5689}
(( segid "ocre" and resid 31 and name HB2 ))
(( segid "ocre" and resid 31 and name HG ))
3.100 1.200 1.200 peak 5689 spectrum 1 weight 0.11000E+01 volume 0.18719E-02 ppm1 1.407 ppm2 1.177 CV 1
ASSI { 5697}
(( segid "ocre" and resid 10 and name HB1 ))
(( segid "ocre" and resid 10 and name HG1 ))
2.600 0.800 0.800 peak 5697 spectrum 1 weight 0.11000E+01 volume 0.27317E-02 ppm1 1.811 ppm2 1.138 CV 1
ASSI { 5732}
(( segid "ocre" and resid 44 and name HB2 ))
( segid "ocre" and resid 44 and name HD2%)
2.900 1.000 1.000 peak 5732 spectrum 1 weight 0.11000E+01 volume 0.42099E-02 ppm1 1.643 ppm2 0.877 CV 1
ASSI { 5744}
(( segid "ocre" and resid 9 and name HB ))
( segid "ocre" and resid 9 and name HG1%)
2.300 0.700 0.700 peak 5744 spectrum 1 weight 0.11000E+01 volume 0.87349E-02 ppm1 1.866 ppm2 0.958 CV 1
ASSI { 5745}
(( segid "ocre" and resid 9 and name HB ))
( segid "ocre" and resid 9 and name HG2%)
2.300 0.700 0.700 peak 5745 spectrum 1 weight 0.11000E+01 volume 0.83164E-02 ppm1 1.867 ppm2 0.886 CV 1
ASSI { 5750}
(( segid "ocre" and resid 60 and name HG2 ))
( segid "ocre" and resid 59 and name HG1%)
4.300 2.300 1.700 peak 5750 spectrum 1 weight 0.11000E+01 volume 0.58490E-03 ppm1 1.826 ppm2 0.897 CV 1
ASSI { 5756}
(( segid "ocre" and resid 44 and name HG ))
( segid "ocre" and resid 44 and name HD2%)
2.300 0.700 0.700 peak 5756 spectrum 1 weight 0.11000E+01 volume 0.79217E-02 ppm1 1.606 ppm2 0.869 CV 1
ASSI { 5790}
(( segid "ocre" and resid 31 and name HB1 ))
( segid "ocre" and resid 31 and name HD1%)
3.500 1.500 1.500 peak 5790 spectrum 1 weight 0.11000E+01 volume 0.18645E-02 ppm1 1.685 ppm2 0.587 CV 1
ASSI { 5791}
(( segid "ocre" and resid 31 and name HB2 ))
( segid "ocre" and resid 31 and name HD1%)
2.600 2.600 3.400 peak 5791 spectrum 1 weight 0.11000E+01 volume 0.29154E-02 ppm1 1.409 ppm2 0.588 CV 1
ASSI { 5796}
(( segid "ocre" and resid 10 and name HB1 ))
( segid "ocre" and resid 12 and name HG2%)
3.900 1.900 1.900 peak 5796 spectrum 1 weight 0.11000E+01 volume 0.62665E-03 ppm1 1.814 ppm2 0.592 CV 1
ASSI { 5807}
(( segid "ocre" and resid 55 and name HG1 ))
( segid "ocre" and resid 59 and name HG2%)
3.600 3.600 2.400 peak 5807 spectrum 1 weight 0.11000E+01 volume 0.59067E-03 ppm1 1.488 ppm2 0.593 CV 1
ASSI { 5810}
(( segid "ocre" and resid 49 and name HG ))
( segid "ocre" and resid 49 and name HD2%)
2.200 0.600 0.600 peak 5810 spectrum 1 weight 0.11000E+01 volume 0.10589E-01 ppm1 1.463 ppm2 0.670 CV 1
ASSI { 5834}
(( segid "ocre" and resid 49 and name HB1 ))
( segid "ocre" and resid 31 and name HD2%)
4.800 2.900 1.200 peak 5834 spectrum 1 weight 0.11000E+01 volume 0.16061E-03 ppm1 1.588 ppm2 -0.076 CV 1
ASSI { 5837}
(( segid "ocre" and resid 31 and name HB1 ))
( segid "ocre" and resid 31 and name HD2%)
2.700 0.900 0.900 peak 5837 spectrum 1 weight 0.11000E+01 volume 0.28009E-02 ppm1 1.682 ppm2 -0.077 CV 1
ASSI { 5839}
(( segid "ocre" and resid 31 and name HB2 ))
( segid "ocre" and resid 31 and name HD2%)
2.900 1.000 1.000 peak 5839 spectrum 1 weight 0.11000E+01 volume 0.27349E-02 ppm1 1.406 ppm2 -0.078 CV 1
ASSI { 5872}
(( segid "ocre" and resid 59 and name HB ))
( segid "ocre" and resid 50 and name HD% )
4.100 4.100 1.900 peak 5872 spectrum 1 weight 0.11000E+01 volume 0.42190E-03 ppm1 1.337 ppm2 7.004 CV 1
ASSI { 5883}
( segid "ocre" and resid 61 and name HB% )
( segid "ocre" and resid 48 and name HD% )
2.300 2.300 3.700 peak 5883 spectrum 1 weight 0.11000E+01 volume 0.18515E-02 ppm1 1.231 ppm2 7.214 CV 1
ASSI { 5884}
( segid "ocre" and resid 61 and name HB% )
( segid "ocre" and resid 50 and name HD% )
2.900 2.900 3.100 peak 5884 spectrum 1 weight 0.11000E+01 volume 0.24607E-02 ppm1 1.230 ppm2 7.004 CV 1
ASSI { 5887}
( segid "ocre" and resid 9 and name HG1%)
(( segid "ocre" and resid 51 and name HZ2 ))
3.300 3.300 2.700 peak 5887 spectrum 1 weight 0.11000E+01 volume 0.14877E-02 ppm1 0.958 ppm2 7.125 CV 1
ASSI { 5888}
( segid "ocre" and resid 59 and name HG1%)
( segid "ocre" and resid 50 and name HD% )
3.800 3.800 2.200 peak 5888 spectrum 1 weight 0.11000E+01 volume 0.52773E-03 ppm1 0.900 ppm2 6.996 CV 1
ASSI { 5895}
(( segid "ocre" and resid 26 and name HB2 ))
( segid "ocre" and resid 15 and name HD% )
3.900 1.900 1.900 peak 5895 spectrum 1 weight 0.11000E+01 volume 0.29082E-03 ppm1 1.074 ppm2 6.825 CV 1
ASSI { 5897}
(( segid "ocre" and resid 59 and name HB ))
( segid "ocre" and resid 50 and name HE% )
3.800 1.800 1.800 peak 5897 spectrum 1 weight 0.11000E+01 volume 0.65711E-03 ppm1 1.339 ppm2 6.771 CV 1
ASSI { 5898}
(( segid "ocre" and resid 10 and name HB2 ))
( segid "ocre" and resid 40 and name HE% )
4.500 2.600 1.500 peak 5898 spectrum 1 weight 0.11000E+01 volume 0.19320E-03 ppm1 1.311 ppm2 6.880 CV 1
ASSI { 5901}
(( segid "ocre" and resid 10 and name HG1 ))
( segid "ocre" and resid 40 and name HE% )
4.100 2.100 1.900 peak 5901 spectrum 1 weight 0.11000E+01 volume 0.26161E-03 ppm1 1.142 ppm2 6.893 CV 1
ASSI { 5902}
(( segid "ocre" and resid 10 and name HG2 ))
( segid "ocre" and resid 40 and name HE% )
4.500 2.600 1.500 peak 5902 spectrum 1 weight 0.11000E+01 volume 0.12949E-03 ppm1 1.024 ppm2 6.882 CV 1
ASSI { 5911}
( segid "ocre" and resid 61 and name HB% )
( segid "ocre" and resid 50 and name HE% )
2.000 2.000 4.000 peak 5911 spectrum 1 weight 0.11000E+01 volume 0.43430E-02 ppm1 1.229 ppm2 6.744 CV 1
ASSI { 5974}
(( segid "ocre" and resid 10 and name HG1 ))
( segid "ocre" and resid 15 and name HE% )
5.400 3.600 0.600 peak 5974 spectrum 1 weight 0.11000E+01 volume 0.10745E-03 ppm1 1.134 ppm2 6.230 CV 1
ASSI { 6013}
( segid "ocre" and resid 29 and name HG2%)
( segid "ocre" and resid 58 and name HE% )
3.300 3.300 2.700 peak 6013 spectrum 1 weight 0.11000E+01 volume 0.12263E-02 ppm1 1.034 ppm2 5.797 CV 1
ASSI { 6192}
(( segid "ocre" and resid 6 and name HD1 ))
(( segid "ocre" and resid 6 and name HA ))
3.600 1.600 1.600 peak 6192 spectrum 1 weight 0.11000E+01 volume 0.15164E-02 ppm1 1.251 ppm2 4.377 CV 1
ASSI { 6202}
( segid "ocre" and resid 2 and name HB% )
(( segid "ocre" and resid 2 and name HA ))
2.100 2.100 3.900 peak 6202 spectrum 1 weight 0.11000E+01 volume 0.15380E-01 ppm1 1.305 ppm2 4.313 CV 1
ASSI { 6246}
(( segid "ocre" and resid 55 and name HG2 ))
(( segid "ocre" and resid 55 and name HA ))
3.300 1.400 1.400 peak 6246 spectrum 1 weight 0.11000E+01 volume 0.10271E-02 ppm1 1.375 ppm2 3.968 CV 1
ASSI { 6249}
(( segid "ocre" and resid 55 and name HD1 ))
(( segid "ocre" and resid 55 and name HA ))
2.800 1.000 1.000 peak 6249 spectrum 1 weight 0.11000E+01 volume 0.21155E-02 ppm1 1.309 ppm2 3.968 CV 1
ASSI { 6262}
( segid "ocre" and resid 44 and name HD2%)
(( segid "ocre" and resid 43 and name HB2 ))
2.900 2.900 3.100 peak 6262 spectrum 1 weight 0.11000E+01 volume 0.48485E-03 ppm1 0.859 ppm2 3.804 CV 1
ASSI { 6263}
( segid "ocre" and resid 28 and name HG2%)
(( segid "ocre" and resid 28 and name HA ))
2.500 0.800 0.800 peak 6263 spectrum 1 weight 0.11000E+01 volume 0.58466E-02 ppm1 1.214 ppm2 4.057 CV 1
ASSI { 6307}
( segid "ocre" and resid 9 and name HG2%)
(( segid "ocre" and resid 9 and name HA ))
2.500 0.800 0.800 peak 6307 spectrum 1 weight 0.11000E+01 volume 0.50396E-02 ppm1 0.895 ppm2 3.793 CV 1
ASSI { 6365}
(( segid "ocre" and resid 55 and name HD1 ))
(( segid "ocre" and resid 55 and name HE1 ))
2.900 1.100 1.100 peak 6365 spectrum 1 weight 0.11000E+01 volume 0.25204E-02 ppm1 1.309 ppm2 2.874 CV 1
ASSI { 6366}
(( segid "ocre" and resid 55 and name HD2 ))
(( segid "ocre" and resid 55 and name HE1 ))
2.800 0.900 0.900 peak 6366 spectrum 1 weight 0.11000E+01 volume 0.24359E-02 ppm1 1.209 ppm2 2.873 CV 1
ASSI { 6436}
(( segid "ocre" and resid 10 and name HB2 ))
(( segid "ocre" and resid 10 and name HD1 ))
3.800 1.800 1.800 peak 6436 spectrum 1 weight 0.11000E+01 volume 0.10854E-02 ppm1 1.308 ppm2 2.456 CV 1
ASSI { 6442}
(( segid "ocre" and resid 10 and name HG1 ))
(( segid "ocre" and resid 10 and name HD1 ))
2.800 1.000 1.000 peak 6442 spectrum 1 weight 0.11000E+01 volume 0.17925E-02 ppm1 1.136 ppm2 2.463 CV 1
ASSI { 6462}
( segid "ocre" and resid 45 and name HG2%)
(( segid "ocre" and resid 47 and name HG1 ))
3.700 1.700 1.700 peak 6462 spectrum 1 weight 0.11000E+01 volume 0.11528E-02 ppm1 0.996 ppm2 2.262 CV 1
ASSI { 6494}
(( segid "ocre" and resid 10 and name HB2 ))
(( segid "ocre" and resid 10 and name HD2 ))
3.600 1.700 1.700 peak 6494 spectrum 1 weight 0.11000E+01 volume 0.59227E-03 ppm1 1.309 ppm2 2.101 CV 1
ASSI { 6506}
(( segid "ocre" and resid 10 and name HG1 ))
(( segid "ocre" and resid 10 and name HD2 ))
3.600 1.600 1.600 peak 6506 spectrum 1 weight 0.11000E+01 volume 0.11518E-02 ppm1 1.138 ppm2 2.093 CV 1
ASSI { 6507}
(( segid "ocre" and resid 10 and name HG2 ))
(( segid "ocre" and resid 10 and name HD2 ))
3.100 1.200 1.200 peak 6507 spectrum 1 weight 0.11000E+01 volume 0.10530E-02 ppm1 1.016 ppm2 2.099 CV 1
ASSI { 6570}
( segid "ocre" and resid 44 and name HD1%)
(( segid "ocre" and resid 44 and name HB1 ))
2.700 0.900 0.900 peak 6570 spectrum 1 weight 0.11000E+01 volume 0.48245E-02 ppm1 0.905 ppm2 1.830 CV 1
ASSI { 6572}
( segid "ocre" and resid 44 and name HD2%)
(( segid "ocre" and resid 44 and name HB1 ))
2.700 2.700 3.300 peak 6572 spectrum 1 weight 0.11000E+01 volume 0.33567E-02 ppm1 0.853 ppm2 1.831 CV 1
ASSI { 6575}
( segid "ocre" and resid 45 and name HG2%)
(( segid "ocre" and resid 47 and name HB2 ))
2.900 2.900 3.100 peak 6575 spectrum 1 weight 0.11000E+01 volume 0.45963E-02 ppm1 1.000 ppm2 1.622 CV 1
ASSI { 6786}
(( segid "ocre" and resid 10 and name HB2 ))
(( segid "ocre" and resid 10 and name HG1 ))
2.800 1.000 1.000 peak 6786 spectrum 1 weight 0.11000E+01 volume 0.51065E-02 ppm1 1.306 ppm2 1.139 CV 1
ASSI { 6787}
(( segid "ocre" and resid 10 and name HB2 ))
(( segid "ocre" and resid 10 and name HG2 ))
2.700 0.900 0.900 peak 6787 spectrum 1 weight 0.11000E+01 volume 0.24149E-02 ppm1 1.308 ppm2 1.017 CV 1
ASSI { 6903}
(( segid "ocre" and resid 59 and name HB ))
( segid "ocre" and resid 59 and name HG1%)
2.400 0.700 0.700 peak 6903 spectrum 1 weight 0.11000E+01 volume 0.67735E-02 ppm1 1.339 ppm2 0.898 CV 1
ASSI { 6993}
(( segid "ocre" and resid 10 and name HB2 ))
( segid "ocre" and resid 12 and name HG2%)
3.100 3.100 2.900 peak 6993 spectrum 1 weight 0.11000E+01 volume 0.13257E-02 ppm1 1.313 ppm2 0.590 CV 1
ASSI { 6998}
(( segid "ocre" and resid 55 and name HG2 ))
( segid "ocre" and resid 59 and name HG2%)
3.600 3.600 2.400 peak 6998 spectrum 1 weight 0.11000E+01 volume 0.99440E-03 ppm1 1.371 ppm2 0.594 CV 1
ASSI { 7003}
(( segid "ocre" and resid 31 and name HG ))
( segid "ocre" and resid 31 and name HD1%)
2.400 0.700 0.700 peak 7003 spectrum 1 weight 0.11000E+01 volume 0.60026E-02 ppm1 1.168 ppm2 0.587 CV 1
ASSI { 7082}
(( segid "ocre" and resid 31 and name HG ))
( segid "ocre" and resid 31 and name HD2%)
2.500 0.800 0.800 peak 7082 spectrum 1 weight 0.11000E+01 volume 0.49287E-02 ppm1 1.167 ppm2 -0.078 CV 1
ASSI { 7119}
( segid "ocre" and resid 31 and name HD1%)
( segid "ocre" and resid 40 and name HD% )
4.000 4.000 2.000 peak 7119 spectrum 1 weight 0.11000E+01 volume 0.80649E-03 ppm1 0.588 ppm2 7.249 CV 1
ASSI { 7120}
( segid "ocre" and resid 57 and name HG2%)
( segid "ocre" and resid 7 and name HD% )
4.700 4.700 1.300 peak 7120 spectrum 1 weight 0.11000E+01 volume 0.20771E-03 ppm1 0.758 ppm2 7.239 CV 1
ASSI { 7136}
( segid "ocre" and resid 57 and name HG2%)
( segid "ocre" and resid 7 and name HE% )
5.100 5.100 0.900 peak 7136 spectrum 1 weight 0.11000E+01 volume 0.12211E-03 ppm1 0.761 ppm2 6.805 CV 1
ASSI { 7153}
( segid "ocre" and resid 12 and name HG2%)
( segid "ocre" and resid 33 and name HD% )
3.800 1.800 1.800 peak 7153 spectrum 1 weight 0.11000E+01 volume 0.43892E-03 ppm1 0.591 ppm2 5.962 CV 1
ASSI { 7157}
( segid "ocre" and resid 49 and name HD2%)
(( segid "ocre" and resid 49 and name HA ))
3.200 1.300 1.300 peak 7157 spectrum 1 weight 0.11000E+01 volume 0.99778E-03 ppm1 0.685 ppm2 5.479 CV 1
ASSI { 7170}
( segid "ocre" and resid 57 and name HG2%)
(( segid "ocre" and resid 58 and name HA ))
4.200 2.200 1.800 peak 7170 spectrum 1 weight 0.11000E+01 volume 0.29519E-03 ppm1 0.753 ppm2 4.895 CV 1
ASSI { 7177}
( segid "ocre" and resid 49 and name HD2%)
(( segid "ocre" and resid 60 and name HA ))
3.500 3.500 2.500 peak 7177 spectrum 1 weight 0.11000E+01 volume 0.71372E-03 ppm1 0.686 ppm2 4.688 CV 1
ASSI { 7179}
( segid "ocre" and resid 49 and name HD1%)
(( segid "ocre" and resid 60 and name HA ))
2.800 1.000 1.000 peak 7179 spectrum 1 weight 0.11000E+01 volume 0.68214E-02 ppm1 0.631 ppm2 4.691 CV 1
ASSI { 7188}
( segid "ocre" and resid 31 and name HD1%)
(( segid "ocre" and resid 29 and name HA ))
4.800 2.900 1.200 peak 7188 spectrum 1 weight 0.11000E+01 volume 0.22881E-03 ppm1 0.590 ppm2 4.247 CV 1
ASSI { 7201}
( segid "ocre" and resid 31 and name HD1%)
(( segid "ocre" and resid 30 and name HA1 ))
4.500 4.500 1.500 peak 7201 spectrum 1 weight 0.11000E+01 volume 0.14381E-03 ppm1 0.589 ppm2 4.011 CV 1
ASSI { 7214}
( segid "ocre" and resid 49 and name HD1%)
(( segid "ocre" and resid 60 and name HD1 ))
3.200 1.200 1.200 peak 7214 spectrum 1 weight 0.11000E+01 volume 0.16993E-02 ppm1 0.633 ppm2 3.792 CV 1
ASSI { 7215}
( segid "ocre" and resid 49 and name HD1%)
(( segid "ocre" and resid 60 and name HD2 ))
4.000 2.000 2.000 peak 7215 spectrum 1 weight 0.11000E+01 volume 0.92311E-03 ppm1 0.630 ppm2 3.648 CV 1
ASSI { 7217}
( segid "ocre" and resid 59 and name HG2%)
(( segid "ocre" and resid 60 and name HD1 ))
3.700 1.800 1.800 peak 7217 spectrum 1 weight 0.11000E+01 volume 0.12155E-02 ppm1 0.594 ppm2 3.792 CV 1
ASSI { 7218}
( segid "ocre" and resid 12 and name HG2%)
(( segid "ocre" and resid 12 and name HB ))
2.300 0.600 0.600 peak 7218 spectrum 1 weight 0.11000E+01 volume 0.90145E-02 ppm1 0.590 ppm2 3.623 CV 1
ASSI { 7240}
( segid "ocre" and resid 49 and name HD2%)
(( segid "ocre" and resid 58 and name HB1 ))
2.900 1.000 1.000 peak 7240 spectrum 1 weight 0.11000E+01 volume 0.19182E-02 ppm1 0.686 ppm2 2.559 CV 1
ASSI { 7251}
( segid "ocre" and resid 49 and name HD1%)
(( segid "ocre" and resid 60 and name HB1 ))
3.000 1.100 1.100 peak 7251 spectrum 1 weight 0.11000E+01 volume 0.26476E-02 ppm1 0.633 ppm2 2.301 CV 1
ASSI { 7259}
( segid "ocre" and resid 49 and name HD1%)
(( segid "ocre" and resid 60 and name HG1 ))
3.500 1.500 1.500 peak 7259 spectrum 1 weight 0.11000E+01 volume 0.10606E-02 ppm1 0.638 ppm2 2.128 CV 1
ASSI { 7263}
( segid "ocre" and resid 59 and name HG2%)
(( segid "ocre" and resid 52 and name HB2 ))
2.600 0.900 0.900 peak 7263 spectrum 1 weight 0.11000E+01 volume 0.40749E-02 ppm1 0.593 ppm2 2.128 CV 1
ASSI { 7266}
( segid "ocre" and resid 49 and name HD1%)
(( segid "ocre" and resid 60 and name HB2 ))
3.500 3.500 2.500 peak 7266 spectrum 1 weight 0.11000E+01 volume 0.24162E-02 ppm1 0.633 ppm2 1.921 CV 1
ASSI { 7267}
( segid "ocre" and resid 49 and name HD1%)
(( segid "ocre" and resid 60 and name HG2 ))
3.300 3.300 2.700 peak 7267 spectrum 1 weight 0.11000E+01 volume 0.26917E-02 ppm1 0.633 ppm2 1.834 CV 1
ASSI { 7271}
( segid "ocre" and resid 57 and name HG2%)
(( segid "ocre" and resid 55 and name HB1 ))
2.400 0.700 0.700 peak 7271 spectrum 1 weight 0.11000E+01 volume 0.52897E-02 ppm1 0.754 ppm2 1.654 CV 1
ASSI { 7276}
( segid "ocre" and resid 49 and name HD2%)
(( segid "ocre" and resid 49 and name HB1 ))
2.500 0.800 0.800 peak 7276 spectrum 1 weight 0.11000E+01 volume 0.37967E-02 ppm1 0.685 ppm2 1.599 CV 1
ASSI { 7279}
( segid "ocre" and resid 49 and name HD1%)
(( segid "ocre" and resid 49 and name HB1 ))
2.600 2.600 3.400 peak 7279 spectrum 1 weight 0.11000E+01 volume 0.44339E-02 ppm1 0.634 ppm2 1.599 CV 1
ASSI { 7280}
( segid "ocre" and resid 49 and name HD1%)
(( segid "ocre" and resid 49 and name HB2 ))
2.300 2.300 3.700 peak 7280 spectrum 1 weight 0.11000E+01 volume 0.75346E-02 ppm1 0.633 ppm2 1.464 CV 1
ASSI { 7282}
( segid "ocre" and resid 59 and name HG2%)
(( segid "ocre" and resid 59 and name HB ))
2.300 0.700 0.700 peak 7282 spectrum 1 weight 0.11000E+01 volume 0.78805E-02 ppm1 0.591 ppm2 1.341 CV 1
ASSI { 7309}
( segid "ocre" and resid 57 and name HG2%)
(( segid "ocre" and resid 55 and name HB2 ))
2.700 0.900 0.900 peak 7309 spectrum 1 weight 0.11000E+01 volume 0.52267E-02 ppm1 0.752 ppm2 1.080 CV 1
ASSI { 7353}
( segid "ocre" and resid 59 and name HG2%)
( segid "ocre" and resid 59 and name HG1%)
2.200 2.200 3.800 peak 7353 spectrum 1 weight 0.11000E+01 volume 0.13475E-01 ppm1 0.592 ppm2 0.898 CV 1
ASSI { 7466}
( segid "ocre" and resid 49 and name HD2%)
( segid "ocre" and resid 31 and name HD2%)
3.000 3.000 3.000 peak 7466 spectrum 1 weight 0.11000E+01 volume 0.27666E-02 ppm1 0.684 ppm2 -0.078 CV 1
ASSI { 7475}
( segid "ocre" and resid 31 and name HD1%)
( segid "ocre" and resid 31 and name HD2%)
2.400 0.700 0.700 peak 7475 spectrum 1 weight 0.11000E+01 volume 0.72976E-02 ppm1 0.585 ppm2 -0.077 CV 1
ASSI { 7494}
( segid "ocre" and resid 31 and name HD2%)
( segid "ocre" and resid 58 and name HE% )
3.500 1.500 1.500 peak 7494 spectrum 1 weight 0.11000E+01 volume 0.67211E-03 ppm1 -0.078 ppm2 5.796 CV 1
ASSI { 7495}
( segid "ocre" and resid 31 and name HD2%)
(( segid "ocre" and resid 40 and name HA ))
5.000 3.100 1.000 peak 7495 spectrum 1 weight 0.11000E+01 volume 0.17092E-03 ppm1 -0.078 ppm2 5.656 CV 1
ASSI { 7504}
( segid "ocre" and resid 31 and name HD2%)
(( segid "ocre" and resid 40 and name HB2 ))
3.700 1.700 1.700 peak 7504 spectrum 1 weight 0.11000E+01 volume 0.13488E-02 ppm1 -0.079 ppm2 2.943 CV 1
ASSI { 7513}
( segid "ocre" and resid 31 and name HD2%)
(( segid "ocre" and resid 42 and name HB2 ))
4.200 2.200 1.800 peak 7513 spectrum 1 weight 0.11000E+01 volume 0.23535E-03 ppm1 -0.085 ppm2 2.022 CV 1
ASSI { 7530}
( segid "ocre" and resid 31 and name HD2%)
( segid "ocre" and resid 29 and name HG2%)
2.400 2.400 3.600 peak 7530 spectrum 1 weight 0.11000E+01 volume 0.16169E-02 ppm1 -0.081 ppm2 1.037 CV 1
ASSI { 7583}
(( segid "ocre" and resid 31 and name HG ))
(( segid "ocre" and resid 31 and name HB1 ))
2.700 0.900 0.900 peak 7583 spectrum 1 weight 0.11000E+01 volume 0.22373E-02 ppm1 1.171 ppm2 1.701 CV 1
ASSI { 7588}
( segid "ocre" and resid 44 and name HD1%)
(( segid "ocre" and resid 44 and name HA ))
3.000 3.000 3.000 peak 7588 spectrum 1 weight 0.11000E+01 volume 0.27068E-02 ppm1 0.893 ppm2 4.316 CV 1
ASSI { 7593}
(( segid "ocre" and resid 49 and name HG ))
(( segid "ocre" and resid 60 and name HA ))
3.500 1.500 1.500 peak 7593 spectrum 1 weight 0.11000E+01 volume 0.12937E-02 ppm1 1.469 ppm2 4.707 CV 1
ASSI { 7594}
(( segid "ocre" and resid 49 and name HG ))
(( segid "ocre" and resid 49 and name HA ))
3.100 1.200 1.200 peak 7594 spectrum 1 weight 0.11000E+01 volume 0.12250E-02 ppm1 1.469 ppm2 5.508 CV 1
ASSI { 7599}
(( segid "ocre" and resid 60 and name HG2 ))
(( segid "ocre" and resid 60 and name HA ))
3.500 1.500 1.500 peak 7599 spectrum 1 weight 0.11000E+01 volume 0.14081E-02 ppm1 1.842 ppm2 4.707 CV 1
ASSI { 7603}
(( segid "ocre" and resid 60 and name HG1 ))
(( segid "ocre" and resid 60 and name HA ))
3.400 1.500 1.500 peak 7603 spectrum 1 weight 0.11000E+01 volume 0.12828E-02 ppm1 2.147 ppm2 4.688 CV 1
ASSI { 7607}
(( segid "ocre" and resid 16 and name HB1 ))
(( segid "ocre" and resid 16 and name HB2 ))
1.500 0.300 0.700 peak 7607 spectrum 1 weight 0.11000E+01 volume 0.66418E-01 ppm1 2.239 ppm2 2.237 CV 1
ASSI { 7610}
(( segid "ocre" and resid 22 and name HA1 ))
( segid "ocre" and resid 17 and name HE% )
3.700 1.700 1.700 peak 7610 spectrum 1 weight 0.11000E+01 volume 0.10551E-02 ppm1 4.051 ppm2 6.504 CV 1
ASSI { 7612}
(( segid "ocre" and resid 30 and name HA2 ))
(( segid "ocre" and resid 30 and name HA1 ))
2.000 0.500 0.500 peak 7612 spectrum 1 weight 0.11000E+01 volume 0.11558E-01 ppm1 3.538 ppm2 4.003 CV 1
ASSI { 7625}
(( segid "ocre" and resid 53 and name HA2 ))
(( segid "ocre" and resid 51 and name HD1 ))
4.300 2.300 1.700 peak 7625 spectrum 1 weight 0.11000E+01 volume 0.30543E-03 ppm1 3.556 ppm2 6.917 CV 1
ASSI { 7629}
(( segid "ocre" and resid 53 and name HA1 ))
(( segid "ocre" and resid 56 and name HA ))
4.900 3.000 1.100 peak 7629 spectrum 1 weight 0.11000E+01 volume 0.34188E-03 ppm1 3.782 ppm2 2.985 CV 1
ASSI { 7633}
(( segid "ocre" and resid 53 and name HA1 ))
(( segid "ocre" and resid 51 and name HD1 ))
4.400 2.400 1.600 peak 7633 spectrum 1 weight 0.11000E+01 volume 0.25290E-03 ppm1 3.778 ppm2 6.918 CV 1
ASSI { 7649}
(( segid "ocre" and resid 37 and name HA ))
( segid "ocre" and resid 39 and name HD% )
3.400 3.400 2.600 peak 7649 spectrum 1 weight 0.11000E+01 volume 0.13310E-02 ppm1 4.194 ppm2 7.225 CV 1
ASSI { 7652}
(( segid "ocre" and resid 43 and name HB2 ))
(( segid "ocre" and resid 43 and name HB1 ))
1.800 0.400 0.400 peak 7652 spectrum 1 weight 0.11000E+01 volume 0.14344E-01 ppm1 3.833 ppm2 4.082 CV 1
ASSI { 7653}
(( segid "ocre" and resid 64 and name HA ))
(( segid "ocre" and resid 64 and name HB1 ))
2.400 0.700 0.700 peak 7653 spectrum 1 weight 0.11000E+01 volume 0.81756E-02 ppm1 4.209 ppm2 3.852 CV 1
ASSI { 7675}
(( segid "ocre" and resid 34 and name HA ))
(( segid "ocre" and resid 34 and name HB2 ))
2.600 0.800 0.800 peak 7675 spectrum 1 weight 0.11000E+01 volume 0.26598E-02 ppm1 4.952 ppm2 2.031 CV 1
ASSI { 7683}
(( segid "ocre" and resid 47 and name HG1 ))
(( segid "ocre" and resid 47 and name HB1 ))
2.600 0.900 0.900 peak 7683 spectrum 1 weight 0.11000E+01 volume 0.61283E-02 ppm1 2.274 ppm2 1.898 CV 1
ASSI { 7691}
(( segid "ocre" and resid 56 and name HB1 ))
(( segid "ocre" and resid 51 and name HH2 ))
3.700 1.700 1.700 peak 7691 spectrum 1 weight 0.11000E+01 volume 0.57951E-03 ppm1 2.106 ppm2 6.683 CV 1
ASSI { 7699}
(( segid "ocre" and resid 6 and name HB1 ))
(( segid "ocre" and resid 6 and name HB2 ))
1.500 0.300 0.700 peak 7699 spectrum 1 weight 0.11000E+01 volume 0.65767E-01 ppm1 1.641 ppm2 1.632 CV 1
ASSI { 7700}
(( segid "ocre" and resid 55 and name HG2 ))
(( segid "ocre" and resid 55 and name HE1 ))
2.700 0.900 0.900 peak 7700 spectrum 1 weight 0.11000E+01 volume 0.45330E-02 ppm1 1.371 ppm2 2.867 CV 1
ASSI { 7702}
(( segid "ocre" and resid 6 and name HG1 ))
(( segid "ocre" and resid 6 and name HE1 ))
3.100 1.200 1.200 peak 7702 spectrum 1 weight 0.11000E+01 volume 0.25283E-02 ppm1 1.586 ppm2 2.895 CV 1
ASSI { 7703}
(( segid "ocre" and resid 6 and name HB2 ))
(( segid "ocre" and resid 6 and name HG1 ))
1.500 1.500 4.500 peak 7703 spectrum 1 weight 0.11000E+01 volume 0.99053E-01 ppm1 1.631 ppm2 1.627 CV 1
ASSI { 7704}
(( segid "ocre" and resid 6 and name HD1 ))
(( segid "ocre" and resid 6 and name HE1 ))
3.000 1.100 1.100 peak 7704 spectrum 1 weight 0.11000E+01 volume 0.18724E-02 ppm1 1.244 ppm2 2.894 CV 1
ASSI { 7705}
(( segid "ocre" and resid 27 and name HB2 ))
(( segid "ocre" and resid 27 and name HA ))
2.900 1.100 1.100 peak 7705 spectrum 1 weight 0.11000E+01 volume 0.38266E-02 ppm1 2.007 ppm2 3.940 CV 1
ASSI { 7707}
(( segid "ocre" and resid 58 and name HB1 ))
(( segid "ocre" and resid 58 and name HB2 ))
1.800 0.400 0.400 peak 7707 spectrum 1 weight 0.11000E+01 volume 0.14375E-01 ppm1 2.574 ppm2 2.578 CV 1
ASSI { 7709}
(( segid "ocre" and resid 50 and name HB2 ))
(( segid "ocre" and resid 50 and name HB1 ))
2.100 0.500 0.500 peak 7709 spectrum 1 weight 0.11000E+01 volume 0.82111E-02 ppm1 3.053 ppm2 3.300 CV 1
ASSI { 7714}
(( segid "ocre" and resid 41 and name HB1 ))
(( segid "ocre" and resid 41 and name HB2 ))
1.900 0.400 0.400 peak 7714 spectrum 1 weight 0.11000E+01 volume 0.97653E-02 ppm1 2.661 ppm2 2.464 CV 1
ASSI { 7720}
(( segid "ocre" and resid 41 and name HB2 ))
( segid "ocre" and resid 48 and name HD% )
3.100 3.100 2.900 peak 7720 spectrum 1 weight 0.11000E+01 volume 0.10027E-02 ppm1 2.458 ppm2 7.247 CV 1
ASSI { 7722}
(( segid "ocre" and resid 41 and name HB1 ))
( segid "ocre" and resid 48 and name HD% )
3.800 1.800 1.800 peak 7722 spectrum 1 weight 0.11000E+01 volume 0.17630E-02 ppm1 2.666 ppm2 7.243 CV 1
ASSI { 7725}
(( segid "ocre" and resid 40 and name HA ))
( segid "ocre" and resid 40 and name HD% )
3.100 1.200 1.200 peak 7725 spectrum 1 weight 0.11000E+01 volume 0.15360E-02 ppm1 5.640 ppm2 7.240 CV 1
ASSI { 7731}
(( segid "ocre" and resid 15 and name HB2 ))
(( segid "ocre" and resid 15 and name HB1 ))
1.800 0.400 0.400 peak 7731 spectrum 1 weight 0.11000E+01 volume 0.10455E-01 ppm1 3.220 ppm2 3.211 CV 1
ASSI { 7737}
(( segid "ocre" and resid 24 and name HB2 ))
(( segid "ocre" and resid 24 and name HB1 ))
2.200 0.600 0.600 peak 7737 spectrum 1 weight 0.11000E+01 volume 0.42104E-02 ppm1 3.130 ppm2 3.344 CV 1
ASSI { 7742}
(( segid "ocre" and resid 23 and name HB2 ))
( segid "ocre" and resid 23 and name HD% )
3.000 1.100 1.100 peak 7742 spectrum 1 weight 0.11000E+01 volume 0.14979E-02 ppm1 3.099 ppm2 6.934 CV 1
ASSI { 7744}
(( segid "ocre" and resid 31 and name HA ))
(( segid "ocre" and resid 42 and name HA ))
2.900 1.100 1.100 peak 7744 spectrum 1 weight 0.11000E+01 volume 0.16077E-02 ppm1 4.538 ppm2 4.842 CV 1
ASSI { 7747}
(( segid "ocre" and resid 43 and name HA ))
(( segid "ocre" and resid 46 and name HA ))
2.800 0.900 0.900 peak 7747 spectrum 1 weight 0.11000E+01 volume 0.14640E-02 ppm1 3.805 ppm2 3.553 CV 1
ASSI { 7748}
(( segid "ocre" and resid 15 and name HA ))
(( segid "ocre" and resid 26 and name HA ))
2.600 0.800 0.800 peak 7748 spectrum 1 weight 0.11000E+01 volume 0.26082E-02 ppm1 4.965 ppm2 4.639 CV 1
ASSI { 7752}
(( segid "ocre" and resid 15 and name HB1 ))
( segid "ocre" and resid 15 and name HE% )
4.600 2.600 1.400 peak 7752 spectrum 1 weight 0.11000E+01 volume 0.33597E-03 ppm1 3.207 ppm2 6.228 CV 1
ASSI { 7754}
(( segid "ocre" and resid 15 and name HB2 ))
(( segid "ocre" and resid 27 and name HD1 ))
5.500 3.800 0.500 peak 7754 spectrum 1 weight 0.11000E+01 volume 0.18586E-03 ppm1 3.214 ppm2 4.023 CV 1
ASSI { 7755}
(( segid "ocre" and resid 15 and name HB1 ))
(( segid "ocre" and resid 12 and name HB ))
4.900 3.000 1.100 peak 7755 spectrum 1 weight 0.11000E+01 volume 0.28988E-03 ppm1 3.214 ppm2 3.616 CV 1
ASSI { 7756}
(( segid "ocre" and resid 15 and name HB1 ))
(( segid "ocre" and resid 12 and name HA ))
5.400 3.600 0.600 peak 7756 spectrum 1 weight 0.11000E+01 volume 0.27798E-03 ppm1 3.212 ppm2 2.462 CV 1
ASSI { 7758}
(( segid "ocre" and resid 15 and name HB2 ))
(( segid "ocre" and resid 26 and name HB2 ))
5.500 3.800 0.500 peak 7758 spectrum 1 weight 0.11000E+01 volume 0.84342E-04 ppm1 3.208 ppm2 1.090 CV 1
ASSI { 7761}
(( segid "ocre" and resid 17 and name HB1 ))
( segid "ocre" and resid 24 and name HD% )
4.100 4.100 1.900 peak 7761 spectrum 1 weight 0.11000E+01 volume 0.69824E-03 ppm1 2.776 ppm2 7.234 CV 1
ASSI { 7763}
(( segid "ocre" and resid 25 and name HB1 ))
( segid "ocre" and resid 25 and name HE% )
4.200 2.200 1.800 peak 7763 spectrum 1 weight 0.11000E+01 volume 0.70058E-03 ppm1 2.697 ppm2 6.377 CV 1
ASSI { 7764}
(( segid "ocre" and resid 25 and name HB1 ))
( segid "ocre" and resid 32 and name HE% )
3.700 3.700 2.300 peak 7764 spectrum 1 weight 0.11000E+01 volume 0.13210E-02 ppm1 2.698 ppm2 6.791 CV 1
ASSI { 7765}
(( segid "ocre" and resid 25 and name HB1 ))
( segid "ocre" and resid 32 and name HD% )
4.000 2.000 2.000 peak 7765 spectrum 1 weight 0.11000E+01 volume 0.11246E-02 ppm1 2.689 ppm2 7.270 CV 1
ASSI { 7768}
(( segid "ocre" and resid 32 and name HB1 ))
( segid "ocre" and resid 32 and name HD% )
2.500 2.500 3.500 peak 7768 spectrum 1 weight 0.11000E+01 volume 0.37882E-02 ppm1 3.101 ppm2 7.277 CV 1
ASSI { 7770}
(( segid "ocre" and resid 32 and name HB1 ))
( segid "ocre" and resid 32 and name HE% )
4.000 4.000 2.000 peak 7770 spectrum 1 weight 0.11000E+01 volume 0.87985E-03 ppm1 3.094 ppm2 6.774 CV 1
ASSI { 7771}
(( segid "ocre" and resid 37 and name HB1 ))
(( segid "ocre" and resid 36 and name HB2 ))
4.500 2.500 1.500 peak 7771 spectrum 1 weight 0.11000E+01 volume 0.30321E-03 ppm1 3.684 ppm2 2.796 CV 1
ASSI { 7774}
(( segid "ocre" and resid 37 and name HB2 ))
(( segid "sm_n" and resid 106 and name HB2 ))
3.900 1.900 1.900 peak 7774 spectrum 1 weight 0.11000E+01 volume 0.24452E-03 ppm1 3.679 ppm2 1.819 CV 1
ASSI { 7778}
(( segid "ocre" and resid 21 and name HA ))
( segid "ocre" and resid 23 and name HE% )
4.400 2.400 1.600 peak 7778 spectrum 1 weight 0.11000E+01 volume 0.22319E-03 ppm1 4.307 ppm2 6.555 CV 1
ASSI { 7779}
(( segid "ocre" and resid 43 and name HB2 ))
( segid "ocre" and resid 32 and name HE% )
3.400 3.400 2.600 peak 7779 spectrum 1 weight 0.11000E+01 volume 0.12100E-02 ppm1 3.827 ppm2 6.791 CV 1
ASSI { 7780}
(( segid "ocre" and resid 9 and name HB ))
(( segid "ocre" and resid 51 and name HZ2 ))
4.900 2.900 1.100 peak 7780 spectrum 1 weight 0.11000E+01 volume 0.16431E-03 ppm1 1.862 ppm2 7.124 CV 1
ASSI { 7782}
(( segid "ocre" and resid 59 and name HB ))
(( segid "ocre" and resid 60 and name HG1 ))
4.700 2.800 1.300 peak 7782 spectrum 1 weight 0.11000E+01 volume 0.46262E-03 ppm1 1.332 ppm2 2.125 CV 1
ASSI { 7785}
( segid "ocre" and resid 59 and name HG1%)
( segid "ocre" and resid 50 and name HE% )
3.100 3.100 2.900 peak 7785 spectrum 1 weight 0.11000E+01 volume 0.17541E-02 ppm1 0.892 ppm2 6.769 CV 1
ASSI { 7788}
(( segid "ocre" and resid 60 and name HG1 ))
( segid "ocre" and resid 59 and name HG1%)
4.000 2.000 2.000 peak 7788 spectrum 1 weight 0.11000E+01 volume 0.10710E-02 ppm1 2.124 ppm2 0.893 CV 1
ASSI { 7792}
( segid "ocre" and resid 59 and name HG1%)
(( segid "ocre" and resid 60 and name HD1 ))
3.100 1.200 1.200 peak 7792 spectrum 1 weight 0.11000E+01 volume 0.48079E-02 ppm1 0.891 ppm2 3.790 CV 1
ASSI { 7793}
( segid "ocre" and resid 59 and name HG1%)
(( segid "ocre" and resid 60 and name HD2 ))
3.000 1.100 1.100 peak 7793 spectrum 1 weight 0.11000E+01 volume 0.35310E-02 ppm1 0.894 ppm2 3.645 CV 1
ASSI { 7794}
(( segid "ocre" and resid 36 and name HB2 ))
(( segid "ocre" and resid 37 and name HA ))
4.200 2.200 1.800 peak 7794 spectrum 1 weight 0.11000E+01 volume 0.36065E-03 ppm1 2.801 ppm2 4.195 CV 1
ASSI { 7799}
(( segid "ocre" and resid 42 and name HA ))
( segid "ocre" and resid 31 and name HD2%)
4.100 2.100 1.900 peak 7799 spectrum 1 weight 0.11000E+01 volume 0.55235E-03 ppm1 4.822 ppm2 -0.083 CV 1
ASSI { 7800}
(( segid "ocre" and resid 11 and name HB2 ))
( segid "ocre" and resid 14 and name HG2%)
3.100 1.200 1.200 peak 7800 spectrum 1 weight 0.11000E+01 volume 0.12914E-02 ppm1 2.436 ppm2 1.100 CV 1
ASSI { 7802}
(( segid "ocre" and resid 11 and name HA ))
( segid "ocre" and resid 14 and name HG2%)
4.500 4.500 1.500 peak 7802 spectrum 1 weight 0.11000E+01 volume 0.32650E-03 ppm1 4.550 ppm2 1.107 CV 1
ASSI { 7805}
(( segid "ocre" and resid 26 and name HB1 ))
(( segid "ocre" and resid 27 and name HD1 ))
4.800 2.900 1.200 peak 7805 spectrum 1 weight 0.11000E+01 volume 0.37882E-03 ppm1 2.500 ppm2 4.024 CV 1
ASSI { 7807}
(( segid "ocre" and resid 26 and name HB1 ))
( segid "ocre" and resid 15 and name HD% )
4.500 2.600 1.500 peak 7807 spectrum 1 weight 0.11000E+01 volume 0.42030E-03 ppm1 2.489 ppm2 6.838 CV 1
ASSI { 7809}
(( segid "ocre" and resid 35 and name HD1 ))
(( segid "ocre" and resid 34 and name HB1 ))
4.600 2.600 1.400 peak 7809 spectrum 1 weight 0.11000E+01 volume 0.42815E-03 ppm1 4.315 ppm2 2.799 CV 1
ASSI { 7811}
(( segid "ocre" and resid 34 and name HB2 ))
(( segid "ocre" and resid 35 and name HD2 ))
4.700 2.800 1.300 peak 7811 spectrum 1 weight 0.11000E+01 volume 0.27991E-03 ppm1 2.025 ppm2 4.076 CV 1
ASSI { 7812}
(( segid "ocre" and resid 34 and name HB2 ))
(( segid "ocre" and resid 35 and name HD1 ))
4.800 2.900 1.200 peak 7812 spectrum 1 weight 0.11000E+01 volume 0.41116E-03 ppm1 2.027 ppm2 4.314 CV 1
ASSI { 7813}
(( segid "ocre" and resid 34 and name HA ))
( segid "ocre" and resid 23 and name HE% )
4.000 4.000 2.000 peak 7813 spectrum 1 weight 0.11000E+01 volume 0.36115E-03 ppm1 4.952 ppm2 6.562 CV 1
ASSI { 7815}
(( segid "ocre" and resid 52 and name HB1 ))
(( segid "ocre" and resid 55 and name HB1 ))
4.000 2.000 2.000 peak 7815 spectrum 1 weight 0.11000E+01 volume 0.10049E-02 ppm1 2.529 ppm2 1.649 CV 1
ASSI { 7820}
(( segid "ocre" and resid 52 and name HB1 ))
( segid "ocre" and resid 50 and name HE% )
3.800 3.800 2.200 peak 7820 spectrum 1 weight 0.11000E+01 volume 0.81054E-03 ppm1 2.522 ppm2 6.771 CV 1
ASSI { 7821}
(( segid "ocre" and resid 52 and name HA ))
( segid "ocre" and resid 50 and name HD% )
3.500 3.500 2.500 peak 7821 spectrum 1 weight 0.11000E+01 volume 0.87402E-03 ppm1 4.569 ppm2 6.981 CV 1
ASSI { 7824}
(( segid "ocre" and resid 57 and name HB ))
(( segid "ocre" and resid 55 and name HB2 ))
5.000 3.100 1.000 peak 7824 spectrum 1 weight 0.11000E+01 volume 0.26457E-03 ppm1 3.852 ppm2 1.089 CV 1
ASSI { 7825}
(( segid "ocre" and resid 45 and name HB ))
(( segid "ocre" and resid 47 and name HB2 ))
3.800 1.800 1.800 peak 7825 spectrum 1 weight 0.11000E+01 volume 0.92797E-03 ppm1 4.190 ppm2 1.623 CV 1
ASSI { 7829}
( segid "ocre" and resid 29 and name HG2%)
( segid "ocre" and resid 7 and name HE% )
3.400 3.400 2.600 peak 7829 spectrum 1 weight 0.11000E+01 volume 0.98189E-03 ppm1 1.025 ppm2 6.816 CV 1
ASSI { 7830}
( segid "ocre" and resid 29 and name HG2%)
( segid "ocre" and resid 7 and name HD% )
3.200 3.200 2.800 peak 7830 spectrum 1 weight 0.11000E+01 volume 0.12724E-02 ppm1 1.026 ppm2 7.239 CV 1
ASSI { 7833}
(( segid "ocre" and resid 14 and name HB ))
( segid "ocre" and resid 15 and name HD% )
4.700 4.700 1.300 peak 7833 spectrum 1 weight 0.11000E+01 volume 0.20123E-03 ppm1 4.447 ppm2 6.816 CV 1
ASSI { 7834}
(( segid "ocre" and resid 12 and name HB ))
( segid "ocre" and resid 15 and name HE% )
4.700 4.700 1.300 peak 7834 spectrum 1 weight 0.11000E+01 volume 0.35298E-03 ppm1 3.612 ppm2 6.228 CV 1
ASSI { 7836}
(( segid "ocre" and resid 12 and name HB ))
( segid "ocre" and resid 15 and name HD% )
5.000 5.000 1.000 peak 7836 spectrum 1 weight 0.11000E+01 volume 0.35668E-03 ppm1 3.611 ppm2 6.810 CV 1
ASSI { 7838}
( segid "ocre" and resid 12 and name HG2%)
( segid "ocre" and resid 15 and name HE% )
3.000 3.000 3.000 peak 7838 spectrum 1 weight 0.11000E+01 volume 0.24825E-02 ppm1 0.587 ppm2 6.229 CV 1
ASSI { 7843}
(( segid "ocre" and resid 10 and name HB2 ))
( segid "ocre" and resid 15 and name HE% )
4.200 2.200 1.800 peak 7843 spectrum 1 weight 0.11000E+01 volume 0.21437E-03 ppm1 1.303 ppm2 6.230 CV 1
ASSI { 7847}
(( segid "ocre" and resid 10 and name HB1 ))
( segid "ocre" and resid 40 and name HE% )
4.400 2.400 1.600 peak 7847 spectrum 1 weight 0.11000E+01 volume 0.23380E-03 ppm1 1.801 ppm2 6.878 CV 1
ASSI { 7848}
(( segid "ocre" and resid 10 and name HG2 ))
( segid "ocre" and resid 58 and name HE% )
4.900 3.000 1.100 peak 7848 spectrum 1 weight 0.11000E+01 volume 0.17871E-03 ppm1 1.016 ppm2 5.801 CV 1
ASSI { 7850}
(( segid "ocre" and resid 10 and name HD1 ))
( segid "ocre" and resid 40 and name HE% )
5.600 5.600 0.400 peak 7850 spectrum 1 weight 0.11000E+01 volume 0.76701E-04 ppm1 2.460 ppm2 6.908 CV 1
ASSI { 7851}
(( segid "ocre" and resid 10 and name HD1 ))
(( segid "ocre" and resid 51 and name HZ2 ))
4.900 3.000 1.100 peak 7851 spectrum 1 weight 0.11000E+01 volume 0.11829E-03 ppm1 2.463 ppm2 7.122 CV 1
ASSI { 7852}
(( segid "ocre" and resid 60 and name HB2 ))
(( segid "ocre" and resid 49 and name HA ))
5.400 3.600 0.600 peak 7852 spectrum 1 weight 0.11000E+01 volume 0.29628E-03 ppm1 1.935 ppm2 5.476 CV 1
ASSI { 7857}
(( segid "ocre" and resid 35 and name HB1 ))
( segid "ocre" and resid 33 and name HD% )
4.600 2.700 1.400 peak 7857 spectrum 1 weight 0.11000E+01 volume 0.27788E-03 ppm1 2.284 ppm2 5.953 CV 1
ASSI { 7858}
(( segid "ocre" and resid 27 and name HB2 ))
( segid "ocre" and resid 25 and name HE% )
4.300 4.300 1.700 peak 7858 spectrum 1 weight 0.11000E+01 volume 0.80170E-03 ppm1 2.008 ppm2 6.360 CV 1
ASSI { 7859}
(( segid "ocre" and resid 27 and name HD1 ))
( segid "ocre" and resid 25 and name HE% )
3.800 3.800 2.200 peak 7859 spectrum 1 weight 0.11000E+01 volume 0.53539E-03 ppm1 4.035 ppm2 6.374 CV 1
ASSI { 7861}
( segid "ocre" and resid 31 and name HD1%)
( segid "ocre" and resid 58 and name HE% )
5.000 5.000 1.000 peak 7861 spectrum 1 weight 0.11000E+01 volume 0.10852E-03 ppm1 0.578 ppm2 5.799 CV 1
ASSI { 7863}
( segid "ocre" and resid 31 and name HD1%)
( segid "ocre" and resid 58 and name HD% )
4.900 4.900 1.100 peak 7863 spectrum 1 weight 0.11000E+01 volume 0.10307E-03 ppm1 0.580 ppm2 6.420 CV 1
ASSI { 7864}
( segid "ocre" and resid 31 and name HD1%)
( segid "ocre" and resid 40 and name HE% )
5.100 5.100 0.900 peak 7864 spectrum 1 weight 0.11000E+01 volume 0.16684E-03 ppm1 0.580 ppm2 6.862 CV 1
ASSI { 7866}
(( segid "ocre" and resid 31 and name HB1 ))
( segid "ocre" and resid 40 and name HE% )
4.500 2.500 1.500 peak 7866 spectrum 1 weight 0.11000E+01 volume 0.18928E-03 ppm1 1.681 ppm2 6.873 CV 1
ASSI { 7867}
(( segid "ocre" and resid 49 and name HB2 ))
( segid "ocre" and resid 31 and name HD2%)
4.000 4.000 2.000 peak 7867 spectrum 1 weight 0.11000E+01 volume 0.31558E-03 ppm1 1.469 ppm2 -0.084 CV 1
ASSI { 7868}
(( segid "ocre" and resid 49 and name HG ))
( segid "ocre" and resid 31 and name HD2%)
4.700 4.700 1.300 peak 7868 spectrum 1 weight 0.11000E+01 volume 0.20367E-03 ppm1 1.462 ppm2 -0.080 CV 1
ASSI { 7869}
( segid "ocre" and resid 49 and name HD1%)
( segid "ocre" and resid 31 and name HD2%)
3.900 3.900 2.100 peak 7869 spectrum 1 weight 0.11000E+01 volume 0.40776E-03 ppm1 0.639 ppm2 -0.080 CV 1
ASSI { 7871}
( segid "ocre" and resid 49 and name HD2%)
( segid "ocre" and resid 58 and name HD% )
4.300 2.400 1.700 peak 7871 spectrum 1 weight 0.11000E+01 volume 0.47316E-03 ppm1 0.679 ppm2 6.418 CV 1
ASSI { 7876}
(( segid "ocre" and resid 16 and name HB1 ))
( segid "ocre" and resid 25 and name HE% )
4.800 4.800 1.200 peak 7876 spectrum 1 weight 0.11000E+01 volume 0.18721E-03 ppm1 2.223 ppm2 6.373 CV 1
ASSI { 7877}
(( segid "ocre" and resid 16 and name HG1 ))
(( segid "ocre" and resid 27 and name HD1 ))
3.400 3.400 2.600 peak 7877 spectrum 1 weight 0.11000E+01 volume 0.97916E-03 ppm1 2.555 ppm2 4.013 CV 1
ASSI { 7880}
(( segid "ocre" and resid 27 and name HD1 ))
(( segid "ocre" and resid 16 and name HB1 ))
3.800 1.800 1.800 peak 7880 spectrum 1 weight 0.11000E+01 volume 0.60798E-03 ppm1 4.019 ppm2 2.238 CV 1
ASSI { 7882}
(( segid "ocre" and resid 16 and name HB2 ))
( segid "ocre" and resid 24 and name HD% )
5.100 5.100 0.900 peak 7882 spectrum 1 weight 0.11000E+01 volume 0.12460E-03 ppm1 2.224 ppm2 7.248 CV 1
ASSI { 7884}
(( segid "ocre" and resid 38 and name HG2 ))
(( segid "ocre" and resid 35 and name HA ))
3.600 1.700 1.700 peak 7884 spectrum 1 weight 0.11000E+01 volume 0.57682E-03 ppm1 2.100 ppm2 3.942 CV 1
ASSI { 7885}
(( segid "ocre" and resid 47 and name HB2 ))
( segid "ocre" and resid 49 and name HD1%)
3.000 3.000 3.000 peak 7885 spectrum 1 weight 0.11000E+01 volume 0.15093E-02 ppm1 1.630 ppm2 0.645 CV 1
ASSI { 7886}
(( segid "ocre" and resid 47 and name HB1 ))
( segid "ocre" and resid 49 and name HD1%)
3.200 1.300 1.300 peak 7886 spectrum 1 weight 0.11000E+01 volume 0.18749E-02 ppm1 1.905 ppm2 0.639 CV 1
ASSI { 7890}
(( segid "ocre" and resid 55 and name HG2 ))
( segid "ocre" and resid 57 and name HG2%)
4.500 2.500 1.500 peak 7890 spectrum 1 weight 0.11000E+01 volume 0.79234E-03 ppm1 1.371 ppm2 0.747 CV 1
ASSI { 7891}
( segid "ocre" and resid 57 and name HG2%)
(( segid "ocre" and resid 55 and name HG1 ))
3.700 1.700 1.700 peak 7891 spectrum 1 weight 0.11000E+01 volume 0.14684E-02 ppm1 0.747 ppm2 1.489 CV 1
ASSI { 7892}
(( segid "ocre" and resid 55 and name HD1 ))
( segid "ocre" and resid 57 and name HG2%)
4.500 2.500 1.500 peak 7892 spectrum 1 weight 0.11000E+01 volume 0.63314E-03 ppm1 1.311 ppm2 0.746 CV 1
ASSI { 7893}
(( segid "ocre" and resid 55 and name HD2 ))
( segid "ocre" and resid 57 and name HG2%)
4.000 2.000 2.000 peak 7893 spectrum 1 weight 0.11000E+01 volume 0.78509E-03 ppm1 1.203 ppm2 0.745 CV 1
ASSI { 7897}
(( segid "ocre" and resid 50 and name HB2 ))
( segid "ocre" and resid 50 and name HD% )
2.800 1.000 1.000 peak 7897 spectrum 1 weight 0.11000E+01 volume 0.28969E-02 ppm1 3.060 ppm2 6.989 CV 1
ASSI { 7899}
(( segid "ocre" and resid 50 and name HB1 ))
( segid "ocre" and resid 40 and name HD% )
4.000 4.000 2.000 peak 7899 spectrum 1 weight 0.11000E+01 volume 0.10907E-02 ppm1 3.293 ppm2 7.218 CV 1
ASSI { 7900}
(( segid "ocre" and resid 32 and name HB2 ))
( segid "ocre" and resid 40 and name HD% )
3.300 3.300 2.700 peak 7900 spectrum 1 weight 0.11000E+01 volume 0.13220E-02 ppm1 3.060 ppm2 7.223 CV 1
ASSI { 7907}
(( segid "ocre" and resid 48 and name HB1 ))
(( segid "ocre" and resid 49 and name HG ))
4.200 4.200 1.800 peak 7907 spectrum 1 weight 0.11000E+01 volume 0.36142E-03 ppm1 2.745 ppm2 1.462 CV 1
ASSI { 7909}
(( segid "ocre" and resid 41 and name HA ))
( segid "ocre" and resid 41 and name HE% )
4.200 2.200 1.800 peak 7909 spectrum 1 weight 0.11000E+01 volume 0.48505E-03 ppm1 5.053 ppm2 6.132 CV 1
ASSI { 7910}
(( segid "ocre" and resid 41 and name HA ))
( segid "ocre" and resid 48 and name HE% )
4.900 4.900 1.100 peak 7910 spectrum 1 weight 0.11000E+01 volume 0.28762E-03 ppm1 5.061 ppm2 6.637 CV 1
ASSI { 7921}
(( segid "ocre" and resid 33 and name HB2 ))
( segid "ocre" and resid 40 and name HD% )
3.100 3.100 2.900 peak 7921 spectrum 1 weight 0.11000E+01 volume 0.10360E-02 ppm1 2.450 ppm2 7.243 CV 1
ASSI { 7922}
(( segid "ocre" and resid 33 and name HA ))
( segid "ocre" and resid 40 and name HE% )
4.400 2.400 1.600 peak 7922 spectrum 1 weight 0.11000E+01 volume 0.43338E-03 ppm1 4.879 ppm2 6.868 CV 1
ASSI { 7923}
(( segid "ocre" and resid 40 and name HA ))
( segid "ocre" and resid 33 and name HE% )
5.000 5.000 1.000 peak 7923 spectrum 1 weight 0.11000E+01 volume 0.17206E-03 ppm1 5.671 ppm2 6.364 CV 1
ASSI { 7924}
(( segid "ocre" and resid 32 and name HB1 ))
(( segid "ocre" and resid 23 and name HB1 ))
3.300 3.300 2.700 peak 7924 spectrum 1 weight 0.11000E+01 volume 0.21630E-02 ppm1 3.094 ppm2 3.454 CV 1
ASSI { 7926}
(( segid "ocre" and resid 32 and name HA ))
( segid "ocre" and resid 25 and name HD% )
3.300 3.300 2.700 peak 7926 spectrum 1 weight 0.11000E+01 volume 0.85265E-03 ppm1 5.502 ppm2 6.051 CV 1
ASSI { 7927}
(( segid "ocre" and resid 27 and name HB2 ))
( segid "ocre" and resid 25 and name HD% )
5.000 5.000 1.000 peak 7927 spectrum 1 weight 0.11000E+01 volume 0.24473E-03 ppm1 2.009 ppm2 6.051 CV 1
ASSI { 7928}
(( segid "ocre" and resid 25 and name HA ))
( segid "ocre" and resid 32 and name HD% )
3.000 3.000 3.000 peak 7928 spectrum 1 weight 0.11000E+01 volume 0.21354E-02 ppm1 4.637 ppm2 7.263 CV 1
ASSI { 7929}
( segid "ocre" and resid 12 and name HG2%)
( segid "ocre" and resid 24 and name HE% )
3.500 1.500 1.500 peak 7929 spectrum 1 weight 0.11000E+01 volume 0.90625E-03 ppm1 0.585 ppm2 6.989 CV 1
ASSI { 7930}
(( segid "ocre" and resid 23 and name HA ))
( segid "ocre" and resid 23 and name HE% )
4.000 4.000 2.000 peak 7930 spectrum 1 weight 0.11000E+01 volume 0.65341E-03 ppm1 5.150 ppm2 6.540 CV 1
ASSI { 7933}
(( segid "ocre" and resid 17 and name HA ))
(( segid "ocre" and resid 24 and name HB2 ))
4.500 2.500 1.500 peak 7933 spectrum 1 weight 0.11000E+01 volume 0.45833E-03 ppm1 3.942 ppm2 3.161 CV 1
ASSI { 7938}
(( segid "ocre" and resid 17 and name HB1 ))
(( segid "ocre" and resid 24 and name HA ))
4.600 2.600 1.400 peak 7938 spectrum 1 weight 0.11000E+01 volume 0.40643E-03 ppm1 2.789 ppm2 5.262 CV 1
ASSI { 7942}
(( segid "ocre" and resid 26 and name HB2 ))
(( segid "ocre" and resid 15 and name HB1 ))
5.700 4.100 0.300 peak 7942 spectrum 1 weight 0.11000E+01 volume 0.41237E-04 ppm1 1.085 ppm2 3.220 CV 1
ASSI { 7943}
(( segid "ocre" and resid 7 and name HB1 ))
( segid "ocre" and resid 7 and name HE% )
4.800 4.800 1.200 peak 7943 spectrum 1 weight 0.11000E+01 volume 0.31353E-03 ppm1 3.230 ppm2 6.813 CV 1
ASSI { 7945}
(( segid "ocre" and resid 7 and name HA ))
( segid "ocre" and resid 7 and name HE% )
4.300 4.300 1.700 peak 7945 spectrum 1 weight 0.11000E+01 volume 0.49725E-03 ppm1 4.620 ppm2 6.813 CV 1
ASSI { 7946}
(( segid "ocre" and resid 7 and name HB2 ))
(( segid "ocre" and resid 57 and name HA ))
3.900 3.900 2.100 peak 7946 spectrum 1 weight 0.11000E+01 volume 0.37151E-03 ppm1 2.857 ppm2 4.196 CV 1
ASSI { 7949}
( segid "ocre" and resid 8 and name HB% )
(( segid "ocre" and resid 7 and name HB1 ))
4.800 2.800 1.200 peak 7949 spectrum 1 weight 0.11000E+01 volume 0.18306E-03 ppm1 1.297 ppm2 3.219 CV 1
ASSI { 7950}
(( segid "ocre" and resid 8 and name HA ))
(( segid "ocre" and resid 7 and name HB1 ))
4.600 2.600 1.400 peak 7950 spectrum 1 weight 0.11000E+01 volume 0.17121E-03 ppm1 4.315 ppm2 3.239 CV 1
ASSI { 7952}
(( segid "ocre" and resid 8 and name HA ))
( segid "ocre" and resid 9 and name HG1%)
3.900 3.900 2.100 peak 7952 spectrum 1 weight 0.11000E+01 volume 0.80418E-03 ppm1 4.315 ppm2 0.973 CV 1
ASSI { 7953}
(( segid "ocre" and resid 8 and name HA ))
( segid "ocre" and resid 9 and name HG2%)
4.400 4.400 1.600 peak 7953 spectrum 1 weight 0.11000E+01 volume 0.38512E-03 ppm1 4.315 ppm2 0.876 CV 1
ASSI { 7957}
(( segid "ocre" and resid 57 and name HA ))
( segid "ocre" and resid 7 and name HE% )
4.100 4.100 1.900 peak 7957 spectrum 1 weight 0.11000E+01 volume 0.43723E-03 ppm1 4.196 ppm2 6.811 CV 1
ASSI { 7959}
(( segid "ocre" and resid 7 and name HB1 ))
( segid "ocre" and resid 7 and name HD% )
2.800 2.800 3.200 peak 7959 spectrum 1 weight 0.11000E+01 volume 0.27082E-02 ppm1 3.231 ppm2 7.236 CV 1
ASSI { 7960}
(( segid "ocre" and resid 7 and name HB2 ))
( segid "ocre" and resid 7 and name HD% )
2.600 2.600 3.400 peak 7960 spectrum 1 weight 0.11000E+01 volume 0.41637E-02 ppm1 2.824 ppm2 7.234 CV 1
ASSI { 7961}
( segid "ocre" and resid 8 and name HB% )
(( segid "ocre" and resid 51 and name HD1 ))
4.700 4.700 1.300 peak 7961 spectrum 1 weight 0.11000E+01 volume 0.25806E-03 ppm1 1.332 ppm2 6.931 CV 1
ASSI { 7962}
(( segid "ocre" and resid 57 and name HA ))
(( segid "ocre" and resid 51 and name HH2 ))
3.800 1.800 1.800 peak 7962 spectrum 1 weight 0.11000E+01 volume 0.58898E-03 ppm1 4.195 ppm2 6.691 CV 1
ASSI { 7963}
(( segid "ocre" and resid 57 and name HA ))
(( segid "ocre" and resid 51 and name HZ3 ))
3.000 1.100 1.100 peak 7963 spectrum 1 weight 0.11000E+01 volume 0.16208E-02 ppm1 4.192 ppm2 6.128 CV 1
ASSI { 7964}
(( segid "ocre" and resid 57 and name HA ))
(( segid "ocre" and resid 51 and name HE3 ))
5.000 3.100 1.000 peak 7964 spectrum 1 weight 0.11000E+01 volume 0.21140E-03 ppm1 4.193 ppm2 5.361 CV 1
ASSI { 7965}
( segid "ocre" and resid 9 and name HG1%)
(( segid "ocre" and resid 51 and name HH2 ))
4.400 4.400 1.600 peak 7965 spectrum 1 weight 0.11000E+01 volume 0.31389E-03 ppm1 0.950 ppm2 6.686 CV 1
ASSI { 7966}
(( segid "ocre" and resid 51 and name HB2 ))
(( segid "ocre" and resid 10 and name HG1 ))
4.000 2.000 2.000 peak 7966 spectrum 1 weight 0.11000E+01 volume 0.25114E-03 ppm1 2.849 ppm2 1.134 CV 1
ASSI { 7970}
(( segid "ocre" and resid 10 and name HG2 ))
(( segid "ocre" and resid 51 and name HB1 ))
5.100 3.300 0.900 peak 7970 spectrum 1 weight 0.11000E+01 volume 0.12696E-03 ppm1 1.026 ppm2 3.219 CV 1
ASSI { 7972}
(( segid "ocre" and resid 51 and name HB2 ))
(( segid "ocre" and resid 51 and name HZ3 ))
5.700 4.100 0.300 peak 7972 spectrum 1 weight 0.11000E+01 volume 0.92240E-04 ppm1 2.857 ppm2 6.130 CV 1
ASSI { 7973}
(( segid "ocre" and resid 51 and name HB1 ))
(( segid "ocre" and resid 51 and name HZ3 ))
6.000 6.000 0.000 peak 7973 spectrum 1 weight 0.11000E+01 volume 0.63032E-04 ppm1 3.196 ppm2 6.149 CV 1
ASSI { 7976}
(( segid "ocre" and resid 57 and name HB ))
( segid "ocre" and resid 7 and name HE% )
4.800 4.800 1.200 peak 7976 spectrum 1 weight 0.11000E+01 volume 0.15713E-03 ppm1 3.874 ppm2 6.813 CV 1
ASSI { 7977}
(( segid "ocre" and resid 57 and name HB ))
( segid "ocre" and resid 7 and name HD% )
3.900 3.900 2.100 peak 7977 spectrum 1 weight 0.11000E+01 volume 0.44466E-03 ppm1 3.874 ppm2 7.243 CV 1
ASSI { 7978}
(( segid "ocre" and resid 21 and name HB1 ))
(( segid "sm_n" and resid 108 and name HG12))
5.500 3.800 0.500 peak 7978 spectrum 1 weight 0.11000E+01 volume 0.15220E-03 ppm1 3.501 ppm2 1.130 CV 1
ASSI { 7979}
(( segid "ocre" and resid 21 and name HA ))
(( segid "sm_n" and resid 108 and name HG21))
5.300 3.600 0.700 peak 7979 spectrum 1 weight 0.11000E+01 volume 0.15077E-03 ppm1 4.313 ppm2 0.835 CV 1
ASSI { 7980}
(( segid "ocre" and resid 21 and name HA ))
(( segid "sm_n" and resid 108 and name HD11))
5.800 4.300 0.200 peak 7980 spectrum 1 weight 0.11000E+01 volume 0.12169E-03 ppm1 4.312 ppm2 0.768 CV 1
ASSI { 7981}
(( segid "ocre" and resid 21 and name HB1 ))
(( segid "sm_n" and resid 108 and name HB ))
4.800 2.900 1.200 peak 7981 spectrum 1 weight 0.11000E+01 volume 0.33262E-03 ppm1 3.499 ppm2 1.792 CV 1
ASSI { 7982}
(( segid "ocre" and resid 21 and name HA ))
(( segid "sm_n" and resid 107 and name HA1 ))
3.700 3.700 2.300 peak 7982 spectrum 1 weight 0.11000E+01 volume 0.12767E-02 ppm1 4.313 ppm2 3.865 CV 1
ASSI { 7983}
(( segid "ocre" and resid 21 and name HA ))
(( segid "sm_n" and resid 108 and name HA ))
3.300 1.300 1.300 peak 7983 spectrum 1 weight 0.11000E+01 volume 0.12514E-02 ppm1 4.314 ppm2 4.128 CV 1
ASSI { 7984}
(( segid "ocre" and resid 21 and name HB1 ))
(( segid "sm_n" and resid 108 and name HA ))
4.300 2.300 1.700 peak 7984 spectrum 1 weight 0.11000E+01 volume 0.42966E-03 ppm1 3.503 ppm2 4.128 CV 1
ASSI { 7986}
(( segid "ocre" and resid 36 and name HB2 ))
(( segid "ocre" and resid 37 and name HB2 ))
4.300 2.400 1.700 peak 7986 spectrum 1 weight 0.11000E+01 volume 0.29637E-03 ppm1 2.804 ppm2 3.666 CV 1
ASSI { 7990}
(( segid "ocre" and resid 43 and name HA ))
(( segid "sm_n" and resid 102 and name HG1 ))
5.300 3.500 0.700 peak 7990 spectrum 1 weight 0.11000E+01 volume 0.23805E-03 ppm1 3.802 ppm2 1.621 CV 1
ASSI { 7992}
(( segid "ocre" and resid 43 and name HB2 ))
(( segid "sm_n" and resid 102 and name HG1 ))
4.600 4.600 1.400 peak 7992 spectrum 1 weight 0.11000E+01 volume 0.20284E-03 ppm1 3.855 ppm2 1.621 CV 1
ASSI { 7996}
(( segid "ocre" and resid 43 and name HB1 ))
(( segid "sm_n" and resid 103 and name HG1 ))
5.000 3.200 1.000 peak 7996 spectrum 1 weight 0.11000E+01 volume 0.27093E-03 ppm1 4.079 ppm2 1.976 CV 1
ASSI { 7997}
(( segid "ocre" and resid 43 and name HB2 ))
(( segid "sm_n" and resid 102 and name HD1 ))
4.200 2.200 1.800 peak 7997 spectrum 1 weight 0.11000E+01 volume 0.11930E-03 ppm1 3.820 ppm2 3.091 CV 1
ASSI { 7998}
(( segid "ocre" and resid 46 and name HG1 ))
( segid "ocre" and resid 41 and name HD% )
5.900 5.900 0.100 peak 7998 spectrum 1 weight 0.11000E+01 volume 0.73147E-04 ppm1 2.187 ppm2 5.828 CV 1
ASSI { 7999}
(( segid "ocre" and resid 32 and name HB1 ))
( segid "ocre" and resid 41 and name HE% )
4.900 4.900 1.100 peak 7999 spectrum 1 weight 0.11000E+01 volume 0.13411E-03 ppm1 3.109 ppm2 6.134 CV 1
ASSI { 8001}
(( segid "ocre" and resid 48 and name HA ))
(( segid "sm_n" and resid 103 and name HB1 ))
5.400 3.700 0.600 peak 8001 spectrum 1 weight 0.11000E+01 volume 0.16447E-03 ppm1 5.578 ppm2 2.261 CV 1
ASSI { 8004}
(( segid "ocre" and resid 37 and name HA ))
(( segid "sm_n" and resid 106 and name HB2 ))
5.200 5.200 0.800 peak 8004 spectrum 1 weight 0.11000E+01 volume 0.18758E-03 ppm1 4.190 ppm2 1.826 CV 1
ASSI { 8006}
(( segid "ocre" and resid 36 and name HB2 ))
(( segid "sm_n" and resid 109 and name HD1 ))
3.700 3.700 2.300 peak 8006 spectrum 1 weight 0.11000E+01 volume 0.57951E-03 ppm1 2.799 ppm2 3.143 CV 1
ASSI { 8007}
(( segid "ocre" and resid 36 and name HB1 ))
(( segid "sm_n" and resid 109 and name HD1 ))
3.000 3.000 3.000 peak 8007 spectrum 1 weight 0.11000E+01 volume 0.18901E-02 ppm1 3.001 ppm2 3.139 CV 1
ASSI { 22}
(( segid "ocre" and resid 34 and name HN ))
(( segid "ocre" and resid 39 and name HN ))
3.600 3.600 2.400 peak 22 spectrum 2 weight 0.11000E+01 volume 0.63032E-03 ppm1 8.105 ppm2 7.655 CV 1
ASSI { 30}
(( segid "ocre" and resid 34 and name HN ))
(( segid "ocre" and resid 40 and name HA ))
3.900 3.900 2.100 peak 30 spectrum 2 weight 0.11000E+01 volume 0.68605E-03 ppm1 8.104 ppm2 5.639 CV 1
ASSI { 34}
(( segid "ocre" and resid 34 and name HN ))
(( segid "ocre" and resid 33 and name HA ))
2.400 2.400 3.600 peak 34 spectrum 2 weight 0.11000E+01 volume 0.48804E-02 ppm1 8.104 ppm2 4.866 CV 1
ASSI { 43}
(( segid "ocre" and resid 34 and name HN ))
(( segid "ocre" and resid 34 and name HB1 ))
2.700 2.700 3.300 peak 43 spectrum 2 weight 0.11000E+01 volume 0.23342E-02 ppm1 8.104 ppm2 2.837 CV 1
ASSI { 49}
(( segid "ocre" and resid 34 and name HN ))
(( segid "ocre" and resid 34 and name HB2 ))
3.200 3.200 2.800 peak 49 spectrum 2 weight 0.11000E+01 volume 0.15984E-02 ppm1 8.104 ppm2 2.059 CV 1
ASSI { 57}
(( segid "ocre" and resid 26 and name HN ))
(( segid "ocre" and resid 25 and name HN ))
3.900 1.900 1.900 peak 57 spectrum 2 weight 0.11000E+01 volume 0.60109E-03 ppm1 7.944 ppm2 9.735 CV 1
ASSI { 77}
(( segid "ocre" and resid 17 and name HN ))
(( segid "ocre" and resid 16 and name HA ))
2.100 0.600 0.600 peak 77 spectrum 2 weight 0.11000E+01 volume 0.12780E-01 ppm1 9.491 ppm2 4.898 CV 1
ASSI { 81}
(( segid "ocre" and resid 26 and name HN ))
(( segid "ocre" and resid 26 and name HA ))
2.300 0.700 0.700 peak 81 spectrum 2 weight 0.11000E+01 volume 0.54888E-02 ppm1 7.945 ppm2 4.639 CV 1
ASSI { 83}
(( segid "ocre" and resid 17 and name HN ))
(( segid "ocre" and resid 17 and name HA ))
3.300 1.400 1.400 peak 83 spectrum 2 weight 0.11000E+01 volume 0.95638E-03 ppm1 9.491 ppm2 3.956 CV 1
ASSI { 86}
(( segid "ocre" and resid 17 and name HN ))
(( segid "ocre" and resid 17 and name HB1 ))
2.700 0.900 0.900 peak 86 spectrum 2 weight 0.11000E+01 volume 0.30593E-02 ppm1 9.490 ppm2 2.797 CV 1
ASSI { 88}
(( segid "ocre" and resid 26 and name HN ))
(( segid "ocre" and resid 25 and name HB1 ))
3.100 3.100 2.900 peak 88 spectrum 2 weight 0.11000E+01 volume 0.32576E-02 ppm1 7.947 ppm2 2.742 CV 1
ASSI { 90}
(( segid "ocre" and resid 26 and name HN ))
(( segid "ocre" and resid 26 and name HB1 ))
2.700 0.900 0.900 peak 90 spectrum 2 weight 0.11000E+01 volume 0.24214E-02 ppm1 7.944 ppm2 2.516 CV 1
ASSI { 93}
(( segid "ocre" and resid 26 and name HN ))
(( segid "ocre" and resid 26 and name HB2 ))
3.000 1.100 1.100 peak 93 spectrum 2 weight 0.11000E+01 volume 0.15209E-02 ppm1 7.945 ppm2 1.100 CV 1
ASSI { 99}
(( segid "ocre" and resid 61 and name HN ))
(( segid "ocre" and resid 50 and name HN ))
3.900 1.900 1.900 peak 99 spectrum 2 weight 0.11000E+01 volume 0.69691E-03 ppm1 8.784 ppm2 9.490 CV 1
ASSI { 103}
(( segid "ocre" and resid 42 and name HN ))
(( segid "ocre" and resid 43 and name HN ))
4.200 2.200 1.800 peak 103 spectrum 2 weight 0.11000E+01 volume 0.41690E-03 ppm1 8.232 ppm2 9.088 CV 1
ASSI { 138}
(( segid "ocre" and resid 42 and name HN ))
(( segid "ocre" and resid 41 and name HA ))
2.200 0.600 0.600 peak 138 spectrum 2 weight 0.11000E+01 volume 0.55664E-02 ppm1 8.228 ppm2 5.059 CV 1
ASSI { 140}
(( segid "ocre" and resid 61 and name HN ))
(( segid "ocre" and resid 60 and name HA ))
2.200 0.600 0.600 peak 140 spectrum 2 weight 0.11000E+01 volume 0.76024E-02 ppm1 8.786 ppm2 4.687 CV 1
ASSI { 144}
(( segid "ocre" and resid 61 and name HN ))
(( segid "ocre" and resid 61 and name HA ))
3.100 3.100 2.900 peak 144 spectrum 2 weight 0.11000E+01 volume 0.15216E-02 ppm1 8.785 ppm2 4.466 CV 1
ASSI { 147}
(( segid "ocre" and resid 42 and name HN ))
(( segid "ocre" and resid 42 and name HB1 ))
2.800 2.800 3.200 peak 147 spectrum 2 weight 0.11000E+01 volume 0.20965E-02 ppm1 8.227 ppm2 3.080 CV 1
ASSI { 154}
(( segid "ocre" and resid 42 and name HN ))
(( segid "ocre" and resid 42 and name HB2 ))
3.100 1.200 1.200 peak 154 spectrum 2 weight 0.11000E+01 volume 0.15329E-02 ppm1 8.227 ppm2 2.051 CV 1
ASSI { 181}
(( segid "ocre" and resid 19 and name HN ))
(( segid "ocre" and resid 22 and name HN ))
4.300 2.300 1.700 peak 181 spectrum 2 weight 0.11000E+01 volume 0.28587E-03 ppm1 8.768 ppm2 8.370 CV 1
ASSI { 185}
(( segid "ocre" and resid 19 and name HN ))
(( segid "ocre" and resid 20 and name HN ))
2.500 0.800 0.800 peak 185 spectrum 2 weight 0.11000E+01 volume 0.43025E-02 ppm1 8.764 ppm2 8.214 CV 1
ASSI { 199}
(( segid "ocre" and resid 8 and name HN ))
(( segid "ocre" and resid 8 and name HA ))
2.900 1.100 1.100 peak 199 spectrum 2 weight 0.11000E+01 volume 0.20610E-02 ppm1 8.390 ppm2 4.332 CV 1
ASSI { 205}
(( segid "ocre" and resid 8 and name HN ))
(( segid "ocre" and resid 7 and name HB1 ))
3.100 3.100 2.900 peak 205 spectrum 2 weight 0.11000E+01 volume 0.16301E-02 ppm1 8.392 ppm2 3.260 CV 1
ASSI { 212}
(( segid "ocre" and resid 19 and name HN ))
(( segid "ocre" and resid 19 and name HB1 ))
2.600 0.800 0.800 peak 212 spectrum 2 weight 0.11000E+01 volume 0.54770E-02 ppm1 8.763 ppm2 2.025 CV 1
ASSI { 213}
(( segid "ocre" and resid 8 and name HN ))
(( segid "ocre" and resid 6 and name HG2 ))
2.000 2.000 4.000 peak 213 spectrum 2 weight 0.11000E+01 volume 0.53702E-02 ppm1 8.393 ppm2 1.538 CV 1
ASSI { 214}
(( segid "ocre" and resid 8 and name HN ))
( segid "ocre" and resid 8 and name HB% )
2.500 0.800 0.800 peak 214 spectrum 2 weight 0.11000E+01 volume 0.54980E-02 ppm1 8.389 ppm2 1.333 CV 1
ASSI { 242}
(( segid "ocre" and resid 59 and name HN ))
(( segid "ocre" and resid 58 and name HA ))
2.800 1.000 1.000 peak 242 spectrum 2 weight 0.11000E+01 volume 0.21633E-02 ppm1 9.266 ppm2 4.902 CV 1
ASSI { 247}
(( segid "ocre" and resid 59 and name HN ))
(( segid "ocre" and resid 59 and name HA ))
3.400 1.500 1.500 peak 247 spectrum 2 weight 0.11000E+01 volume 0.66009E-03 ppm1 9.265 ppm2 4.525 CV 1
ASSI { 252}
(( segid "ocre" and resid 59 and name HN ))
(( segid "ocre" and resid 58 and name HB1 ))
4.000 2.000 2.000 peak 252 spectrum 2 weight 0.11000E+01 volume 0.45993E-03 ppm1 9.266 ppm2 2.571 CV 1
ASSI { 256}
(( segid "ocre" and resid 6 and name HN ))
(( segid "ocre" and resid 6 and name HB1 ))
3.000 1.100 1.100 peak 256 spectrum 2 weight 0.11000E+01 volume 0.18301E-02 ppm1 8.358 ppm2 1.660 CV 1
ASSI { 261}
(( segid "ocre" and resid 59 and name HN ))
( segid "ocre" and resid 59 and name HG1%)
3.200 3.200 2.800 peak 261 spectrum 2 weight 0.11000E+01 volume 0.12041E-02 ppm1 9.265 ppm2 0.830 CV 1
ASSI { 263}
(( segid "ocre" and resid 59 and name HN ))
( segid "ocre" and resid 59 and name HG2%)
3.200 1.300 1.300 peak 263 spectrum 2 weight 0.11000E+01 volume 0.11095E-02 ppm1 9.265 ppm2 0.630 CV 1
ASSI { 266}
(( segid "ocre" and resid 25 and name HN ))
(( segid "ocre" and resid 16 and name HN ))
2.600 0.800 0.800 peak 266 spectrum 2 weight 0.11000E+01 volume 0.25428E-02 ppm1 9.737 ppm2 9.434 CV 1
ASSI { 274}
(( segid "ocre" and resid 62 and name HN ))
(( segid "ocre" and resid 61 and name HN ))
2.800 1.000 1.000 peak 274 spectrum 2 weight 0.11000E+01 volume 0.26723E-02 ppm1 8.560 ppm2 8.791 CV 1
ASSI { 300}
(( segid "ocre" and resid 25 and name HN ))
(( segid "ocre" and resid 24 and name HA ))
2.400 0.700 0.700 peak 300 spectrum 2 weight 0.11000E+01 volume 0.43753E-02 ppm1 9.735 ppm2 5.243 CV 1
ASSI { 307}
(( segid "ocre" and resid 62 and name HN ))
(( segid "ocre" and resid 62 and name HA ))
2.400 0.700 0.700 peak 307 spectrum 2 weight 0.11000E+01 volume 0.76749E-02 ppm1 8.559 ppm2 4.448 CV 1
ASSI { 313}
(( segid "ocre" and resid 25 and name HN ))
(( segid "ocre" and resid 25 and name HB1 ))
2.500 2.500 3.500 peak 313 spectrum 2 weight 0.11000E+01 volume 0.40255E-02 ppm1 9.736 ppm2 2.746 CV 1
ASSI { 321}
(( segid "ocre" and resid 62 and name HN ))
( segid "ocre" and resid 62 and name HB% )
2.500 0.800 0.800 peak 321 spectrum 2 weight 0.11000E+01 volume 0.63701E-02 ppm1 8.559 ppm2 1.466 CV 1
ASSI { 322}
(( segid "ocre" and resid 62 and name HN ))
( segid "ocre" and resid 61 and name HB% )
3.000 3.000 3.000 peak 322 spectrum 2 weight 0.11000E+01 volume 0.23162E-02 ppm1 8.560 ppm2 1.216 CV 1
ASSI { 344}
(( segid "ocre" and resid 44 and name HN ))
(( segid "ocre" and resid 46 and name HN ))
3.200 1.300 1.300 peak 344 spectrum 2 weight 0.11000E+01 volume 0.20078E-02 ppm1 8.302 ppm2 7.999 CV 1
ASSI { 349}
(( segid "ocre" and resid 44 and name HN ))
(( segid "ocre" and resid 45 and name HN ))
2.200 0.600 0.600 peak 349 spectrum 2 weight 0.11000E+01 volume 0.99721E-02 ppm1 8.303 ppm2 7.194 CV 1
ASSI { 363}
(( segid "ocre" and resid 25 and name HN ))
(( segid "ocre" and resid 25 and name HA ))
3.100 1.200 1.200 peak 363 spectrum 2 weight 0.11000E+01 volume 0.94637E-03 ppm1 9.735 ppm2 4.635 CV 1
ASSI { 400}
(( segid "ocre" and resid 49 and name HN ))
( segid "ocre" and resid 49 and name HD1%)
4.200 4.200 1.800 peak 400 spectrum 2 weight 0.11000E+01 volume 0.42028E-03 ppm1 9.694 ppm2 0.686 CV 1
ASSI { 410}
(( segid "ocre" and resid 33 and name HN ))
(( segid "ocre" and resid 24 and name HN ))
2.800 1.000 1.000 peak 410 spectrum 2 weight 0.11000E+01 volume 0.25526E-02 ppm1 9.850 ppm2 9.357 CV 1
ASSI { 413}
(( segid "ocre" and resid 49 and name HN ))
(( segid "ocre" and resid 48 and name HN ))
4.100 2.100 1.900 peak 413 spectrum 2 weight 0.11000E+01 volume 0.49624E-03 ppm1 9.695 ppm2 8.842 CV 1
ASSI { 415}
(( segid "ocre" and resid 41 and name HN ))
(( segid "ocre" and resid 32 and name HN ))
2.900 1.000 1.000 peak 415 spectrum 2 weight 0.11000E+01 volume 0.18885E-02 ppm1 9.619 ppm2 8.744 CV 1
ASSI { 425}
(( segid "ocre" and resid 64 and name HN ))
(( segid "ocre" and resid 63 and name HN ))
3.500 1.600 1.600 peak 425 spectrum 2 weight 0.11000E+01 volume 0.17964E-02 ppm1 8.089 ppm2 8.601 CV 1
ASSI { 458}
(( segid "ocre" and resid 49 and name HN ))
(( segid "ocre" and resid 48 and name HA ))
2.500 0.800 0.800 peak 458 spectrum 2 weight 0.11000E+01 volume 0.27751E-02 ppm1 9.696 ppm2 5.575 CV 1
ASSI { 460}
(( segid "ocre" and resid 33 and name HN ))
(( segid "ocre" and resid 32 and name HA ))
2.500 2.500 3.500 peak 460 spectrum 2 weight 0.11000E+01 volume 0.40909E-02 ppm1 9.848 ppm2 5.467 CV 1
ASSI { 464}
(( segid "ocre" and resid 41 and name HN ))
(( segid "ocre" and resid 41 and name HA ))
3.000 1.100 1.100 peak 464 spectrum 2 weight 0.11000E+01 volume 0.10083E-02 ppm1 9.618 ppm2 5.077 CV 1
ASSI { 465}
(( segid "ocre" and resid 33 and name HN ))
(( segid "ocre" and resid 33 and name HA ))
3.000 1.100 1.100 peak 465 spectrum 2 weight 0.11000E+01 volume 0.14022E-02 ppm1 9.847 ppm2 4.869 CV 1
ASSI { 471}
(( segid "ocre" and resid 7 and name HN ))
(( segid "ocre" and resid 7 and name HA ))
2.400 0.700 0.700 peak 471 spectrum 2 weight 0.11000E+01 volume 0.69788E-02 ppm1 8.450 ppm2 4.621 CV 1
ASSI { 475}
(( segid "ocre" and resid 7 and name HN ))
(( segid "ocre" and resid 6 and name HA ))
2.500 0.800 0.800 peak 475 spectrum 2 weight 0.11000E+01 volume 0.55548E-02 ppm1 8.449 ppm2 4.386 CV 1
ASSI { 479}
(( segid "ocre" and resid 64 and name HN ))
(( segid "ocre" and resid 64 and name HB1 ))
3.400 1.500 1.500 peak 479 spectrum 2 weight 0.11000E+01 volume 0.85446E-03 ppm1 8.088 ppm2 3.839 CV 1
ASSI { 488}
(( segid "ocre" and resid 7 and name HN ))
(( segid "ocre" and resid 7 and name HB1 ))
3.800 3.800 2.200 peak 488 spectrum 2 weight 0.11000E+01 volume 0.98354E-03 ppm1 8.450 ppm2 3.259 CV 1
ASSI { 494}
(( segid "ocre" and resid 41 and name HN ))
(( segid "ocre" and resid 41 and name HB1 ))
2.700 2.700 3.300 peak 494 spectrum 2 weight 0.11000E+01 volume 0.21269E-02 ppm1 9.619 ppm2 2.694 CV 1
ASSI { 495}
(( segid "ocre" and resid 7 and name HN ))
(( segid "ocre" and resid 7 and name HB2 ))
2.900 2.900 3.100 peak 495 spectrum 2 weight 0.11000E+01 volume 0.18962E-02 ppm1 8.449 ppm2 2.874 CV 1
ASSI { 496}
(( segid "ocre" and resid 33 and name HN ))
(( segid "ocre" and resid 33 and name HB2 ))
3.300 3.300 2.700 peak 496 spectrum 2 weight 0.11000E+01 volume 0.16216E-02 ppm1 9.849 ppm2 2.482 CV 1
ASSI { 497}
(( segid "ocre" and resid 41 and name HN ))
(( segid "ocre" and resid 41 and name HB2 ))
3.600 1.600 1.600 peak 497 spectrum 2 weight 0.11000E+01 volume 0.11836E-02 ppm1 9.617 ppm2 2.478 CV 1
ASSI { 562}
(( segid "ocre" and resid 58 and name HN ))
(( segid "ocre" and resid 57 and name HN ))
3.500 3.500 2.500 peak 562 spectrum 2 weight 0.11000E+01 volume 0.11941E-02 ppm1 7.580 ppm2 6.550 CV 1
ASSI { 568}
(( segid "ocre" and resid 15 and name HN ))
(( segid "ocre" and resid 15 and name HA ))
3.000 3.000 3.000 peak 568 spectrum 2 weight 0.11000E+01 volume 0.14074E-02 ppm1 7.427 ppm2 4.991 CV 1
ASSI { 577}
(( segid "ocre" and resid 11 and name HN ))
(( segid "ocre" and resid 11 and name HA ))
3.000 1.100 1.100 peak 577 spectrum 2 weight 0.11000E+01 volume 0.17033E-02 ppm1 8.246 ppm2 4.572 CV 1
ASSI { 580}
(( segid "ocre" and resid 15 and name HN ))
(( segid "ocre" and resid 26 and name HA ))
4.200 4.200 1.800 peak 580 spectrum 2 weight 0.11000E+01 volume 0.83087E-03 ppm1 7.429 ppm2 4.652 CV 1
ASSI { 581}
(( segid "ocre" and resid 58 and name HN ))
(( segid "ocre" and resid 58 and name HA ))
3.300 1.400 1.400 peak 581 spectrum 2 weight 0.11000E+01 volume 0.81501E-03 ppm1 7.582 ppm2 4.897 CV 1
ASSI { 589}
(( segid "ocre" and resid 11 and name HN ))
(( segid "ocre" and resid 10 and name HA ))
2.200 0.600 0.600 peak 589 spectrum 2 weight 0.11000E+01 volume 0.89834E-02 ppm1 8.245 ppm2 3.879 CV 1
ASSI { 596}
(( segid "ocre" and resid 15 and name HN ))
(( segid "ocre" and resid 15 and name HB1 ))
3.400 3.400 2.600 peak 596 spectrum 2 weight 0.11000E+01 volume 0.22087E-02 ppm1 7.427 ppm2 3.234 CV 1
ASSI { 609}
(( segid "ocre" and resid 58 and name HN ))
(( segid "ocre" and resid 58 and name HB1 ))
3.900 3.900 2.100 peak 609 spectrum 2 weight 0.11000E+01 volume 0.10377E-02 ppm1 7.584 ppm2 2.603 CV 1
ASSI { 613}
(( segid "ocre" and resid 63 and name HN ))
(( segid "ocre" and resid 63 and name HB2 ))
2.900 1.100 1.100 peak 613 spectrum 2 weight 0.11000E+01 volume 0.19250E-02 ppm1 8.595 ppm2 1.970 CV 1
ASSI { 616}
(( segid "ocre" and resid 11 and name HN ))
(( segid "ocre" and resid 10 and name HB1 ))
3.800 1.800 1.800 peak 616 spectrum 2 weight 0.11000E+01 volume 0.77959E-03 ppm1 8.246 ppm2 1.830 CV 1
ASSI { 626}
(( segid "ocre" and resid 58 and name HN ))
( segid "ocre" and resid 57 and name HG2%)
3.800 1.800 1.800 peak 626 spectrum 2 weight 0.11000E+01 volume 0.61207E-03 ppm1 7.585 ppm2 0.780 CV 1
ASSI { 645}
(( segid "ocre" and resid 54 and name HN ))
(( segid "ocre" and resid 53 and name HN ))
2.700 0.900 0.900 peak 645 spectrum 2 weight 0.11000E+01 volume 0.33378E-02 ppm1 8.195 ppm2 8.566 CV 1
ASSI { 646}
(( segid "ocre" and resid 9 and name HN ))
(( segid "ocre" and resid 8 and name HN ))
3.500 1.500 1.500 peak 646 spectrum 2 weight 0.11000E+01 volume 0.14425E-02 ppm1 8.045 ppm2 8.382 CV 1
ASSI { 667}
(( segid "ocre" and resid 54 and name HN ))
(( segid "ocre" and resid 56 and name HN ))
3.200 1.300 1.300 peak 667 spectrum 2 weight 0.11000E+01 volume 0.18515E-02 ppm1 8.196 ppm2 7.861 CV 1
ASSI { 668}
(( segid "ocre" and resid 54 and name HN ))
(( segid "ocre" and resid 55 and name HN ))
2.200 0.600 0.600 peak 668 spectrum 2 weight 0.11000E+01 volume 0.10081E-01 ppm1 8.194 ppm2 7.682 CV 1
ASSI { 675}
(( segid "ocre" and resid 16 and name HN ))
(( segid "ocre" and resid 24 and name HA ))
3.200 1.300 1.300 peak 675 spectrum 2 weight 0.11000E+01 volume 0.44587E-02 ppm1 9.427 ppm2 5.228 CV 1
ASSI { 677}
(( segid "ocre" and resid 16 and name HN ))
(( segid "ocre" and resid 26 and name HA ))
3.900 1.900 1.900 peak 677 spectrum 2 weight 0.11000E+01 volume 0.40649E-03 ppm1 9.427 ppm2 4.660 CV 1
ASSI { 696}
(( segid "ocre" and resid 9 and name HN ))
(( segid "ocre" and resid 9 and name HA ))
2.800 1.000 1.000 peak 696 spectrum 2 weight 0.11000E+01 volume 0.20103E-02 ppm1 8.042 ppm2 3.818 CV 1
ASSI { 704}
(( segid "ocre" and resid 16 and name HN ))
(( segid "ocre" and resid 16 and name HB1 ))
2.900 1.000 1.000 peak 704 spectrum 2 weight 0.11000E+01 volume 0.22393E-02 ppm1 9.427 ppm2 2.260 CV 1
ASSI { 705}
(( segid "ocre" and resid 54 and name HN ))
(( segid "ocre" and resid 54 and name HG1 ))
2.500 2.500 3.500 peak 705 spectrum 2 weight 0.11000E+01 volume 0.88408E-02 ppm1 8.196 ppm2 2.281 CV 1
ASSI { 706}
(( segid "ocre" and resid 54 and name HN ))
(( segid "ocre" and resid 54 and name HG2 ))
2.600 2.600 3.400 peak 706 spectrum 2 weight 0.11000E+01 volume 0.65521E-02 ppm1 8.194 ppm2 2.061 CV 1
ASSI { 708}
(( segid "ocre" and resid 9 and name HN ))
(( segid "ocre" and resid 9 and name HB ))
2.500 0.800 0.800 peak 708 spectrum 2 weight 0.11000E+01 volume 0.43214E-02 ppm1 8.043 ppm2 1.896 CV 1
ASSI { 712}
(( segid "ocre" and resid 9 and name HN ))
( segid "ocre" and resid 8 and name HB% )
2.600 0.800 0.800 peak 712 spectrum 2 weight 0.11000E+01 volume 0.34354E-02 ppm1 8.045 ppm2 1.333 CV 1
ASSI { 714}
(( segid "ocre" and resid 9 and name HN ))
( segid "ocre" and resid 9 and name HG1%)
2.600 0.900 0.900 peak 714 spectrum 2 weight 0.11000E+01 volume 0.41726E-02 ppm1 8.044 ppm2 0.988 CV 1
ASSI { 727}
(( segid "ocre" and resid 43 and name HN ))
(( segid "ocre" and resid 32 and name HN ))
4.300 2.300 1.700 peak 727 spectrum 2 weight 0.11000E+01 volume 0.34106E-03 ppm1 9.088 ppm2 8.749 CV 1
ASSI { 744}
(( segid "ocre" and resid 43 and name HN ))
(( segid "ocre" and resid 45 and name HN ))
4.100 2.100 1.900 peak 744 spectrum 2 weight 0.11000E+01 volume 0.47070E-03 ppm1 9.095 ppm2 7.197 CV 1
ASSI { 754}
(( segid "ocre" and resid 31 and name HN ))
(( segid "ocre" and resid 29 and name HN ))
3.400 1.400 1.400 peak 754 spectrum 2 weight 0.11000E+01 volume 0.13886E-02 ppm1 7.546 ppm2 6.738 CV 1
ASSI { 764}
(( segid "ocre" and resid 31 and name HN ))
(( segid "ocre" and resid 31 and name HA ))
3.000 1.100 1.100 peak 764 spectrum 2 weight 0.11000E+01 volume 0.14308E-02 ppm1 7.545 ppm2 4.545 CV 1
ASSI { 766}
(( segid "ocre" and resid 43 and name HN ))
(( segid "ocre" and resid 43 and name HB1 ))
2.600 0.800 0.800 peak 766 spectrum 2 weight 0.11000E+01 volume 0.27555E-02 ppm1 9.096 ppm2 4.065 CV 1
ASSI { 767}
(( segid "ocre" and resid 43 and name HN ))
(( segid "ocre" and resid 43 and name HA ))
2.700 0.900 0.900 peak 767 spectrum 2 weight 0.11000E+01 volume 0.23163E-02 ppm1 9.094 ppm2 3.819 CV 1
ASSI { 793}
(( segid "ocre" and resid 23 and name HN ))
(( segid "ocre" and resid 24 and name HN ))
3.900 1.900 1.900 peak 793 spectrum 2 weight 0.11000E+01 volume 0.69552E-03 ppm1 7.997 ppm2 9.353 CV 1
ASSI { 804}
(( segid "ocre" and resid 23 and name HN ))
(( segid "ocre" and resid 22 and name HN ))
2.300 0.600 0.600 peak 804 spectrum 2 weight 0.11000E+01 volume 0.75165E-02 ppm1 7.995 ppm2 8.371 CV 1
ASSI { 821}
(( segid "ocre" and resid 40 and name HN ))
(( segid "ocre" and resid 40 and name HA ))
2.700 2.700 3.300 peak 821 spectrum 2 weight 0.11000E+01 volume 0.29089E-02 ppm1 9.790 ppm2 5.612 CV 1
ASSI { 824}
(( segid "ocre" and resid 23 and name HN ))
(( segid "ocre" and resid 23 and name HA ))
3.000 3.000 3.000 peak 824 spectrum 2 weight 0.11000E+01 volume 0.16632E-02 ppm1 7.996 ppm2 5.190 CV 1
ASSI { 839}
(( segid "ocre" and resid 13 and name HN ))
(( segid "ocre" and resid 13 and name HB1 ))
2.700 0.900 0.900 peak 839 spectrum 2 weight 0.11000E+01 volume 0.39027E-02 ppm1 8.329 ppm2 3.874 CV 1
ASSI { 847}
(( segid "ocre" and resid 23 and name HN ))
(( segid "ocre" and resid 23 and name HB1 ))
3.500 1.500 1.500 peak 847 spectrum 2 weight 0.11000E+01 volume 0.16990E-02 ppm1 7.995 ppm2 3.489 CV 1
ASSI { 851}
(( segid "ocre" and resid 23 and name HN ))
(( segid "ocre" and resid 23 and name HB2 ))
2.600 0.900 0.900 peak 851 spectrum 2 weight 0.11000E+01 volume 0.27686E-02 ppm1 7.994 ppm2 3.115 CV 1
ASSI { 852}
(( segid "ocre" and resid 40 and name HN ))
(( segid "ocre" and resid 40 and name HB1 ))
4.100 2.100 1.900 peak 852 spectrum 2 weight 0.11000E+01 volume 0.77210E-03 ppm1 9.794 ppm2 2.897 CV 1
ASSI { 856}
(( segid "ocre" and resid 13 and name HN ))
(( segid "ocre" and resid 12 and name HA ))
3.400 1.400 1.400 peak 856 spectrum 2 weight 0.11000E+01 volume 0.79211E-03 ppm1 8.332 ppm2 2.468 CV 1
ASSI { 862}
(( segid "ocre" and resid 13 and name HN ))
( segid "ocre" and resid 14 and name HG2%)
4.100 2.100 1.900 peak 862 spectrum 2 weight 0.11000E+01 volume 0.48937E-03 ppm1 8.327 ppm2 1.143 CV 1
ASSI { 870}
(( segid "ocre" and resid 50 and name HN ))
(( segid "ocre" and resid 59 and name HN ))
2.800 1.000 1.000 peak 870 spectrum 2 weight 0.11000E+01 volume 0.22590E-02 ppm1 9.483 ppm2 9.269 CV 1
ASSI { 888}
(( segid "ocre" and resid 55 and name HN ))
(( segid "ocre" and resid 56 and name HN ))
2.600 0.800 0.800 peak 888 spectrum 2 weight 0.11000E+01 volume 0.35902E-02 ppm1 7.684 ppm2 7.860 CV 1
ASSI { 919}
(( segid "ocre" and resid 55 and name HN ))
(( segid "ocre" and resid 55 and name HD1 ))
3.300 1.300 1.300 peak 919 spectrum 2 weight 0.11000E+01 volume 0.20049E-02 ppm1 7.685 ppm2 1.328 CV 1
ASSI { 983}
(( segid "ocre" and resid 46 and name HN ))
(( segid "ocre" and resid 46 and name HA ))
2.200 0.600 0.600 peak 983 spectrum 2 weight 0.11000E+01 volume 0.65048E-02 ppm1 8.002 ppm2 3.584 CV 1
ASSI { 984}
(( segid "ocre" and resid 24 and name HN ))
(( segid "ocre" and resid 24 and name HB1 ))
3.300 1.300 1.300 peak 984 spectrum 2 weight 0.11000E+01 volume 0.30025E-02 ppm1 9.351 ppm2 3.370 CV 1
ASSI { 985}
(( segid "ocre" and resid 24 and name HN ))
(( segid "ocre" and resid 24 and name HB2 ))
2.900 1.000 1.000 peak 985 spectrum 2 weight 0.11000E+01 volume 0.14756E-02 ppm1 9.351 ppm2 3.133 CV 1
ASSI { 997}
(( segid "ocre" and resid 46 and name HN ))
(( segid "ocre" and resid 46 and name HG2 ))
3.600 1.600 1.600 peak 997 spectrum 2 weight 0.11000E+01 volume 0.15388E-02 ppm1 8.002 ppm2 2.101 CV 1
ASSI { 1011}
(( segid "ocre" and resid 47 and name HN ))
(( segid "ocre" and resid 48 and name HN ))
3.900 1.900 1.900 peak 1011 spectrum 2 weight 0.11000E+01 volume 0.64355E-03 ppm1 7.038 ppm2 8.839 CV 1
ASSI { 1024}
(( segid "ocre" and resid 47 and name HN ))
(( segid "ocre" and resid 42 and name HN ))
3.000 1.100 1.100 peak 1024 spectrum 2 weight 0.11000E+01 volume 0.17477E-02 ppm1 7.044 ppm2 8.234 CV 1
ASSI { 1025}
(( segid "ocre" and resid 47 and name HN ))
(( segid "ocre" and resid 46 and name HN ))
2.400 0.800 0.800 peak 1025 spectrum 2 weight 0.11000E+01 volume 0.56347E-02 ppm1 7.043 ppm2 8.001 CV 1
ASSI { 1036}
(( segid "ocre" and resid 56 and name HN ))
(( segid "ocre" and resid 57 and name HN ))
3.200 1.200 1.200 peak 1036 spectrum 2 weight 0.11000E+01 volume 0.12674E-02 ppm1 7.864 ppm2 6.503 CV 1
ASSI { 1038}
(( segid "ocre" and resid 32 and name HN ))
(( segid "ocre" and resid 32 and name HA ))
3.300 3.300 2.700 peak 1038 spectrum 2 weight 0.11000E+01 volume 0.84437E-03 ppm1 8.739 ppm2 5.468 CV 1
ASSI { 1055}
(( segid "ocre" and resid 36 and name HN ))
(( segid "ocre" and resid 36 and name HA ))
2.700 2.700 3.300 peak 1055 spectrum 2 weight 0.11000E+01 volume 0.37020E-02 ppm1 8.129 ppm2 4.536 CV 1
ASSI { 1068}
(( segid "ocre" and resid 32 and name HN ))
(( segid "ocre" and resid 32 and name HB1 ))
3.400 3.400 2.600 peak 1068 spectrum 2 weight 0.11000E+01 volume 0.22534E-02 ppm1 8.737 ppm2 3.122 CV 1
ASSI { 1073}
(( segid "ocre" and resid 56 and name HN ))
(( segid "ocre" and resid 56 and name HA ))
2.900 1.000 1.000 peak 1073 spectrum 2 weight 0.11000E+01 volume 0.18964E-02 ppm1 7.864 ppm2 3.027 CV 1
ASSI { 1074}
(( segid "ocre" and resid 36 and name HN ))
(( segid "ocre" and resid 36 and name HB1 ))
2.900 2.900 3.100 peak 1074 spectrum 2 weight 0.11000E+01 volume 0.64849E-02 ppm1 8.129 ppm2 3.026 CV 1
ASSI { 1075}
(( segid "ocre" and resid 36 and name HN ))
(( segid "ocre" and resid 36 and name HB2 ))
2.600 2.600 3.400 peak 1075 spectrum 2 weight 0.11000E+01 volume 0.30702E-02 ppm1 8.129 ppm2 2.839 CV 1
ASSI { 1080}
(( segid "ocre" and resid 56 and name HN ))
(( segid "ocre" and resid 56 and name HB1 ))
3.900 1.900 1.900 peak 1080 spectrum 2 weight 0.11000E+01 volume 0.81395E-03 ppm1 7.865 ppm2 2.097 CV 1
ASSI { 1082}
(( segid "ocre" and resid 47 and name HN ))
(( segid "ocre" and resid 47 and name HG1 ))
3.100 1.200 1.200 peak 1082 spectrum 2 weight 0.11000E+01 volume 0.18286E-02 ppm1 7.043 ppm2 2.290 CV 1
ASSI { 1085}
(( segid "ocre" and resid 47 and name HN ))
(( segid "ocre" and resid 47 and name HB1 ))
3.400 1.400 1.400 peak 1085 spectrum 2 weight 0.11000E+01 volume 0.23056E-02 ppm1 7.043 ppm2 1.885 CV 1
ASSI { 1086}
(( segid "ocre" and resid 47 and name HN ))
(( segid "ocre" and resid 47 and name HB2 ))
2.800 1.000 1.000 peak 1086 spectrum 2 weight 0.11000E+01 volume 0.18630E-02 ppm1 7.042 ppm2 1.656 CV 1
ASSI { 1090}
(( segid "ocre" and resid 39 and name HN ))
(( segid "ocre" and resid 40 and name HN ))
4.300 2.300 1.700 peak 1090 spectrum 2 weight 0.11000E+01 volume 0.49482E-03 ppm1 7.648 ppm2 9.787 CV 1
ASSI { 1100}
(( segid "ocre" and resid 39 and name HN ))
(( segid "ocre" and resid 38 and name HN ))
2.400 0.700 0.700 peak 1100 spectrum 2 weight 0.11000E+01 volume 0.62881E-02 ppm1 7.648 ppm2 8.183 CV 1
ASSI { 1131}
(( segid "ocre" and resid 39 and name HN ))
(( segid "ocre" and resid 39 and name HA ))
3.100 3.100 2.900 peak 1131 spectrum 2 weight 0.11000E+01 volume 0.14518E-02 ppm1 7.648 ppm2 5.374 CV 1
ASSI { 1143}
(( segid "ocre" and resid 39 and name HN ))
(( segid "ocre" and resid 38 and name HA ))
2.900 1.000 1.000 peak 1143 spectrum 2 weight 0.11000E+01 volume 0.24486E-02 ppm1 7.648 ppm2 3.684 CV 1
ASSI { 1145}
(( segid "ocre" and resid 39 and name HN ))
(( segid "ocre" and resid 39 and name HB2 ))
3.200 1.300 1.300 peak 1145 spectrum 2 weight 0.11000E+01 volume 0.31493E-02 ppm1 7.649 ppm2 3.055 CV 1
ASSI { 1192}
(( segid "ocre" and resid 38 and name HN ))
(( segid "ocre" and resid 37 and name HN ))
2.200 0.600 0.600 peak 1192 spectrum 2 weight 0.11000E+01 volume 0.95460E-02 ppm1 8.185 ppm2 7.389 CV 1
ASSI { 1212}
(( segid "ocre" and resid 5 and name HN ))
(( segid "ocre" and resid 5 and name HA ))
2.800 1.000 1.000 peak 1212 spectrum 2 weight 0.11000E+01 volume 0.30830E-02 ppm1 8.143 ppm2 4.215 CV 1
ASSI { 1217}
(( segid "ocre" and resid 38 and name HN ))
(( segid "ocre" and resid 38 and name HA ))
2.300 0.700 0.700 peak 1217 spectrum 2 weight 0.11000E+01 volume 0.66246E-02 ppm1 8.184 ppm2 3.688 CV 1
ASSI { 1223}
(( segid "ocre" and resid 38 and name HN ))
(( segid "ocre" and resid 38 and name HG1 ))
3.100 3.100 2.900 peak 1223 spectrum 2 weight 0.11000E+01 volume 0.13567E-02 ppm1 8.184 ppm2 2.298 CV 1
ASSI { 1230}
(( segid "ocre" and resid 21 and name HN ))
(( segid "ocre" and resid 22 and name HN ))
2.000 0.500 0.500 peak 1230 spectrum 2 weight 0.11000E+01 volume 0.11602E-01 ppm1 7.460 ppm2 8.370 CV 1
ASSI { 1235}
(( segid "ocre" and resid 21 and name HN ))
(( segid "ocre" and resid 20 and name HN ))
2.400 0.700 0.700 peak 1235 spectrum 2 weight 0.11000E+01 volume 0.53391E-02 ppm1 7.459 ppm2 8.219 CV 1
ASSI { 1272}
(( segid "ocre" and resid 21 and name HN ))
(( segid "ocre" and resid 21 and name HA ))
2.800 1.000 1.000 peak 1272 spectrum 2 weight 0.11000E+01 volume 0.24330E-02 ppm1 7.458 ppm2 4.302 CV 1
ASSI { 1275}
(( segid "ocre" and resid 21 and name HN ))
(( segid "ocre" and resid 21 and name HB1 ))
3.100 1.200 1.200 peak 1275 spectrum 2 weight 0.11000E+01 volume 0.16118E-02 ppm1 7.458 ppm2 3.533 CV 1
ASSI { 1344}
(( segid "ocre" and resid 37 and name HN ))
(( segid "ocre" and resid 37 and name HA ))
2.900 1.000 1.000 peak 1344 spectrum 2 weight 0.11000E+01 volume 0.22599E-02 ppm1 7.388 ppm2 4.204 CV 1
ASSI { 1345}
(( segid "ocre" and resid 20 and name HN ))
(( segid "ocre" and resid 20 and name HA ))
2.400 0.700 0.700 peak 1345 spectrum 2 weight 0.11000E+01 volume 0.77974E-02 ppm1 8.211 ppm2 4.120 CV 1
ASSI { 1349}
(( segid "ocre" and resid 20 and name HN ))
(( segid "ocre" and resid 19 and name HA ))
3.300 1.400 1.400 peak 1349 spectrum 2 weight 0.11000E+01 volume 0.10893E-02 ppm1 8.211 ppm2 3.628 CV 1
ASSI { 1475}
(( segid "ocre" and resid 30 and name HN ))
(( segid "ocre" and resid 31 and name HN ))
2.500 0.800 0.800 peak 1475 spectrum 2 weight 0.11000E+01 volume 0.48923E-02 ppm1 8.456 ppm2 7.545 CV 1
ASSI { 1484}
(( segid "ocre" and resid 30 and name HN ))
(( segid "ocre" and resid 29 and name HN ))
2.100 0.600 0.600 peak 1484 spectrum 2 weight 0.11000E+01 volume 0.11533E-01 ppm1 8.456 ppm2 6.738 CV 1
ASSI { 1485}
(( segid "ocre" and resid 28 and name HN ))
(( segid "ocre" and resid 29 and name HN ))
2.400 0.700 0.700 peak 1485 spectrum 2 weight 0.11000E+01 volume 0.68537E-02 ppm1 8.123 ppm2 6.737 CV 1
ASSI { 1494}
(( segid "ocre" and resid 22 and name HN ))
(( segid "ocre" and resid 22 and name HA1 ))
3.000 1.100 1.100 peak 1494 spectrum 2 weight 0.11000E+01 volume 0.26059E-02 ppm1 8.366 ppm2 4.056 CV 1
ASSI { 1496}
(( segid "ocre" and resid 28 and name HN ))
(( segid "ocre" and resid 28 and name HA ))
2.600 0.900 0.900 peak 1496 spectrum 2 weight 0.11000E+01 volume 0.40690E-02 ppm1 8.122 ppm2 4.057 CV 1
ASSI { 1511}
(( segid "ocre" and resid 28 and name HN ))
( segid "ocre" and resid 28 and name HG2%)
2.700 2.700 3.300 peak 1511 spectrum 2 weight 0.11000E+01 volume 0.37165E-02 ppm1 8.123 ppm2 1.248 CV 1
ASSI { 1518}
(( segid "ocre" and resid 14 and name HN ))
(( segid "ocre" and resid 13 and name HN ))
2.600 0.800 0.800 peak 1518 spectrum 2 weight 0.11000E+01 volume 0.35914E-02 ppm1 7.510 ppm2 8.329 CV 1
ASSI { 1544}
(( segid "ocre" and resid 14 and name HN ))
(( segid "ocre" and resid 14 and name HA ))
2.900 1.100 1.100 peak 1544 spectrum 2 weight 0.11000E+01 volume 0.20663E-02 ppm1 7.509 ppm2 4.416 CV 1
ASSI { 1609}
(( segid "ocre" and resid 29 and name HN ))
(( segid "ocre" and resid 29 and name HA ))
2.700 0.900 0.900 peak 1609 spectrum 2 weight 0.11000E+01 volume 0.31268E-02 ppm1 6.743 ppm2 4.263 CV 1
ASSI { 1612}
(( segid "ocre" and resid 29 and name HN ))
(( segid "ocre" and resid 29 and name HB ))
3.700 1.700 1.700 peak 1612 spectrum 2 weight 0.11000E+01 volume 0.79231E-03 ppm1 6.743 ppm2 3.812 CV 1
ASSI { 1618}
(( segid "ocre" and resid 29 and name HN ))
( segid "ocre" and resid 29 and name HG2%)
2.800 1.000 1.000 peak 1618 spectrum 2 weight 0.11000E+01 volume 0.26627E-02 ppm1 6.743 ppm2 1.060 CV 1
ASSI { 1640}
(( segid "ocre" and resid 45 and name HN ))
(( segid "ocre" and resid 46 and name HN ))
2.100 0.500 0.500 peak 1640 spectrum 2 weight 0.11000E+01 volume 0.97647E-02 ppm1 7.188 ppm2 8.001 CV 1
ASSI { 1676}
(( segid "ocre" and resid 44 and name HN ))
(( segid "ocre" and resid 44 and name HA ))
3.200 1.300 1.300 peak 1676 spectrum 2 weight 0.11000E+01 volume 0.12611E-02 ppm1 8.303 ppm2 4.304 CV 1
ASSI { 1680}
(( segid "ocre" and resid 28 and name HN ))
(( segid "ocre" and resid 28 and name HB ))
2.700 0.900 0.900 peak 1680 spectrum 2 weight 0.11000E+01 volume 0.43717E-02 ppm1 8.123 ppm2 4.279 CV 1
ASSI { 1681}
(( segid "ocre" and resid 45 and name HN ))
(( segid "ocre" and resid 45 and name HA ))
3.100 1.200 1.200 peak 1681 spectrum 2 weight 0.11000E+01 volume 0.14986E-02 ppm1 7.187 ppm2 4.192 CV 1
ASSI { 1682}
(( segid "ocre" and resid 45 and name HN ))
( segid "ocre" and resid 45 and name HG2%)
3.100 1.200 1.200 peak 1682 spectrum 2 weight 0.11000E+01 volume 0.12886E-02 ppm1 7.188 ppm2 1.019 CV 1
ASSI { 1688}
(( segid "ocre" and resid 13 and name HN ))
(( segid "ocre" and resid 13 and name HA ))
2.700 0.900 0.900 peak 1688 spectrum 2 weight 0.11000E+01 volume 0.37447E-02 ppm1 8.330 ppm2 4.136 CV 1
ASSI { 1689}
(( segid "ocre" and resid 37 and name HN ))
(( segid "ocre" and resid 37 and name HB1 ))
3.000 1.100 1.100 peak 1689 spectrum 2 weight 0.11000E+01 volume 0.27001E-02 ppm1 7.389 ppm2 3.680 CV 1
ASSI { 1694}
(( segid "ocre" and resid 42 and name HN ))
(( segid "ocre" and resid 42 and name HA ))
3.200 3.200 2.800 peak 1694 spectrum 2 weight 0.11000E+01 volume 0.10107E-02 ppm1 8.226 ppm2 4.862 CV 1
ASSI { 1699}
(( segid "ocre" and resid 11 and name HN ))
(( segid "ocre" and resid 11 and name HB1 ))
3.000 1.100 1.100 peak 1699 spectrum 2 weight 0.11000E+01 volume 0.46455E-02 ppm1 8.245 ppm2 2.692 CV 1
ASSI { 1700}
(( segid "ocre" and resid 11 and name HN ))
(( segid "ocre" and resid 11 and name HB2 ))
2.700 0.900 0.900 peak 1700 spectrum 2 weight 0.11000E+01 volume 0.24965E-02 ppm1 8.244 ppm2 2.463 CV 1
ASSI { 1701}
(( segid "ocre" and resid 18 and name HN ))
(( segid "ocre" and resid 25 and name HN ))
3.600 1.600 1.600 peak 1701 spectrum 2 weight 0.11000E+01 volume 0.76766E-03 ppm1 8.178 ppm2 9.737 CV 1
ASSI { 1702}
(( segid "ocre" and resid 18 and name HN ))
(( segid "ocre" and resid 17 and name HN ))
4.600 2.600 1.400 peak 1702 spectrum 2 weight 0.11000E+01 volume 0.28935E-03 ppm1 8.178 ppm2 9.490 CV 1
ASSI { 1703}
(( segid "ocre" and resid 18 and name HN ))
(( segid "ocre" and resid 19 and name HN ))
4.100 2.100 1.900 peak 1703 spectrum 2 weight 0.11000E+01 volume 0.50938E-03 ppm1 8.179 ppm2 8.763 CV 1
ASSI { 1710}
(( segid "ocre" and resid 18 and name HN ))
(( segid "ocre" and resid 24 and name HA ))
3.100 1.200 1.200 peak 1710 spectrum 2 weight 0.11000E+01 volume 0.14979E-02 ppm1 8.179 ppm2 5.246 CV 1
ASSI { 1712}
(( segid "ocre" and resid 18 and name HN ))
(( segid "ocre" and resid 18 and name HA ))
3.300 1.400 1.400 peak 1712 spectrum 2 weight 0.11000E+01 volume 0.10068E-02 ppm1 8.181 ppm2 4.748 CV 1
ASSI { 1714}
(( segid "ocre" and resid 18 and name HN ))
(( segid "ocre" and resid 17 and name HA ))
2.400 0.700 0.700 peak 1714 spectrum 2 weight 0.11000E+01 volume 0.52373E-02 ppm1 8.180 ppm2 3.959 CV 1
ASSI { 1716}
(( segid "ocre" and resid 18 and name HN ))
(( segid "ocre" and resid 18 and name HB1 ))
3.300 1.400 1.400 peak 1716 spectrum 2 weight 0.11000E+01 volume 0.15305E-02 ppm1 8.178 ppm2 2.983 CV 1
ASSI { 1719}
(( segid "ocre" and resid 18 and name HN ))
(( segid "ocre" and resid 18 and name HB2 ))
2.900 2.900 3.100 peak 1719 spectrum 2 weight 0.11000E+01 volume 0.16902E-02 ppm1 8.178 ppm2 2.381 CV 1
ASSI { 1723}
(( segid "ocre" and resid 52 and name HN ))
(( segid "ocre" and resid 53 and name HN ))
3.900 1.900 1.900 peak 1723 spectrum 2 weight 0.11000E+01 volume 0.33641E-03 ppm1 7.989 ppm2 8.571 CV 1
ASSI { 1729}
(( segid "ocre" and resid 52 and name HN ))
(( segid "ocre" and resid 52 and name HA ))
3.300 1.300 1.300 peak 1729 spectrum 2 weight 0.11000E+01 volume 0.11137E-02 ppm1 7.988 ppm2 4.593 CV 1
ASSI { 1730}
(( segid "ocre" and resid 52 and name HN ))
(( segid "ocre" and resid 51 and name HA ))
2.500 0.800 0.800 peak 1730 spectrum 2 weight 0.11000E+01 volume 0.44513E-02 ppm1 7.987 ppm2 4.354 CV 1
ASSI { 1736}
(( segid "ocre" and resid 52 and name HN ))
(( segid "ocre" and resid 52 and name HB2 ))
3.200 1.300 1.300 peak 1736 spectrum 2 weight 0.11000E+01 volume 0.14527E-02 ppm1 7.988 ppm2 2.142 CV 1
ASSI { 1740}
(( segid "ocre" and resid 16 and name HN ))
(( segid "ocre" and resid 16 and name HA ))
3.000 3.000 3.000 peak 1740 spectrum 2 weight 0.11000E+01 volume 0.15152E-02 ppm1 9.420 ppm2 4.930 CV 1
ASSI { 1744}
(( segid "ocre" and resid 47 and name HN ))
(( segid "ocre" and resid 47 and name HA ))
3.200 1.300 1.300 peak 1744 spectrum 2 weight 0.11000E+01 volume 0.11137E-02 ppm1 7.040 ppm2 4.642 CV 1
ASSI { 1749}
(( segid "ocre" and resid 19 and name HN ))
(( segid "ocre" and resid 19 and name HA ))
3.100 1.200 1.200 peak 1749 spectrum 2 weight 0.11000E+01 volume 0.14299E-02 ppm1 8.761 ppm2 3.630 CV 1
ASSI { 1750}
(( segid "ocre" and resid 54 and name HN ))
(( segid "ocre" and resid 54 and name HA ))
2.800 1.000 1.000 peak 1750 spectrum 2 weight 0.11000E+01 volume 0.26878E-02 ppm1 8.194 ppm2 4.111 CV 1
ASSI { 1757}
(( segid "ocre" and resid 49 and name HN ))
(( segid "ocre" and resid 49 and name HG ))
3.100 1.200 1.200 peak 1757 spectrum 2 weight 0.11000E+01 volume 0.11860E-02 ppm1 9.695 ppm2 1.481 CV 1
ASSI { 1758}
(( segid "ocre" and resid 50 and name HN ))
(( segid "ocre" and resid 50 and name HA ))
2.900 1.100 1.100 peak 1758 spectrum 2 weight 0.11000E+01 volume 0.15758E-02 ppm1 9.483 ppm2 5.706 CV 1
ASSI { 1760}
(( segid "ocre" and resid 50 and name HN ))
(( segid "ocre" and resid 50 and name HB2 ))
4.700 2.700 1.300 peak 1760 spectrum 2 weight 0.11000E+01 volume 0.22448E-03 ppm1 9.482 ppm2 3.080 CV 1
ASSI { 1761}
(( segid "ocre" and resid 50 and name HN ))
(( segid "ocre" and resid 50 and name HB1 ))
3.400 1.400 1.400 peak 1761 spectrum 2 weight 0.11000E+01 volume 0.69256E-03 ppm1 9.484 ppm2 3.314 CV 1
ASSI { 1762}
(( segid "ocre" and resid 48 and name HN ))
(( segid "ocre" and resid 48 and name HA ))
3.400 3.400 2.600 peak 1762 spectrum 2 weight 0.11000E+01 volume 0.64388E-03 ppm1 8.847 ppm2 5.576 CV 1
ASSI { 1768}
(( segid "ocre" and resid 40 and name HN ))
(( segid "ocre" and resid 39 and name HA ))
2.800 2.800 3.200 peak 1768 spectrum 2 weight 0.11000E+01 volume 0.20049E-02 ppm1 9.784 ppm2 5.373 CV 1
ASSI { 1770}
(( segid "ocre" and resid 30 and name HN ))
(( segid "ocre" and resid 30 and name HA2 ))
2.600 0.900 0.900 peak 1770 spectrum 2 weight 0.11000E+01 volume 0.30190E-02 ppm1 8.455 ppm2 3.550 CV 1
ASSI { 1772}
(( segid "ocre" and resid 30 and name HN ))
(( segid "ocre" and resid 30 and name HA1 ))
3.200 1.300 1.300 peak 1772 spectrum 2 weight 0.11000E+01 volume 0.17590E-02 ppm1 8.455 ppm2 4.025 CV 1
ASSI { 1775}
(( segid "ocre" and resid 28 and name HN ))
(( segid "ocre" and resid 30 and name HN ))
3.200 1.300 1.300 peak 1775 spectrum 2 weight 0.11000E+01 volume 0.12904E-02 ppm1 8.123 ppm2 8.460 CV 1
ASSI { 1777}
(( segid "ocre" and resid 22 and name HN ))
(( segid "ocre" and resid 22 and name HA2 ))
2.500 0.800 0.800 peak 1777 spectrum 2 weight 0.11000E+01 volume 0.36733E-02 ppm1 8.366 ppm2 3.676 CV 1
ASSI { 1778}
(( segid "ocre" and resid 8 and name HN ))
(( segid "ocre" and resid 7 and name HB2 ))
3.800 1.800 1.800 peak 1778 spectrum 2 weight 0.11000E+01 volume 0.54427E-03 ppm1 8.390 ppm2 2.869 CV 1
ASSI { 1780}
(( segid "ocre" and resid 61 and name HN ))
(( segid "ocre" and resid 60 and name HB1 ))
3.800 1.800 1.800 peak 1780 spectrum 2 weight 0.11000E+01 volume 0.87500E-03 ppm1 8.781 ppm2 2.330 CV 1
ASSI { 1790}
(( segid "ocre" and resid 36 and name HN ))
(( segid "ocre" and resid 37 and name HN ))
2.900 2.900 3.100 peak 1790 spectrum 2 weight 0.11000E+01 volume 0.20908E-02 ppm1 8.130 ppm2 7.388 CV 1
ASSI { 1791}
(( segid "ocre" and resid 11 and name HN ))
(( segid "ocre" and resid 10 and name HB2 ))
3.700 1.700 1.700 peak 1791 spectrum 2 weight 0.11000E+01 volume 0.76820E-03 ppm1 8.244 ppm2 1.333 CV 1
ASSI { 1797}
(( segid "ocre" and resid 33 and name HN ))
(( segid "ocre" and resid 34 and name HN ))
5.000 3.100 1.000 peak 1797 spectrum 2 weight 0.11000E+01 volume 0.15494E-03 ppm1 9.850 ppm2 8.135 CV 1
ASSI { 1801}
(( segid "ocre" and resid 61 and name HN ))
( segid "ocre" and resid 61 and name HB% )
2.700 2.700 3.300 peak 1801 spectrum 2 weight 0.11000E+01 volume 0.36414E-02 ppm1 8.778 ppm2 1.201 CV 1
ASSI { 1804}
(( segid "ocre" and resid 21 and name HN ))
(( segid "ocre" and resid 23 and name HN ))
3.800 1.800 1.800 peak 1804 spectrum 2 weight 0.11000E+01 volume 0.13052E-02 ppm1 7.464 ppm2 7.998 CV 1
ASSI { 2}
( segid "ocre" and resid 7 and name HD% )
( segid "ocre" and resid 7 and name HE% )
2.100 2.100 3.900 peak 2 spectrum 3 weight 0.11000E+01 volume 0.16276E-01 ppm1 7.234 ppm2 6.813 CV 1
ASSI { 6}
( segid "ocre" and resid 40 and name HD% )
( segid "ocre" and resid 33 and name HE% )
3.800 3.800 2.200 peak 6 spectrum 3 weight 0.11000E+01 volume 0.52832E-03 ppm1 7.262 ppm2 6.369 CV 1
ASSI { 27}
( segid "ocre" and resid 48 and name HD% )
(( segid "sm_n" and resid 106 and name HB1 ))
4.900 4.900 1.100 peak 27 spectrum 3 weight 0.11000E+01 volume 0.13495E-03 ppm1 7.255 ppm2 2.181 CV 1
ASSI { 35}
( segid "ocre" and resid 32 and name HD% )
(( segid "sm_n" and resid 108 and name HG21))
5.000 5.000 1.000 peak 35 spectrum 3 weight 0.11000E+01 volume 0.19268E-03 ppm1 7.294 ppm2 0.849 CV 1
ASSI { 36}
( segid "ocre" and resid 32 and name HD% )
(( segid "sm_n" and resid 108 and name HD11))
4.600 4.600 1.400 peak 36 spectrum 3 weight 0.11000E+01 volume 0.20743E-03 ppm1 7.295 ppm2 0.771 CV 1
ASSI { 46}
( segid "ocre" and resid 24 and name HD% )
(( segid "ocre" and resid 24 and name HA ))
3.500 1.500 1.500 peak 46 spectrum 3 weight 0.11000E+01 volume 0.70102E-03 ppm1 7.237 ppm2 5.261 CV 1
ASSI { 48}
( segid "ocre" and resid 24 and name HD% )
(( segid "ocre" and resid 35 and name HD1 ))
3.300 1.400 1.400 peak 48 spectrum 3 weight 0.11000E+01 volume 0.58656E-03 ppm1 7.233 ppm2 4.314 CV 1
ASSI { 53}
( segid "ocre" and resid 24 and name HD% )
(( segid "ocre" and resid 24 and name HB1 ))
3.000 1.100 1.100 peak 53 spectrum 3 weight 0.11000E+01 volume 0.14383E-02 ppm1 7.234 ppm2 3.346 CV 1
ASSI { 127}
(( segid "ocre" and resid 51 and name HZ2 ))
(( segid "ocre" and resid 51 and name HH2 ))
2.600 0.800 0.800 peak 127 spectrum 3 weight 0.11000E+01 volume 0.42359E-02 ppm1 7.122 ppm2 6.690 CV 1
ASSI { 128}
(( segid "ocre" and resid 51 and name HZ2 ))
(( segid "ocre" and resid 51 and name HZ3 ))
4.700 2.700 1.300 peak 128 spectrum 3 weight 0.11000E+01 volume 0.29815E-03 ppm1 7.120 ppm2 6.134 CV 1
ASSI { 134}
(( segid "ocre" and resid 51 and name HZ2 ))
(( segid "ocre" and resid 56 and name HA ))
3.300 1.300 1.300 peak 134 spectrum 3 weight 0.11000E+01 volume 0.11633E-02 ppm1 7.121 ppm2 2.981 CV 1
ASSI { 153}
( segid "ocre" and resid 50 and name HD% )
( segid "ocre" and resid 50 and name HE% )
2.000 0.500 0.500 peak 153 spectrum 3 weight 0.11000E+01 volume 0.19416E-01 ppm1 7.005 ppm2 6.770 CV 1
ASSI { 163}
( segid "ocre" and resid 50 and name HD% )
(( segid "ocre" and resid 51 and name HA ))
4.200 2.200 1.800 peak 163 spectrum 3 weight 0.11000E+01 volume 0.26966E-03 ppm1 7.003 ppm2 4.358 CV 1
ASSI { 165}
( segid "ocre" and resid 50 and name HD% )
(( segid "ocre" and resid 50 and name HB1 ))
2.600 0.800 0.800 peak 165 spectrum 3 weight 0.11000E+01 volume 0.37846E-02 ppm1 7.004 ppm2 3.299 CV 1
ASSI { 176}
( segid "ocre" and resid 50 and name HD% )
( segid "ocre" and resid 59 and name HG2%)
3.200 1.300 1.300 peak 176 spectrum 3 weight 0.11000E+01 volume 0.11893E-02 ppm1 7.004 ppm2 0.595 CV 1
ASSI { 180}
( segid "ocre" and resid 23 and name HD% )
( segid "ocre" and resid 23 and name HE% )
2.100 2.100 3.900 peak 180 spectrum 3 weight 0.11000E+01 volume 0.71135E-02 ppm1 6.935 ppm2 6.565 CV 1
ASSI { 251}
(( segid "ocre" and resid 51 and name HD1 ))
(( segid "ocre" and resid 51 and name HB1 ))
2.800 1.000 1.000 peak 251 spectrum 3 weight 0.11000E+01 volume 0.21860E-02 ppm1 6.915 ppm2 3.211 CV 1
ASSI { 277}
(( segid "ocre" and resid 51 and name HH2 ))
(( segid "ocre" and resid 51 and name HE3 ))
5.000 3.200 1.000 peak 277 spectrum 3 weight 0.11000E+01 volume 0.18094E-03 ppm1 6.690 ppm2 5.387 CV 1
ASSI { 281}
(( segid "ocre" and resid 51 and name HH2 ))
(( segid "ocre" and resid 56 and name HA ))
3.400 1.500 1.500 peak 281 spectrum 3 weight 0.11000E+01 volume 0.72499E-03 ppm1 6.689 ppm2 2.982 CV 1
ASSI { 282}
(( segid "ocre" and resid 51 and name HH2 ))
(( segid "ocre" and resid 7 and name HB2 ))
3.600 1.600 1.600 peak 282 spectrum 3 weight 0.11000E+01 volume 0.64252E-03 ppm1 6.689 ppm2 2.845 CV 1
ASSI { 285}
(( segid "ocre" and resid 51 and name HH2 ))
(( segid "ocre" and resid 56 and name HB2 ))
3.800 1.800 1.800 peak 285 spectrum 3 weight 0.11000E+01 volume 0.12393E-02 ppm1 6.691 ppm2 2.095 CV 1
ASSI { 296}
( segid "ocre" and resid 24 and name HE% )
( segid "ocre" and resid 24 and name HD% )
2.000 0.500 0.500 peak 296 spectrum 3 weight 0.11000E+01 volume 0.16485E-01 ppm1 6.979 ppm2 7.234 CV 1
ASSI { 297}
( segid "ocre" and resid 40 and name HE% )
( segid "ocre" and resid 40 and name HD% )
2.000 0.500 0.500 peak 297 spectrum 3 weight 0.11000E+01 volume 0.16251E-01 ppm1 6.855 ppm2 7.246 CV 1
ASSI { 298}
( segid "ocre" and resid 32 and name HE% )
( segid "ocre" and resid 32 and name HD% )
2.000 2.000 4.000 peak 298 spectrum 3 weight 0.11000E+01 volume 0.12448E-01 ppm1 6.791 ppm2 7.285 CV 1
ASSI { 300}
( segid "ocre" and resid 48 and name HE% )
( segid "ocre" and resid 48 and name HD% )
2.000 0.500 0.500 peak 300 spectrum 3 weight 0.11000E+01 volume 0.13915E-01 ppm1 6.649 ppm2 7.237 CV 1
ASSI { 308}
( segid "ocre" and resid 24 and name HE% )
( segid "ocre" and resid 17 and name HE% )
2.500 2.500 3.500 peak 308 spectrum 3 weight 0.11000E+01 volume 0.11146E-02 ppm1 6.979 ppm2 6.508 CV 1
ASSI { 310}
( segid "ocre" and resid 24 and name HE% )
( segid "ocre" and resid 17 and name HD% )
3.100 3.100 2.900 peak 310 spectrum 3 weight 0.11000E+01 volume 0.15400E-02 ppm1 6.978 ppm2 6.195 CV 1
ASSI { 313}
( segid "ocre" and resid 40 and name HE% )
( segid "ocre" and resid 33 and name HD% )
3.400 1.500 1.500 peak 313 spectrum 3 weight 0.11000E+01 volume 0.85396E-03 ppm1 6.866 ppm2 5.961 CV 1
ASSI { 316}
( segid "ocre" and resid 40 and name HE% )
( segid "ocre" and resid 58 and name HE% )
3.400 1.400 1.400 peak 316 spectrum 3 weight 0.11000E+01 volume 0.95093E-03 ppm1 6.867 ppm2 5.819 CV 1
ASSI { 317}
( segid "ocre" and resid 40 and name HE% )
(( segid "ocre" and resid 50 and name HA ))
4.500 2.500 1.500 peak 317 spectrum 3 weight 0.11000E+01 volume 0.45360E-03 ppm1 6.866 ppm2 5.733 CV 1
ASSI { 322}
( segid "ocre" and resid 48 and name HE% )
( segid "ocre" and resid 41 and name HD% )
3.000 3.000 3.000 peak 322 spectrum 3 weight 0.11000E+01 volume 0.12696E-02 ppm1 6.648 ppm2 5.839 CV 1
ASSI { 332}
( segid "ocre" and resid 50 and name HE% )
(( segid "ocre" and resid 52 and name HA ))
3.000 1.100 1.100 peak 332 spectrum 3 weight 0.11000E+01 volume 0.21767E-02 ppm1 6.767 ppm2 4.573 CV 1
ASSI { 341}
( segid "ocre" and resid 48 and name HE% )
(( segid "sm_n" and resid 104 and name HD1 ))
5.300 5.300 0.700 peak 341 spectrum 3 weight 0.11000E+01 volume 0.51808E-03 ppm1 6.647 ppm2 3.674 CV 1
ASSI { 342}
( segid "ocre" and resid 48 and name HE% )
(( segid "ocre" and resid 39 and name HB1 ))
3.700 3.700 2.300 peak 342 spectrum 3 weight 0.11000E+01 volume 0.79847E-03 ppm1 6.651 ppm2 3.554 CV 1
ASSI { 343}
( segid "ocre" and resid 24 and name HE% )
(( segid "ocre" and resid 24 and name HB1 ))
4.600 2.700 1.400 peak 343 spectrum 3 weight 0.11000E+01 volume 0.30563E-03 ppm1 6.982 ppm2 3.349 CV 1
ASSI { 344}
( segid "ocre" and resid 24 and name HE% )
(( segid "ocre" and resid 24 and name HB2 ))
4.300 2.300 1.700 peak 344 spectrum 3 weight 0.11000E+01 volume 0.58656E-03 ppm1 6.977 ppm2 3.158 CV 1
ASSI { 346}
( segid "ocre" and resid 40 and name HE% )
(( segid "ocre" and resid 51 and name HB1 ))
3.200 1.300 1.300 peak 346 spectrum 3 weight 0.11000E+01 volume 0.10106E-02 ppm1 6.868 ppm2 3.211 CV 1
ASSI { 347}
( segid "ocre" and resid 40 and name HE% )
(( segid "ocre" and resid 51 and name HB2 ))
3.100 1.200 1.200 peak 347 spectrum 3 weight 0.11000E+01 volume 0.15132E-02 ppm1 6.868 ppm2 2.852 CV 1
ASSI { 351}
( segid "ocre" and resid 24 and name HE% )
(( segid "ocre" and resid 35 and name HB1 ))
3.900 1.900 1.900 peak 351 spectrum 3 weight 0.11000E+01 volume 0.10601E-02 ppm1 6.978 ppm2 2.285 CV 1
ASSI { 356}
( segid "ocre" and resid 48 and name HE% )
(( segid "ocre" and resid 41 and name HB1 ))
3.400 1.400 1.400 peak 356 spectrum 3 weight 0.11000E+01 volume 0.12691E-02 ppm1 6.648 ppm2 2.662 CV 1
ASSI { 357}
( segid "ocre" and resid 48 and name HE% )
(( segid "ocre" and resid 41 and name HB2 ))
3.500 1.500 1.500 peak 357 spectrum 3 weight 0.11000E+01 volume 0.77699E-03 ppm1 6.648 ppm2 2.483 CV 1
ASSI { 358}
( segid "ocre" and resid 24 and name HE% )
(( segid "ocre" and resid 35 and name HG1 ))
3.000 1.100 1.100 peak 358 spectrum 3 weight 0.11000E+01 volume 0.23567E-02 ppm1 6.979 ppm2 2.115 CV 1
ASSI { 360}
( segid "ocre" and resid 48 and name HE% )
(( segid "sm_n" and resid 104 and name HG1 ))
4.200 4.200 1.800 peak 360 spectrum 3 weight 0.11000E+01 volume 0.11596E-02 ppm1 6.645 ppm2 1.902 CV 1
ASSI { 361}
( segid "ocre" and resid 48 and name HE% )
(( segid "sm_n" and resid 102 and name HB2 ))
5.000 5.000 1.000 peak 361 spectrum 3 weight 0.11000E+01 volume 0.33839E-03 ppm1 6.650 ppm2 1.672 CV 1
ASSI { 369}
( segid "ocre" and resid 40 and name HE% )
( segid "ocre" and resid 31 and name HD2%)
3.900 1.900 1.900 peak 369 spectrum 3 weight 0.11000E+01 volume 0.43859E-03 ppm1 6.862 ppm2 -0.066 CV 1
ASSI { 387}
( segid "ocre" and resid 23 and name HE% )
(( segid "sm_n" and resid 105 and name HA ))
3.900 3.900 2.100 peak 387 spectrum 3 weight 0.11000E+01 volume 0.74174E-03 ppm1 6.571 ppm2 4.599 CV 1
ASSI { 393}
( segid "ocre" and resid 23 and name HE% )
(( segid "sm_n" and resid 105 and name HD2 ))
4.100 4.100 1.900 peak 393 spectrum 3 weight 0.11000E+01 volume 0.52983E-03 ppm1 6.567 ppm2 3.521 CV 1
ASSI { 399}
( segid "ocre" and resid 23 and name HE% )
(( segid "ocre" and resid 23 and name HB2 ))
3.900 3.900 2.100 peak 399 spectrum 3 weight 0.11000E+01 volume 0.99467E-03 ppm1 6.563 ppm2 3.093 CV 1
ASSI { 410}
( segid "ocre" and resid 39 and name HE% )
(( segid "sm_n" and resid 109 and name HG1 ))
3.900 3.900 2.100 peak 410 spectrum 3 weight 0.11000E+01 volume 0.45259E-03 ppm1 6.745 ppm2 1.609 CV 1
ASSI { 415}
( segid "ocre" and resid 23 and name HE% )
(( segid "sm_n" and resid 104 and name HG1 ))
5.000 5.000 1.000 peak 415 spectrum 3 weight 0.11000E+01 volume 0.81646E-03 ppm1 6.566 ppm2 1.891 CV 1
ASSI { 417}
( segid "ocre" and resid 23 and name HE% )
(( segid "sm_n" and resid 104 and name HB2 ))
5.500 5.500 0.500 peak 417 spectrum 3 weight 0.11000E+01 volume 0.35363E-03 ppm1 6.569 ppm2 1.780 CV 1
ASSI { 427}
( segid "ocre" and resid 50 and name HE% )
( segid "ocre" and resid 59 and name HG2%)
2.900 1.100 1.100 peak 427 spectrum 3 weight 0.11000E+01 volume 0.24514E-02 ppm1 6.768 ppm2 0.594 CV 1
ASSI { 430}
( segid "ocre" and resid 23 and name HE% )
(( segid "sm_n" and resid 108 and name HG21))
4.800 4.800 1.200 peak 430 spectrum 3 weight 0.11000E+01 volume 0.40486E-03 ppm1 6.572 ppm2 0.849 CV 1
ASSI { 470}
( segid "ocre" and resid 58 and name HD% )
( segid "ocre" and resid 40 and name HE% )
4.600 4.600 1.400 peak 470 spectrum 3 weight 0.11000E+01 volume 0.21368E-03 ppm1 6.449 ppm2 6.870 CV 1
ASSI { 481}
( segid "ocre" and resid 17 and name HD% )
( segid "ocre" and resid 17 and name HE% )
2.200 0.600 0.600 peak 481 spectrum 3 weight 0.11000E+01 volume 0.11220E-01 ppm1 6.197 ppm2 6.504 CV 1
ASSI { 484}
( segid "ocre" and resid 58 and name HD% )
( segid "ocre" and resid 58 and name HE% )
2.500 0.800 0.800 peak 484 spectrum 3 weight 0.11000E+01 volume 0.44433E-02 ppm1 6.446 ppm2 5.819 CV 1
ASSI { 490}
( segid "ocre" and resid 17 and name HD% )
(( segid "ocre" and resid 24 and name HA ))
3.500 1.500 1.500 peak 490 spectrum 3 weight 0.11000E+01 volume 0.91018E-03 ppm1 6.197 ppm2 5.257 CV 1
ASSI { 497}
( segid "ocre" and resid 17 and name HD% )
(( segid "ocre" and resid 17 and name HA ))
2.700 0.900 0.900 peak 497 spectrum 3 weight 0.11000E+01 volume 0.34339E-02 ppm1 6.196 ppm2 3.955 CV 1
ASSI { 498}
( segid "ocre" and resid 58 and name HD% )
(( segid "ocre" and resid 51 and name HB2 ))
3.400 1.500 1.500 peak 498 spectrum 3 weight 0.11000E+01 volume 0.62603E-03 ppm1 6.444 ppm2 2.850 CV 1
ASSI { 504}
( segid "ocre" and resid 17 and name HD% )
(( segid "ocre" and resid 17 and name HB2 ))
2.700 0.900 0.900 peak 504 spectrum 3 weight 0.11000E+01 volume 0.38373E-02 ppm1 6.196 ppm2 2.746 CV 1
ASSI { 506}
( segid "ocre" and resid 58 and name HD% )
(( segid "ocre" and resid 49 and name HB1 ))
3.600 1.700 1.700 peak 506 spectrum 3 weight 0.11000E+01 volume 0.65077E-03 ppm1 6.448 ppm2 1.590 CV 1
ASSI { 511}
( segid "ocre" and resid 58 and name HD% )
( segid "ocre" and resid 49 and name HD1%)
3.900 1.900 1.900 peak 511 spectrum 3 weight 0.11000E+01 volume 0.66752E-03 ppm1 6.447 ppm2 0.635 CV 1
ASSI { 514}
( segid "ocre" and resid 58 and name HD% )
( segid "ocre" and resid 31 and name HD2%)
3.600 1.600 1.600 peak 514 spectrum 3 weight 0.11000E+01 volume 0.63053E-03 ppm1 6.445 ppm2 -0.063 CV 1
ASSI { 548}
(( segid "ocre" and resid 51 and name HZ3 ))
(( segid "ocre" and resid 51 and name HE3 ))
3.300 1.400 1.400 peak 548 spectrum 3 weight 0.11000E+01 volume 0.79249E-03 ppm1 6.140 ppm2 5.383 CV 1
ASSI { 553}
( segid "ocre" and resid 15 and name HE% )
( segid "ocre" and resid 24 and name HD% )
4.400 4.400 1.600 peak 553 spectrum 3 weight 0.11000E+01 volume 0.39586E-03 ppm1 6.236 ppm2 7.240 CV 1
ASSI { 554}
( segid "ocre" and resid 15 and name HE% )
( segid "ocre" and resid 15 and name HD% )
2.200 0.600 0.600 peak 554 spectrum 3 weight 0.11000E+01 volume 0.82928E-02 ppm1 6.239 ppm2 6.816 CV 1
ASSI { 571}
( segid "ocre" and resid 15 and name HE% )
(( segid "ocre" and resid 33 and name HB1 ))
3.200 1.300 1.300 peak 571 spectrum 3 weight 0.11000E+01 volume 0.99366E-03 ppm1 6.237 ppm2 2.671 CV 1
ASSI { 572}
( segid "ocre" and resid 15 and name HE% )
(( segid "ocre" and resid 26 and name HB1 ))
3.300 1.400 1.400 peak 572 spectrum 3 weight 0.11000E+01 volume 0.12848E-02 ppm1 6.237 ppm2 2.492 CV 1
ASSI { 573}
( segid "ocre" and resid 15 and name HE% )
(( segid "ocre" and resid 10 and name HB1 ))
4.100 2.100 1.900 peak 573 spectrum 3 weight 0.11000E+01 volume 0.27690E-03 ppm1 6.238 ppm2 1.800 CV 1
ASSI { 576}
( segid "ocre" and resid 15 and name HE% )
(( segid "ocre" and resid 26 and name HB2 ))
3.300 1.300 1.300 peak 576 spectrum 3 weight 0.11000E+01 volume 0.10319E-02 ppm1 6.238 ppm2 1.101 CV 1
ASSI { 580}
( segid "ocre" and resid 33 and name HE% )
( segid "ocre" and resid 40 and name HE% )
3.200 3.200 2.800 peak 580 spectrum 3 weight 0.11000E+01 volume 0.10979E-02 ppm1 6.357 ppm2 6.868 CV 1
ASSI { 581}
( segid "ocre" and resid 25 and name HE% )
( segid "ocre" and resid 15 and name HD% )
4.100 4.100 1.900 peak 581 spectrum 3 weight 0.11000E+01 volume 0.61354E-03 ppm1 6.356 ppm2 6.803 CV 1
ASSI { 584}
( segid "ocre" and resid 41 and name HE% )
( segid "ocre" and resid 48 and name HE% )
3.300 3.300 2.700 peak 584 spectrum 3 weight 0.11000E+01 volume 0.10137E-02 ppm1 6.141 ppm2 6.650 CV 1
ASSI { 588}
( segid "ocre" and resid 25 and name HE% )
( segid "ocre" and resid 25 and name HD% )
2.100 0.600 0.600 peak 588 spectrum 3 weight 0.11000E+01 volume 0.11882E-01 ppm1 6.379 ppm2 6.063 CV 1
ASSI { 590}
( segid "ocre" and resid 33 and name HE% )
( segid "ocre" and resid 33 and name HD% )
2.300 0.700 0.700 peak 590 spectrum 3 weight 0.11000E+01 volume 0.71878E-02 ppm1 6.360 ppm2 5.963 CV 1
ASSI { 601}
( segid "ocre" and resid 33 and name HE% )
(( segid "ocre" and resid 33 and name HA ))
4.400 2.400 1.600 peak 601 spectrum 3 weight 0.11000E+01 volume 0.49509E-03 ppm1 6.361 ppm2 4.874 CV 1
ASSI { 605}
( segid "ocre" and resid 25 and name HE% )
(( segid "ocre" and resid 25 and name HA ))
4.100 2.100 1.900 peak 605 spectrum 3 weight 0.11000E+01 volume 0.51358E-03 ppm1 6.382 ppm2 4.644 CV 1
ASSI { 610}
( segid "ocre" and resid 41 and name HE% )
(( segid "ocre" and resid 47 and name HA ))
3.800 1.800 1.800 peak 610 spectrum 3 weight 0.11000E+01 volume 0.63654E-03 ppm1 6.143 ppm2 4.624 CV 1
ASSI { 611}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 106 and name HA ))
4.600 4.600 1.400 peak 611 spectrum 3 weight 0.11000E+01 volume 0.18719E-03 ppm1 6.143 ppm2 4.331 CV 1
ASSI { 616}
( segid "ocre" and resid 25 and name HE% )
(( segid "ocre" and resid 30 and name HA2 ))
2.800 1.000 1.000 peak 616 spectrum 3 weight 0.11000E+01 volume 0.25569E-02 ppm1 6.380 ppm2 3.543 CV 1
ASSI { 623}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 104 and name HD1 ))
4.200 4.200 1.800 peak 623 spectrum 3 weight 0.11000E+01 volume 0.39687E-03 ppm1 6.143 ppm2 3.668 CV 1
ASSI { 627}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 102 and name HD1 ))
4.200 2.200 1.800 peak 627 spectrum 3 weight 0.11000E+01 volume 0.61056E-03 ppm1 6.139 ppm2 3.093 CV 1
ASSI { 629}
( segid "ocre" and resid 17 and name HE% )
(( segid "ocre" and resid 17 and name HB2 ))
4.300 2.300 1.700 peak 629 spectrum 3 weight 0.11000E+01 volume 0.60928E-03 ppm1 6.509 ppm2 2.749 CV 1
ASSI { 630}
( segid "ocre" and resid 17 and name HE% )
(( segid "ocre" and resid 19 and name HG1 ))
2.800 1.000 1.000 peak 630 spectrum 3 weight 0.11000E+01 volume 0.27865E-02 ppm1 6.504 ppm2 2.321 CV 1
ASSI { 634}
( segid "ocre" and resid 33 and name HE% )
(( segid "ocre" and resid 33 and name HB1 ))
4.000 2.000 2.000 peak 634 spectrum 3 weight 0.11000E+01 volume 0.90045E-03 ppm1 6.379 ppm2 2.698 CV 1
ASSI { 636}
( segid "ocre" and resid 33 and name HE% )
(( segid "ocre" and resid 35 and name HB1 ))
3.000 1.100 1.100 peak 636 spectrum 3 weight 0.11000E+01 volume 0.23042E-02 ppm1 6.360 ppm2 2.281 CV 1
ASSI { 639}
( segid "ocre" and resid 41 and name HE% )
(( segid "ocre" and resid 41 and name HB1 ))
4.300 2.300 1.700 peak 639 spectrum 3 weight 0.11000E+01 volume 0.46108E-03 ppm1 6.138 ppm2 2.658 CV 1
ASSI { 640}
( segid "ocre" and resid 41 and name HE% )
(( segid "ocre" and resid 41 and name HB2 ))
4.000 2.000 2.000 peak 640 spectrum 3 weight 0.11000E+01 volume 0.54356E-03 ppm1 6.140 ppm2 2.479 CV 1
ASSI { 641}
( segid "ocre" and resid 41 and name HE% )
(( segid "ocre" and resid 46 and name HB1 ))
4.900 2.900 1.100 peak 641 spectrum 3 weight 0.11000E+01 volume 0.42835E-03 ppm1 6.142 ppm2 2.351 CV 1
ASSI { 643}
( segid "ocre" and resid 17 and name HE% )
(( segid "ocre" and resid 19 and name HB1 ))
3.200 1.300 1.300 peak 643 spectrum 3 weight 0.11000E+01 volume 0.31040E-02 ppm1 6.510 ppm2 2.002 CV 1
ASSI { 645}
( segid "ocre" and resid 25 and name HE% )
(( segid "sm_n" and resid 102 and name HG1 ))
4.900 2.900 1.100 peak 645 spectrum 3 weight 0.11000E+01 volume 0.16344E-03 ppm1 6.377 ppm2 1.611 CV 1
ASSI { 646}
( segid "ocre" and resid 33 and name HE% )
(( segid "ocre" and resid 35 and name HB2 ))
3.500 1.500 1.500 peak 646 spectrum 3 weight 0.11000E+01 volume 0.27913E-02 ppm1 6.370 ppm2 2.065 CV 1
ASSI { 647}
( segid "ocre" and resid 41 and name HE% )
(( segid "ocre" and resid 46 and name HG2 ))
4.300 2.300 1.700 peak 647 spectrum 3 weight 0.11000E+01 volume 0.51982E-03 ppm1 6.141 ppm2 2.084 CV 1
ASSI { 648}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 103 and name HB2 ))
3.300 1.400 1.400 peak 648 spectrum 3 weight 0.11000E+01 volume 0.61878E-03 ppm1 6.141 ppm2 1.827 CV 1
ASSI { 651}
( segid "ocre" and resid 33 and name HE% )
( segid "ocre" and resid 12 and name HG2%)
3.000 1.200 1.200 peak 651 spectrum 3 weight 0.11000E+01 volume 0.15220E-02 ppm1 6.360 ppm2 0.595 CV 1
ASSI { 652}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 108 and name HD11))
4.100 2.100 1.900 peak 652 spectrum 3 weight 0.11000E+01 volume 0.32789E-03 ppm1 6.139 ppm2 0.772 CV 1
ASSI { 714}
( segid "ocre" and resid 25 and name HD% )
( segid "ocre" and resid 32 and name HD% )
3.300 1.300 1.300 peak 714 spectrum 3 weight 0.11000E+01 volume 0.75124E-03 ppm1 6.058 ppm2 7.288 CV 1
ASSI { 718}
( segid "ocre" and resid 25 and name HD% )
( segid "ocre" and resid 32 and name HE% )
3.400 1.400 1.400 peak 718 spectrum 3 weight 0.11000E+01 volume 0.10186E-02 ppm1 6.060 ppm2 6.788 CV 1
ASSI { 742}
( segid "ocre" and resid 25 and name HD% )
(( segid "ocre" and resid 25 and name HA ))
2.900 1.000 1.000 peak 742 spectrum 3 weight 0.11000E+01 volume 0.23572E-02 ppm1 6.061 ppm2 4.646 CV 1
ASSI { 745}
( segid "ocre" and resid 41 and name HD% )
(( segid "ocre" and resid 47 and name HA ))
4.300 2.300 1.700 peak 745 spectrum 3 weight 0.11000E+01 volume 0.25116E-03 ppm1 5.837 ppm2 4.630 CV 1
ASSI { 747}
( segid "ocre" and resid 41 and name HD% )
(( segid "ocre" and resid 43 and name HB1 ))
4.300 2.300 1.700 peak 747 spectrum 3 weight 0.11000E+01 volume 0.41986E-03 ppm1 5.838 ppm2 4.072 CV 1
ASSI { 751}
( segid "ocre" and resid 25 and name HD% )
(( segid "ocre" and resid 30 and name HA2 ))
4.200 2.200 1.800 peak 751 spectrum 3 weight 0.11000E+01 volume 0.29791E-03 ppm1 6.061 ppm2 3.541 CV 1
ASSI { 754}
( segid "ocre" and resid 41 and name HD% )
(( segid "ocre" and resid 43 and name HA ))
3.500 1.500 1.500 peak 754 spectrum 3 weight 0.11000E+01 volume 0.13490E-02 ppm1 5.837 ppm2 3.816 CV 1
ASSI { 755}
( segid "ocre" and resid 41 and name HD% )
(( segid "sm_n" and resid 103 and name HD2 ))
4.400 2.400 1.600 peak 755 spectrum 3 weight 0.11000E+01 volume 0.28290E-03 ppm1 5.840 ppm2 3.548 CV 1
ASSI { 757}
( segid "ocre" and resid 41 and name HD% )
(( segid "sm_n" and resid 106 and name HD2 ))
4.800 2.900 1.200 peak 757 spectrum 3 weight 0.11000E+01 volume 0.35488E-03 ppm1 5.834 ppm2 3.466 CV 1
ASSI { 759}
( segid "ocre" and resid 33 and name HD% )
(( segid "ocre" and resid 24 and name HB1 ))
3.900 1.900 1.900 peak 759 spectrum 3 weight 0.11000E+01 volume 0.71750E-03 ppm1 5.961 ppm2 3.347 CV 1
ASSI { 763}
( segid "ocre" and resid 25 and name HD% )
(( segid "ocre" and resid 25 and name HB1 ))
2.500 0.800 0.800 peak 763 spectrum 3 weight 0.11000E+01 volume 0.52184E-02 ppm1 6.061 ppm2 2.702 CV 1
ASSI { 769}
( segid "ocre" and resid 41 and name HD% )
(( segid "ocre" and resid 41 and name HB2 ))
2.800 1.000 1.000 peak 769 spectrum 3 weight 0.11000E+01 volume 0.25149E-02 ppm1 5.838 ppm2 2.474 CV 1
ASSI { 775}
( segid "ocre" and resid 41 and name HD% )
(( segid "sm_n" and resid 103 and name HG1 ))
4.300 4.300 1.700 peak 775 spectrum 3 weight 0.11000E+01 volume 0.32614E-03 ppm1 5.836 ppm2 1.994 CV 1
ASSI { 776}
( segid "ocre" and resid 41 and name HD% )
(( segid "sm_n" and resid 104 and name HG1 ))
4.000 4.000 2.000 peak 776 spectrum 3 weight 0.11000E+01 volume 0.77423E-03 ppm1 5.837 ppm2 1.912 CV 1
ASSI { 777}
( segid "ocre" and resid 41 and name HD% )
(( segid "sm_n" and resid 103 and name HB2 ))
4.500 2.500 1.500 peak 777 spectrum 3 weight 0.11000E+01 volume 0.27716E-03 ppm1 5.832 ppm2 1.840 CV 1
ASSI { 807}
( segid "ocre" and resid 58 and name HE% )
( segid "ocre" and resid 40 and name HD% )
3.300 1.300 1.300 peak 807 spectrum 3 weight 0.11000E+01 volume 0.10127E-02 ppm1 5.821 ppm2 7.234 CV 1
ASSI { 844}
( segid "ocre" and resid 58 and name HE% )
(( segid "ocre" and resid 10 and name HG1 ))
3.700 1.800 1.800 peak 844 spectrum 3 weight 0.11000E+01 volume 0.34739E-03 ppm1 5.810 ppm2 1.151 CV 1
ASSI { 1049}
( segid "ocre" and resid 58 and name HD% )
(( segid "ocre" and resid 58 and name HA ))
3.000 1.100 1.100 peak 1049 spectrum 3 weight 0.11000E+01 volume 0.14278E-02 ppm1 6.445 ppm2 4.904 CV 1
ASSI { 1051}
( segid "ocre" and resid 48 and name HD% )
(( segid "ocre" and resid 48 and name HA ))
2.800 1.000 1.000 peak 1051 spectrum 3 weight 0.11000E+01 volume 0.17829E-02 ppm1 7.236 ppm2 5.580 CV 1
ASSI { 1055}
( segid "ocre" and resid 48 and name HE% )
(( segid "sm_n" and resid 105 and name HA ))
3.900 3.900 2.100 peak 1055 spectrum 3 weight 0.11000E+01 volume 0.43711E-03 ppm1 6.648 ppm2 4.598 CV 1
ASSI { 1056}
( segid "ocre" and resid 48 and name HE% )
(( segid "ocre" and resid 48 and name HB1 ))
4.000 2.000 2.000 peak 1056 spectrum 3 weight 0.11000E+01 volume 0.71700E-03 ppm1 6.650 ppm2 2.786 CV 1
ASSI { 1057}
( segid "ocre" and resid 48 and name HE% )
(( segid "sm_n" and resid 106 and name HB1 ))
3.800 1.800 1.800 peak 1057 spectrum 3 weight 0.11000E+01 volume 0.58931E-03 ppm1 6.650 ppm2 2.191 CV 1
ASSI { 1058}
( segid "ocre" and resid 41 and name HE% )
( segid "ocre" and resid 41 and name HD% )
2.100 0.500 0.500 peak 1058 spectrum 3 weight 0.11000E+01 volume 0.97804E-02 ppm1 6.141 ppm2 5.841 CV 1
ASSI { 1061}
( segid "ocre" and resid 15 and name HD% )
( segid "ocre" and resid 33 and name HD% )
4.100 2.100 1.900 peak 1061 spectrum 3 weight 0.11000E+01 volume 0.34887E-03 ppm1 6.812 ppm2 5.962 CV 1
ASSI { 1063}
( segid "ocre" and resid 15 and name HD% )
(( segid "ocre" and resid 27 and name HD1 ))
4.900 3.000 1.100 peak 1063 spectrum 3 weight 0.11000E+01 volume 0.26241E-03 ppm1 6.821 ppm2 4.032 CV 1
ASSI { 1067}
( segid "ocre" and resid 15 and name HD% )
( segid "ocre" and resid 12 and name HG2%)
4.900 3.000 1.100 peak 1067 spectrum 3 weight 0.11000E+01 volume 0.27690E-03 ppm1 6.817 ppm2 0.598 CV 1
ASSI { 1072}
( segid "ocre" and resid 23 and name HE% )
(( segid "sm_n" and resid 108 and name HD11))
4.700 4.700 1.300 peak 1072 spectrum 3 weight 0.11000E+01 volume 0.34789E-03 ppm1 6.578 ppm2 0.770 CV 1
ASSI { 1073}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 102 and name HG1 ))
4.500 2.500 1.500 peak 1073 spectrum 3 weight 0.11000E+01 volume 0.35112E-03 ppm1 6.139 ppm2 1.611 CV 1
ASSI { 1074}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 108 and name HG21))
4.000 4.000 2.000 peak 1074 spectrum 3 weight 0.11000E+01 volume 0.59955E-03 ppm1 6.141 ppm2 0.848 CV 1
ASSI { 1075}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 104 and name HG1 ))
3.900 1.900 1.900 peak 1075 spectrum 3 weight 0.11000E+01 volume 0.70975E-03 ppm1 6.139 ppm2 1.904 CV 1
ASSI { 1079}
( segid "ocre" and resid 17 and name HD% )
( segid "ocre" and resid 24 and name HD% )
3.900 3.900 2.100 peak 1079 spectrum 3 weight 0.11000E+01 volume 0.39012E-03 ppm1 6.188 ppm2 7.234 CV 1
ASSI { 1082}
( segid "ocre" and resid 17 and name HD% )
(( segid "ocre" and resid 19 and name HB1 ))
4.200 2.200 1.800 peak 1082 spectrum 3 weight 0.11000E+01 volume 0.58505E-03 ppm1 6.195 ppm2 2.002 CV 1
ASSI { 1084}
( segid "ocre" and resid 23 and name HE% )
(( segid "sm_n" and resid 105 and name HG1 ))
3.900 3.900 2.100 peak 1084 spectrum 3 weight 0.11000E+01 volume 0.17556E-02 ppm1 6.564 ppm2 1.941 CV 1
ASSI { 1094}
( segid "ocre" and resid 40 and name HD% )
( segid "ocre" and resid 31 and name HD2%)
3.300 1.400 1.400 peak 1094 spectrum 3 weight 0.11000E+01 volume 0.85919E-03 ppm1 7.242 ppm2 -0.075 CV 1
ASSI { 1098}
( segid "ocre" and resid 25 and name HE% )
(( segid "ocre" and resid 30 and name HA1 ))
3.400 1.400 1.400 peak 1098 spectrum 3 weight 0.11000E+01 volume 0.18841E-02 ppm1 6.368 ppm2 4.027 CV 1
ASSI { 1099}
( segid "ocre" and resid 25 and name HD% )
(( segid "ocre" and resid 30 and name HA1 ))
4.000 2.000 2.000 peak 1099 spectrum 3 weight 0.11000E+01 volume 0.78773E-03 ppm1 6.058 ppm2 4.000 CV 1
ASSI { 1100}
( segid "ocre" and resid 23 and name HD% )
(( segid "ocre" and resid 21 and name HB2 ))
3.100 1.200 1.200 peak 1100 spectrum 3 weight 0.11000E+01 volume 0.81498E-03 ppm1 6.923 ppm2 3.485 CV 1
ASSI { 1101}
( segid "ocre" and resid 39 and name HE% )
(( segid "ocre" and resid 37 and name HB2 ))
3.600 3.600 2.400 peak 1101 spectrum 3 weight 0.11000E+01 volume 0.85120E-03 ppm1 6.730 ppm2 3.667 CV 1
ASSI { 1103}
( segid "ocre" and resid 39 and name HD% )
(( segid "ocre" and resid 37 and name HB2 ))
3.700 3.700 2.300 peak 1103 spectrum 3 weight 0.11000E+01 volume 0.69626E-03 ppm1 7.192 ppm2 3.666 CV 1
ASSI { 1108}
(( segid "ocre" and resid 51 and name HZ2 ))
(( segid "ocre" and resid 9 and name HA ))
3.400 1.400 1.400 peak 1108 spectrum 3 weight 0.11000E+01 volume 0.94768E-03 ppm1 7.120 ppm2 3.811 CV 1
ASSI { 1129}
( segid "ocre" and resid 58 and name HD% )
(( segid "ocre" and resid 49 and name HB2 ))
3.900 1.900 1.900 peak 1129 spectrum 3 weight 0.11000E+01 volume 0.61354E-03 ppm1 6.445 ppm2 1.474 CV 1
ASSI { 1134}
( segid "ocre" and resid 41 and name HE% )
(( segid "ocre" and resid 46 and name HA ))
2.900 1.100 1.100 peak 1134 spectrum 3 weight 0.11000E+01 volume 0.37426E-02 ppm1 6.134 ppm2 3.553 CV 1
ASSI { 1135}
( segid "ocre" and resid 41 and name HE% )
(( segid "ocre" and resid 46 and name HB2 ))
4.100 2.100 1.900 peak 1135 spectrum 3 weight 0.11000E+01 volume 0.11198E-02 ppm1 6.138 ppm2 2.191 CV 1
ASSI { 1136}
(( segid "ocre" and resid 51 and name HZ2 ))
(( segid "ocre" and resid 56 and name HB1 ))
3.500 1.500 1.500 peak 1136 spectrum 3 weight 0.11000E+01 volume 0.12579E-02 ppm1 7.120 ppm2 2.078 CV 1
ASSI { 1137}
(( segid "ocre" and resid 51 and name HH2 ))
(( segid "ocre" and resid 56 and name HG1 ))
4.300 2.300 1.700 peak 1137 spectrum 3 weight 0.11000E+01 volume 0.45830E-03 ppm1 6.688 ppm2 2.000 CV 1
ASSI { 1139}
( segid "ocre" and resid 58 and name HE% )
(( segid "ocre" and resid 51 and name HB2 ))
3.100 1.200 1.200 peak 1139 spectrum 3 weight 0.11000E+01 volume 0.99843E-03 ppm1 5.813 ppm2 2.837 CV 1
ASSI { 1140}
( segid "ocre" and resid 58 and name HE% )
(( segid "ocre" and resid 51 and name HB1 ))
3.100 1.200 1.200 peak 1140 spectrum 3 weight 0.11000E+01 volume 0.30812E-03 ppm1 5.819 ppm2 3.216 CV 1
ASSI { 1142}
( segid "ocre" and resid 58 and name HD% )
( segid "ocre" and resid 40 and name HD% )
3.600 1.600 1.600 peak 1142 spectrum 3 weight 0.11000E+01 volume 0.69010E-03 ppm1 6.441 ppm2 7.226 CV 1
ASSI { 1145}
( segid "ocre" and resid 58 and name HE% )
(( segid "ocre" and resid 51 and name HA ))
4.700 2.800 1.300 peak 1145 spectrum 3 weight 0.11000E+01 volume 0.21849E-03 ppm1 5.820 ppm2 4.368 CV 1
ASSI { 1160}
( segid "ocre" and resid 40 and name HD% )
(( segid "ocre" and resid 33 and name HB1 ))
3.900 1.900 1.900 peak 1160 spectrum 3 weight 0.11000E+01 volume 0.15200E-02 ppm1 7.250 ppm2 2.665 CV 1
ASSI { 1162}
( segid "ocre" and resid 33 and name HD% )
( segid "ocre" and resid 40 and name HD% )
3.300 3.300 2.700 peak 1162 spectrum 3 weight 0.11000E+01 volume 0.10287E-02 ppm1 5.951 ppm2 7.233 CV 1
ASSI { 1168}
( segid "ocre" and resid 15 and name HD% )
( segid "ocre" and resid 33 and name HE% )
4.300 4.300 1.700 peak 1168 spectrum 3 weight 0.11000E+01 volume 0.36615E-03 ppm1 6.810 ppm2 6.334 CV 1
ASSI { 1171}
( segid "ocre" and resid 25 and name HE% )
( segid "ocre" and resid 32 and name HD% )
3.800 3.800 2.200 peak 1171 spectrum 3 weight 0.11000E+01 volume 0.41809E-03 ppm1 6.388 ppm2 7.252 CV 1
ASSI { 1176}
( segid "ocre" and resid 24 and name HD% )
(( segid "ocre" and resid 17 and name HA ))
3.800 1.800 1.800 peak 1176 spectrum 3 weight 0.11000E+01 volume 0.38734E-03 ppm1 7.229 ppm2 3.952 CV 1
ASSI { 1178}
( segid "ocre" and resid 24 and name HD% )
( segid "ocre" and resid 12 and name HG2%)
3.700 1.700 1.700 peak 1178 spectrum 3 weight 0.11000E+01 volume 0.57851E-03 ppm1 7.229 ppm2 0.592 CV 1
ASSI { 1181}
( segid "ocre" and resid 24 and name HD% )
(( segid "ocre" and resid 15 and name HB1 ))
2.800 1.000 1.000 peak 1181 spectrum 3 weight 0.11000E+01 volume 0.33810E-02 ppm1 7.229 ppm2 3.209 CV 1
ASSI { 1182}
( segid "ocre" and resid 15 and name HD% )
( segid "ocre" and resid 24 and name HD% )
4.800 2.900 1.200 peak 1182 spectrum 3 weight 0.11000E+01 volume 0.27932E-03 ppm1 6.824 ppm2 7.233 CV 1
ASSI { 1184}
( segid "ocre" and resid 15 and name HE% )
(( segid "ocre" and resid 33 and name HB2 ))
3.300 1.400 1.400 peak 1184 spectrum 3 weight 0.11000E+01 volume 0.96087E-03 ppm1 6.234 ppm2 2.462 CV 1
ASSI { 1185}
( segid "ocre" and resid 15 and name HD% )
(( segid "ocre" and resid 33 and name HB1 ))
4.000 2.000 2.000 peak 1185 spectrum 3 weight 0.11000E+01 volume 0.25116E-03 ppm1 6.824 ppm2 2.662 CV 1
ASSI { 1186}
(( segid "ocre" and resid 51 and name HZ3 ))
(( segid "ocre" and resid 7 and name HB1 ))
4.400 2.500 1.600 peak 1186 spectrum 3 weight 0.11000E+01 volume 0.19853E-03 ppm1 6.138 ppm2 3.229 CV 1
ASSI { 1188}
(( segid "ocre" and resid 51 and name HH2 ))
(( segid "ocre" and resid 7 and name HB1 ))
4.200 2.200 1.800 peak 1188 spectrum 3 weight 0.11000E+01 volume 0.29794E-03 ppm1 6.700 ppm2 3.229 CV 1
ASSI { 1190}
( segid "ocre" and resid 32 and name HE% )
( segid "ocre" and resid 41 and name HD% )
3.900 3.900 2.100 peak 1190 spectrum 3 weight 0.11000E+01 volume 0.59242E-03 ppm1 6.801 ppm2 5.828 CV 1
ASSI { 1205}
(( segid "ocre" and resid 51 and name HZ2 ))
( segid "ocre" and resid 8 and name HB% )
4.400 2.500 1.600 peak 1205 spectrum 3 weight 0.11000E+01 volume 0.25421E-03 ppm1 7.118 ppm2 1.302 CV 1
ASSI { 1212}
( segid "ocre" and resid 58 and name HD% )
(( segid "ocre" and resid 51 and name HB1 ))
3.400 1.400 1.400 peak 1212 spectrum 3 weight 0.11000E+01 volume 0.19269E-03 ppm1 6.450 ppm2 3.229 CV 1
ASSI { 1214}
( segid "ocre" and resid 23 and name HE% )
(( segid "sm_n" and resid 109 and name HG1 ))
5.100 5.100 0.900 peak 1214 spectrum 3 weight 0.11000E+01 volume 0.21486E-03 ppm1 6.569 ppm2 1.612 CV 1
ASSI { 1215}
( segid "ocre" and resid 41 and name HD% )
(( segid "sm_n" and resid 106 and name HB1 ))
5.500 3.700 0.500 peak 1215 spectrum 3 weight 0.11000E+01 volume 0.83730E-04 ppm1 5.840 ppm2 2.170 CV 1
ASSI { 1216}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 103 and name HG2 ))
3.400 1.500 1.500 peak 1216 spectrum 3 weight 0.11000E+01 volume 0.42995E-03 ppm1 6.139 ppm2 1.939 CV 1
ASSI { 1217}
( segid "ocre" and resid 41 and name HD% )
(( segid "sm_n" and resid 108 and name HD11))
4.500 2.500 1.500 peak 1217 spectrum 3 weight 0.11000E+01 volume 0.17499E-03 ppm1 5.833 ppm2 0.767 CV 1
ASSI { 1219}
( segid "ocre" and resid 48 and name HE% )
(( segid "sm_n" and resid 103 and name HB1 ))
5.200 3.400 0.800 peak 1219 spectrum 3 weight 0.11000E+01 volume 0.37062E-03 ppm1 6.647 ppm2 2.252 CV 1
ASSI { 1220}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 102 and name HB2 ))
4.100 2.100 1.900 peak 1220 spectrum 3 weight 0.11000E+01 volume 0.20589E-03 ppm1 6.141 ppm2 1.665 CV 1
ASSI { 1221}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 104 and name HB2 ))
3.900 1.900 1.900 peak 1221 spectrum 3 weight 0.11000E+01 volume 0.45398E-03 ppm1 6.140 ppm2 1.783 CV 1
ASSI { 1222}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 103 and name HG1 ))
4.300 2.300 1.700 peak 1222 spectrum 3 weight 0.11000E+01 volume 0.46756E-03 ppm1 6.137 ppm2 1.986 CV 1
ASSI { 1224}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 103 and name HB1 ))
4.500 2.600 1.500 peak 1224 spectrum 3 weight 0.11000E+01 volume 0.46055E-03 ppm1 6.138 ppm2 2.252 CV 1
ASSI { 1225}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 101 and name HG1 ))
4.600 4.600 1.400 peak 1225 spectrum 3 weight 0.11000E+01 volume 0.29821E-03 ppm1 6.139 ppm2 2.498 CV 1
ASSI { 1226}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 104 and name HD2 ))
3.900 3.900 2.100 peak 1226 spectrum 3 weight 0.11000E+01 volume 0.33972E-03 ppm1 6.138 ppm2 3.449 CV 1
ASSI { 1227}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 106 and name HD2 ))
4.600 4.600 1.400 peak 1227 spectrum 3 weight 0.11000E+01 volume 0.45759E-03 ppm1 6.138 ppm2 3.483 CV 1
ASSI { 1228}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 103 and name HD2 ))
2.500 0.800 0.800 peak 1228 spectrum 3 weight 0.11000E+01 volume 0.34416E-02 ppm1 6.134 ppm2 3.533 CV 1
ASSI { 1229}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 104 and name HA ))
4.000 4.000 2.000 peak 1229 spectrum 3 weight 0.11000E+01 volume 0.20491E-03 ppm1 6.138 ppm2 4.549 CV 1
ASSI { 1230}
( segid "ocre" and resid 41 and name HE% )
(( segid "sm_n" and resid 105 and name HA ))
3.800 3.800 2.200 peak 1230 spectrum 3 weight 0.11000E+01 volume 0.36594E-03 ppm1 6.142 ppm2 4.602 CV 1
ASSI { 1231}
( segid "ocre" and resid 41 and name HD% )
(( segid "sm_n" and resid 104 and name HD1 ))
5.100 5.100 0.900 peak 1231 spectrum 3 weight 0.11000E+01 volume 0.26134E-03 ppm1 5.827 ppm2 3.659 CV 1
ASSI { 1232}
( segid "ocre" and resid 48 and name HE% )
(( segid "sm_n" and resid 108 and name HG21))
5.000 5.000 1.000 peak 1232 spectrum 3 weight 0.11000E+01 volume 0.31087E-03 ppm1 6.637 ppm2 0.846 CV 1
ASSI { 1233}
( segid "ocre" and resid 48 and name HE% )
(( segid "sm_n" and resid 108 and name HD11))
5.200 3.400 0.800 peak 1233 spectrum 3 weight 0.11000E+01 volume 0.17960E-03 ppm1 6.650 ppm2 0.773 CV 1
ASSI { 1234}
( segid "ocre" and resid 48 and name HE% )
(( segid "sm_n" and resid 102 and name HG1 ))
4.300 4.300 1.700 peak 1234 spectrum 3 weight 0.11000E+01 volume 0.56487E-03 ppm1 6.649 ppm2 1.611 CV 1
ASSI { 1235}
( segid "ocre" and resid 48 and name HE% )
(( segid "sm_n" and resid 104 and name HB2 ))
4.200 2.200 1.800 peak 1235 spectrum 3 weight 0.11000E+01 volume 0.60387E-03 ppm1 6.649 ppm2 1.782 CV 1
ASSI { 1236}
( segid "ocre" and resid 48 and name HE% )
(( segid "sm_n" and resid 103 and name HB2 ))
2.900 2.900 3.100 peak 1236 spectrum 3 weight 0.11000E+01 volume 0.64210E-03 ppm1 6.653 ppm2 1.842 CV 1
ASSI { 1238}
( segid "ocre" and resid 48 and name HE% )
(( segid "sm_n" and resid 103 and name HG1 ))
3.600 3.600 2.400 peak 1238 spectrum 3 weight 0.11000E+01 volume 0.11479E-02 ppm1 6.645 ppm2 1.988 CV 1
ASSI { 1239}
( segid "ocre" and resid 48 and name HE% )
(( segid "sm_n" and resid 106 and name HD2 ))
5.200 5.200 0.800 peak 1239 spectrum 3 weight 0.11000E+01 volume 0.16760E-03 ppm1 6.651 ppm2 3.465 CV 1
ASSI { 1240}
( segid "ocre" and resid 48 and name HE% )
(( segid "sm_n" and resid 104 and name HA ))
4.300 4.300 1.700 peak 1240 spectrum 3 weight 0.11000E+01 volume 0.31114E-03 ppm1 6.651 ppm2 4.545 CV 1
ASSI { 1241}
( segid "ocre" and resid 48 and name HD% )
(( segid "sm_n" and resid 105 and name HA ))
3.600 3.600 2.400 peak 1241 spectrum 3 weight 0.11000E+01 volume 0.14756E-02 ppm1 7.251 ppm2 4.608 CV 1
ASSI { 1242}
( segid "ocre" and resid 48 and name HD% )
(( segid "sm_n" and resid 104 and name HD1 ))
5.300 5.300 0.700 peak 1242 spectrum 3 weight 0.11000E+01 volume 0.35079E-03 ppm1 7.240 ppm2 3.655 CV 1
ASSI { 1244}
( segid "ocre" and resid 23 and name HE% )
(( segid "sm_n" and resid 106 and name HD2 ))
3.700 3.700 2.300 peak 1244 spectrum 3 weight 0.11000E+01 volume 0.72659E-03 ppm1 6.561 ppm2 3.466 CV 1
ASSI { 1246}
( segid "ocre" and resid 23 and name HE% )
(( segid "sm_n" and resid 105 and name HD1 ))
5.000 5.000 1.000 peak 1246 spectrum 3 weight 0.11000E+01 volume 0.32735E-03 ppm1 6.559 ppm2 3.727 CV 1
ASSI { 1248}
( segid "ocre" and resid 25 and name HE% )
(( segid "sm_n" and resid 102 and name HB2 ))
5.500 5.500 0.500 peak 1248 spectrum 3 weight 0.11000E+01 volume 0.97588E-04 ppm1 6.388 ppm2 1.666 CV 1
ASSI { 1249}
( segid "ocre" and resid 25 and name HE% )
(( segid "sm_n" and resid 105 and name HG1 ))
5.100 5.100 0.900 peak 1249 spectrum 3 weight 0.11000E+01 volume 0.33271E-03 ppm1 6.378 ppm2 1.948 CV 1
ASSI { 1251}
( segid "ocre" and resid 25 and name HE% )
(( segid "sm_n" and resid 102 and name HD1 ))
4.600 2.600 1.400 peak 1251 spectrum 3 weight 0.11000E+01 volume 0.17245E-03 ppm1 6.388 ppm2 3.092 CV 1
ASSI { 1253}
( segid "ocre" and resid 32 and name HE% )
(( segid "sm_n" and resid 103 and name HG1 ))
4.500 4.500 1.500 peak 1253 spectrum 3 weight 0.11000E+01 volume 0.43969E-03 ppm1 6.793 ppm2 1.979 CV 1
ASSI { 1254}
( segid "ocre" and resid 32 and name HE% )
(( segid "sm_n" and resid 105 and name HG1 ))
3.600 3.600 2.400 peak 1254 spectrum 3 weight 0.11000E+01 volume 0.45898E-03 ppm1 6.793 ppm2 1.920 CV 1
ASSI { 1255}
( segid "ocre" and resid 32 and name HE% )
(( segid "sm_n" and resid 103 and name HB2 ))
4.000 4.000 2.000 peak 1255 spectrum 3 weight 0.11000E+01 volume 0.37376E-03 ppm1 6.793 ppm2 1.842 CV 1
ASSI { 1256}
( segid "ocre" and resid 32 and name HE% )
(( segid "sm_n" and resid 102 and name HG1 ))
4.300 4.300 1.700 peak 1256 spectrum 3 weight 0.11000E+01 volume 0.21225E-03 ppm1 6.793 ppm2 1.608 CV 1
ASSI { 1257}
( segid "ocre" and resid 32 and name HE% )
(( segid "sm_n" and resid 108 and name HD11))
5.000 5.000 1.000 peak 1257 spectrum 3 weight 0.11000E+01 volume 0.21467E-03 ppm1 6.793 ppm2 0.768 CV 1
ASSI { 1258}
( segid "ocre" and resid 32 and name HE% )
(( segid "sm_n" and resid 108 and name HG21))
4.400 4.400 1.600 peak 1258 spectrum 3 weight 0.11000E+01 volume 0.83105E-03 ppm1 6.793 ppm2 0.866 CV 1
ASSI { 1260}
( segid "ocre" and resid 32 and name HD% )
(( segid "sm_n" and resid 103 and name HG1 ))
5.300 5.300 0.700 peak 1260 spectrum 3 weight 0.11000E+01 volume 0.12027E-03 ppm1 7.292 ppm2 1.979 CV 1
ASSI { 1262}
( segid "ocre" and resid 32 and name HE% )
(( segid "sm_n" and resid 104 and name HB1 ))
4.300 4.300 1.700 peak 1262 spectrum 3 weight 0.11000E+01 volume 0.90352E-03 ppm1 6.799 ppm2 2.150 CV 1
ASSI { 1263}
( segid "ocre" and resid 32 and name HD% )
(( segid "sm_n" and resid 104 and name HB1 ))
5.600 5.600 0.400 peak 1263 spectrum 3 weight 0.11000E+01 volume 0.13809E-03 ppm1 7.292 ppm2 2.174 CV 1
ASSI { 1264}
( segid "ocre" and resid 32 and name HE% )
(( segid "sm_n" and resid 102 and name HD1 ))
3.100 3.100 2.900 peak 1264 spectrum 3 weight 0.11000E+01 volume 0.11535E-02 ppm1 6.793 ppm2 3.092 CV 1
ASSI { 1265}
( segid "ocre" and resid 32 and name HE% )
(( segid "sm_n" and resid 103 and name HD2 ))
4.800 4.800 1.200 peak 1265 spectrum 3 weight 0.11000E+01 volume 0.21320E-03 ppm1 6.793 ppm2 3.541 CV 1
ASSI { 1266}
( segid "ocre" and resid 32 and name HE% )
(( segid "sm_n" and resid 104 and name HD1 ))
5.000 5.000 1.000 peak 1266 spectrum 3 weight 0.11000E+01 volume 0.18857E-03 ppm1 6.793 ppm2 3.659 CV 1
ASSI { 1267}
( segid "ocre" and resid 39 and name HE% )
(( segid "sm_n" and resid 103 and name HG2 ))
4.800 4.800 1.200 peak 1267 spectrum 3 weight 0.11000E+01 volume 0.41897E-03 ppm1 6.731 ppm2 1.951 CV 1
ASSI { 1268}
( segid "ocre" and resid 39 and name HE% )
(( segid "sm_n" and resid 106 and name HG1 ))
3.600 3.600 2.400 peak 1268 spectrum 3 weight 0.11000E+01 volume 0.58333E-03 ppm1 6.730 ppm2 1.908 CV 1
ASSI { 1269}
( segid "ocre" and resid 39 and name HE% )
(( segid "sm_n" and resid 106 and name HB2 ))
4.200 4.200 1.800 peak 1269 spectrum 3 weight 0.11000E+01 volume 0.43451E-03 ppm1 6.732 ppm2 1.814 CV 1
ASSI { 1271}
( segid "ocre" and resid 39 and name HE% )
(( segid "sm_n" and resid 108 and name HD11))
5.200 5.200 0.800 peak 1271 spectrum 3 weight 0.11000E+01 volume 0.17304E-03 ppm1 6.762 ppm2 0.768 CV 1
ASSI { 1273}
( segid "ocre" and resid 39 and name HE% )
(( segid "sm_n" and resid 103 and name HB2 ))
4.900 4.900 1.100 peak 1273 spectrum 3 weight 0.11000E+01 volume 0.57800E-03 ppm1 6.731 ppm2 1.848 CV 1
ASSI { 1274}
( segid "ocre" and resid 39 and name HE% )
(( segid "sm_n" and resid 103 and name HG1 ))
4.800 4.800 1.200 peak 1274 spectrum 3 weight 0.11000E+01 volume 0.38178E-03 ppm1 6.731 ppm2 1.998 CV 1
ASSI { 1275}
( segid "ocre" and resid 39 and name HE% )
(( segid "sm_n" and resid 106 and name HB1 ))
3.800 3.800 2.200 peak 1275 spectrum 3 weight 0.11000E+01 volume 0.33848E-03 ppm1 6.730 ppm2 2.186 CV 1
ASSI { 1276}
( segid "ocre" and resid 39 and name HE% )
(( segid "sm_n" and resid 109 and name HD1 ))
3.500 3.500 2.500 peak 1276 spectrum 3 weight 0.11000E+01 volume 0.69697E-03 ppm1 6.732 ppm2 3.124 CV 1
ASSI { 1277}
( segid "ocre" and resid 39 and name HE% )
(( segid "sm_n" and resid 106 and name HD2 ))
6.000 6.000 0.000 peak 1277 spectrum 3 weight 0.11000E+01 volume 0.62938E-04 ppm1 6.731 ppm2 3.463 CV 1
ASSI { 1282}
( segid "ocre" and resid 39 and name HE% )
(( segid "sm_n" and resid 105 and name HA ))
3.600 3.600 2.400 peak 1282 spectrum 3 weight 0.11000E+01 volume 0.72854E-03 ppm1 6.731 ppm2 4.596 CV 1
ASSI { 53}
(( segid "sm_n" and resid 102 and name HN ))
(( segid "sm_n" and resid 101 and name HA ))
2.500 0.800 0.800 peak 53 spectrum 4 weight 0.11000E+01 volume 0.60780E-02 ppm1 8.414 ppm2 4.420 CV 1
ASSI { 55}
(( segid "sm_n" and resid 102 and name HN ))
(( segid "sm_n" and resid 102 and name HB2 ))
3.600 1.600 1.600 peak 55 spectrum 4 weight 0.11000E+01 volume 0.12770E-02 ppm1 8.414 ppm2 1.654 CV 1
ASSI { 56}
(( segid "sm_n" and resid 102 and name HN ))
(( segid "sm_n" and resid 102 and name HG1 ))
3.900 1.900 1.900 peak 56 spectrum 4 weight 0.11000E+01 volume 0.11564E-02 ppm1 8.413 ppm2 1.597 CV 1
ASSI { 59}
(( segid "sm_n" and resid 102 and name HN ))
(( segid "sm_n" and resid 102 and name HB1 ))
3.200 1.300 1.300 peak 59 spectrum 4 weight 0.11000E+01 volume 0.80531E-03 ppm1 8.413 ppm2 1.747 CV 1
ASSI { 63}
(( segid "sm_n" and resid 109 and name HN ))
(( segid "sm_n" and resid 108 and name HB ))
3.600 1.700 1.700 peak 63 spectrum 4 weight 0.11000E+01 volume 0.97028E-03 ppm1 8.363 ppm2 1.799 CV 1
ASSI { 64}
(( segid "sm_n" and resid 109 and name HN ))
(( segid "sm_n" and resid 109 and name HB2 ))
2.900 1.100 1.100 peak 64 spectrum 4 weight 0.11000E+01 volume 0.15170E-02 ppm1 8.364 ppm2 1.701 CV 1
ASSI { 65}
(( segid "sm_n" and resid 109 and name HN ))
(( segid "sm_n" and resid 109 and name HG1 ))
3.200 1.300 1.300 peak 65 spectrum 4 weight 0.11000E+01 volume 0.74476E-03 ppm1 8.365 ppm2 1.583 CV 1
ASSI { 66}
(( segid "sm_n" and resid 109 and name HN ))
(( segid "sm_n" and resid 108 and name HA ))
2.300 0.700 0.700 peak 66 spectrum 4 weight 0.11000E+01 volume 0.75189E-02 ppm1 8.363 ppm2 4.116 CV 1
ASSI { 67}
(( segid "sm_n" and resid 109 and name HN ))
(( segid "sm_n" and resid 108 and name HG21))
2.400 2.400 3.600 peak 67 spectrum 4 weight 0.11000E+01 volume 0.16389E-02 ppm1 8.363 ppm2 0.826 CV 1
ASSI { 71}
(( segid "sm_n" and resid 107 and name HN ))
(( segid "sm_n" and resid 106 and name HA ))
2.100 0.600 0.600 peak 71 spectrum 4 weight 0.11000E+01 volume 0.92388E-02 ppm1 8.281 ppm2 4.314 CV 1
ASSI { 72}
(( segid "sm_n" and resid 107 and name HN ))
(( segid "sm_n" and resid 107 and name HA1 ))
2.300 0.700 0.700 peak 72 spectrum 4 weight 0.11000E+01 volume 0.72333E-02 ppm1 8.281 ppm2 3.877 CV 1
ASSI { 73}
(( segid "sm_n" and resid 107 and name HN ))
(( segid "sm_n" and resid 106 and name HB1 ))
3.700 1.700 1.700 peak 73 spectrum 4 weight 0.11000E+01 volume 0.89837E-03 ppm1 8.280 ppm2 2.163 CV 1
ASSI { 74}
(( segid "sm_n" and resid 107 and name HN ))
(( segid "sm_n" and resid 106 and name HG1 ))
2.800 2.800 3.200 peak 74 spectrum 4 weight 0.11000E+01 volume 0.62115E-03 ppm1 8.280 ppm2 1.880 CV 1
ASSI { 75}
(( segid "sm_n" and resid 107 and name HN ))
(( segid "sm_n" and resid 106 and name HB2 ))
3.500 1.500 1.500 peak 75 spectrum 4 weight 0.11000E+01 volume 0.85976E-03 ppm1 8.278 ppm2 1.818 CV 1
ASSI { 77}
(( segid "sm_n" and resid 110 and name HN ))
(( segid "sm_n" and resid 109 and name HA ))
2.500 0.800 0.800 peak 77 spectrum 4 weight 0.11000E+01 volume 0.50793E-02 ppm1 7.899 ppm2 4.323 CV 1
ASSI { 78}
(( segid "sm_n" and resid 110 and name HN ))
(( segid "sm_n" and resid 110 and name HA1 ))
2.900 1.100 1.100 peak 78 spectrum 4 weight 0.11000E+01 volume 0.24635E-02 ppm1 7.899 ppm2 3.706 CV 1
ASSI { 79}
(( segid "sm_n" and resid 110 and name HN ))
(( segid "sm_n" and resid 110 and name HA2 ))
2.900 1.000 1.000 peak 79 spectrum 4 weight 0.11000E+01 volume 0.25528E-02 ppm1 7.899 ppm2 3.674 CV 1
ASSI { 80}
(( segid "sm_n" and resid 108 and name HN ))
(( segid "sm_n" and resid 108 and name HA ))
2.500 0.800 0.800 peak 80 spectrum 4 weight 0.11000E+01 volume 0.25704E-02 ppm1 7.865 ppm2 4.118 CV 1
ASSI { 81}
(( segid "sm_n" and resid 108 and name HN ))
(( segid "sm_n" and resid 107 and name HA1 ))
2.000 0.500 0.500 peak 81 spectrum 4 weight 0.11000E+01 volume 0.72227E-02 ppm1 7.868 ppm2 3.878 CV 1
ASSI { 82}
(( segid "sm_n" and resid 108 and name HN ))
(( segid "sm_n" and resid 108 and name HB ))
2.800 1.000 1.000 peak 82 spectrum 4 weight 0.11000E+01 volume 0.46165E-02 ppm1 7.869 ppm2 1.794 CV 1
ASSI { 83}
(( segid "sm_n" and resid 108 and name HN ))
(( segid "sm_n" and resid 108 and name HG11))
3.600 1.600 1.600 peak 83 spectrum 4 weight 0.11000E+01 volume 0.12708E-02 ppm1 7.868 ppm2 1.346 CV 1
ASSI { 84}
(( segid "sm_n" and resid 108 and name HN ))
(( segid "sm_n" and resid 108 and name HG12))
3.000 1.100 1.100 peak 84 spectrum 4 weight 0.11000E+01 volume 0.14842E-02 ppm1 7.868 ppm2 1.111 CV 1
ASSI { 85}
(( segid "sm_n" and resid 108 and name HN ))
(( segid "sm_n" and resid 108 and name HG21))
3.400 1.400 1.400 peak 85 spectrum 4 weight 0.11000E+01 volume 0.19200E-02 ppm1 7.870 ppm2 0.826 CV 1
ASSI { 86}
(( segid "sm_n" and resid 108 and name HN ))
(( segid "sm_n" and resid 108 and name HD11))
3.800 1.800 1.800 peak 86 spectrum 4 weight 0.11000E+01 volume 0.52580E-03 ppm1 7.868 ppm2 0.753 CV 1
ASSI { 88}
(( segid "sm_n" and resid 107 and name HN ))
(( segid "sm_n" and resid 108 and name HN ))
3.400 1.400 1.400 peak 88 spectrum 4 weight 0.11000E+01 volume 0.75896E-03 ppm1 8.280 ppm2 7.869 CV 1
ASSI { 89}
(( segid "sm_n" and resid 108 and name HN ))
(( segid "sm_n" and resid 109 and name HN ))
3.100 1.200 1.200 peak 89 spectrum 4 weight 0.11000E+01 volume 0.84603E-03 ppm1 7.877 ppm2 8.359 CV 1
ASSI { 107}
(( segid "sm_n" and resid 109 and name HN ))
(( segid "sm_n" and resid 108 and name HD11))
3.300 3.300 2.700 peak 107 spectrum 4 weight 0.11000E+01 volume 0.23626E-03 ppm1 8.365 ppm2 0.758 CV 1
ASSI { 108}
(( segid "sm_n" and resid 107 and name HN ))
(( segid "sm_n" and resid 108 and name HD11))
5.700 4.100 0.300 peak 108 spectrum 4 weight 0.11000E+01 volume 0.92249E-04 ppm1 8.282 ppm2 0.755 CV 1
ASSI { 109}
(( segid "sm_n" and resid 107 and name HN ))
(( segid "sm_n" and resid 108 and name HG21))
5.900 4.400 0.100 peak 109 spectrum 4 weight 0.11000E+01 volume 0.14790E-03 ppm1 8.276 ppm2 0.826 CV 1
ASSI { 110}
(( segid "sm_n" and resid 109 and name HN ))
(( segid "sm_n" and resid 108 and name HG12))
4.400 2.400 1.600 peak 110 spectrum 4 weight 0.11000E+01 volume 0.14491E-03 ppm1 8.362 ppm2 1.116 CV 1
ASSI { 111}
(( segid "sm_n" and resid 109 and name HN ))
(( segid "sm_n" and resid 108 and name HG11))
3.300 3.300 2.700 peak 111 spectrum 4 weight 0.11000E+01 volume 0.21791E-03 ppm1 8.368 ppm2 1.355 CV 1
ASSI { 112}
(( segid "sm_n" and resid 109 and name HN ))
(( segid "sm_n" and resid 109 and name HB1 ))
4.200 2.200 1.800 peak 112 spectrum 4 weight 0.11000E+01 volume 0.77693E-03 ppm1 8.366 ppm2 1.828 CV 1
ASSI { 113}
(( segid "sm_n" and resid 109 and name HN ))
(( segid "sm_n" and resid 109 and name HD1 ))
5.700 4.000 0.300 peak 113 spectrum 4 weight 0.11000E+01 volume 0.11687E-03 ppm1 8.361 ppm2 3.114 CV 1
ASSI { 114}
(( segid "sm_n" and resid 110 and name HN ))
(( segid "sm_n" and resid 109 and name HG1 ))
5.000 3.200 1.000 peak 114 spectrum 4 weight 0.11000E+01 volume 0.23555E-03 ppm1 7.891 ppm2 1.575 CV 1
ASSI { 115}
(( segid "sm_n" and resid 110 and name HN ))
(( segid "sm_n" and resid 109 and name HB2 ))
4.500 2.500 1.500 peak 115 spectrum 4 weight 0.11000E+01 volume 0.28122E-03 ppm1 7.899 ppm2 1.695 CV 1
ASSI { 116}
(( segid "sm_n" and resid 102 and name HN ))
(( segid "sm_n" and resid 101 and name HG1 ))
4.100 2.100 1.900 peak 116 spectrum 4 weight 0.11000E+01 volume 0.18346E-03 ppm1 8.417 ppm2 2.485 CV 1
ASSI { 117}
(( segid "sm_n" and resid 102 and name HN ))
(( segid "sm_n" and resid 101 and name HB2 ))
4.000 2.000 2.000 peak 117 spectrum 4 weight 0.11000E+01 volume 0.27048E-03 ppm1 8.417 ppm2 1.920 CV 1
ASSI { 119}
(( segid "sm_n" and resid 102 and name HN ))
(( segid "sm_n" and resid 102 and name HD1 ))
5.100 3.200 0.900 peak 119 spectrum 4 weight 0.11000E+01 volume 0.16464E-03 ppm1 8.409 ppm2 3.075 CV 1
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