NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
529106 |
2lfn   |
17765 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
! using information about b-strands
ASSI { 1188}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 20 and name HN ))
3.600 1.900 1.900 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.24570E-02 ppm1 4.652 ppm2 9.835 CV 1
OR { 1188}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 20 and name HN ))
ASSI { 1195}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 45 and name HN ))
2.900 1.300 1.300 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.61759E-02 ppm1 9.480 ppm2 9.011 CV 1
OR { 1195}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 19 and name HN ))
ASSI { 1196}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HN ))
3.400 1.800 1.800 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.21033E-02 ppm1 9.842 ppm2 9.007 CV 1
OR { 1196}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 45 and name HN ))
ASSI { 1200}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 30 and name HN ))
2.900 1.400 1.400 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.65105E-02 ppm1 8.900 ppm2 8.582 CV 1
OR { 1200}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 23 and name HN ))
ASSI { 1203}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 16 and name HN ))
3.600 1.900 1.900 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.25240E-02 ppm1 6.876 ppm2 8.648 CV 1
OR { 1203}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 14 and name HN ))
ASSI { 1217}
(( segid " " and resid 56 and name HD21))
(( segid " " and resid 57 and name HN ))
4.100 2.400 1.900 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.94649E-03 ppm1 7.532 ppm2 8.207 CV 1
OR { 1217}
(( segid " " and resid 53 and name HD21))
(( segid " " and resid 54 and name HN ))
ASSI { 1220}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 38 and name HN ))
3.300 1.700 1.700 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.40823E-02 ppm1 8.638 ppm2 8.145 CV 1
OR { 1220}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 3 and name HN ))
OR { 1220}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HN ))
ASSI { 1228}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
2.300 1.000 1.000 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.19408E-01 ppm1 8.546 ppm2 7.561 CV 1
OR { 1228}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HN ))
ASSI { 1242}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 65 and name HD21))
3.700 2.000 2.000 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.17591E-02 ppm1 0.664 ppm2 7.366 CV 1
OR { 1242}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 62 and name HD21))
ASSI { 1245}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 65 and name HD22))
4.500 2.800 1.500 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.93024E-03 ppm1 0.664 ppm2 7.025 CV 1
OR { 1245}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 62 and name HD22))
ASSI { 1247}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 15 and name HD% )
3.300 1.600 1.600 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.53346E-02 ppm1 2.737 ppm2 6.880 CV 1
OR { 1247}
(( segid " " and resid 46 and name HB2 ))
( segid " " and resid 15 and name HD% )
OR { 1247}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 15 and name HD% )
ASSI { 1251}
(( segid " " and resid 66 and name HB3 ))
( segid " " and resid 15 and name HE% )
6.000 4.800 0.000 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.955 ppm2 6.669 CV 1
OR { 1251}
(( segid " " and resid 10 and name HB3 ))
( segid " " and resid 15 and name HE% )
OR { 1251}
(( segid " " and resid 14 and name HB2 ))
( segid " " and resid 15 and name HE% )
OR { 1251}
(( segid " " and resid 14 and name HB3 ))
( segid " " and resid 15 and name HE% )
ASSI { 1252}
(( segid " " and resid 10 and name HB3 ))
( segid " " and resid 15 and name HD% )
3.600 2.000 2.000 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.21607E-02 ppm1 2.961 ppm2 6.879 CV 1
OR { 1252}
(( segid " " and resid 47 and name HB3 ))
( segid " " and resid 15 and name HD% )
ASSI { 1258}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 18 and name HD% )
3.300 1.700 1.700 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.28490E-02 ppm1 8.641 ppm2 6.729 CV 1
OR { 1258}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 18 and name HD% )
ASSI { 1259}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 18 and name HE% )
3.000 1.400 1.400 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.45221E-02 ppm1 8.653 ppm2 6.523 CV 1
OR { 1259}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 18 and name HE% )
ASSI { 1272}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 19 and name HA ))
3.300 1.700 1.700 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.29829E-02 ppm1 4.651 ppm2 5.358 CV 1
OR { 1272}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HA ))
ASSI { 1287}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA ))
3.400 1.700 1.700 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.22276E-02 ppm1 8.540 ppm2 4.252 CV 1
OR { 1287}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
ASSI { 1288}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HA ))
2.900 1.300 1.300 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.49523E-02 ppm1 8.734 ppm2 4.247 CV 1
OR { 1288}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA ))
ASSI { 1292}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA ))
2.400 1.000 1.000 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.13384E-01 ppm1 8.629 ppm2 3.366 CV 1
OR { 1292}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HA ))
ASSI { 1293}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
3.200 1.500 1.500 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.32506E-02 ppm1 8.658 ppm2 3.852 CV 1
OR { 1293}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB ))
ASSI { 1301}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HA1 ))
2.700 1.200 1.200 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.88434E-02 ppm1 8.142 ppm2 3.922 CV 1
OR { 1301}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB3 ))
ASSI { 1314}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 33 and name HA ))
2.900 1.400 1.400 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.54016E-02 ppm1 4.654 ppm2 3.366 CV 1
OR { 1314}
(( segid " " and resid 6 and name HA2 ))
(( segid " " and resid 36 and name HA ))
ASSI { 1321}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 36 and name HA ))
3.000 1.400 1.400 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.73614E-02 ppm1 1.960 ppm2 3.355 CV 1
OR { 1321}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 33 and name HA ))
OR { 1321}
(( segid " " and resid 7 and name HG3 ))
(( segid " " and resid 36 and name HA ))
ASSI { 1332}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 35 and name HA ))
3.200 1.600 1.600 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.36330E-02 ppm1 0.632 ppm2 3.914 CV 1
OR { 1332}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 38 and name HB3 ))
ASSI { 1336}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 40 and name HB2 ))
2.700 1.200 1.200 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.10803E-01 ppm1 0.832 ppm2 2.558 CV 1
OR { 1336}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 18 and name HB2 ))
ASSI { 1345}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 32 and name HB ))
3.100 1.500 1.500 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.27534E-02 ppm1 0.751 ppm2 2.170 CV 1
OR { 1345}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 17 and name HG2 ))
ASSI { 1346}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 20 and name HB2 ))
2.500 1.100 1.100 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.10899E-01 ppm1 1.183 ppm2 2.703 CV 1
OR { 1346}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 20 and name HB2 ))
ASSI { 1347}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 39 and name HG2 ))
3.800 2.100 2.100 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.19121E-02 ppm1 1.221 ppm2 2.159 CV 1
OR { 1347}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 17 and name HG2 ))
ASSI { 1352}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 20 and name HB2 ))
4.000 2.300 2.000 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.63383E-03 ppm1 3.689 ppm2 2.703 CV 1
OR { 1352}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 20 and name HB2 ))
OR { 1352}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 1353}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 10 and name HB3 ))
3.800 2.100 2.100 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.33079E-02 ppm1 3.767 ppm2 2.938 CV 1
OR { 1353}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 66 and name HB3 ))
OR { 1353}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HB3 ))
ASSI { 1369}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB2 ))
2.500 1.100 1.100 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.93405E-02 ppm1 9.844 ppm2 2.705 CV 1
OR { 1369}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB2 ))
ASSI { 1373}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HB ))
2.900 1.300 1.300 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.63769E-02 ppm1 8.806 ppm2 1.408 CV 1
OR { 1373}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HG12))
ASSI { 1378}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB ))
2.500 1.100 1.100 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.14532E-01 ppm1 8.636 ppm2 1.829 CV 1
OR { 1378}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HB ))
ASSI { 1382}
(( segid " " and resid 55 and name HN ))
( segid " " and resid 54 and name HG2%)
3.800 2.100 2.100 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.21416E-02 ppm1 8.366 ppm2 1.116 CV 1
OR { 1382}
(( segid " " and resid 53 and name HN ))
( segid " " and resid 52 and name HG2%)
ASSI { 1385}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 32 and name HG1%)
4.300 2.600 1.700 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.16635E-02 ppm1 9.001 ppm2 0.890 CV 1
OR { 1385}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 33 and name HG2%)
ASSI { 1388}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 33 and name HG1%)
3.200 1.600 1.600 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.68070E-02 ppm1 8.631 ppm2 0.741 CV 1
OR { 1388}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HG12))
ASSI { 1409}
(( segid " " and resid 46 and name HB3 ))
( segid " " and resid 67 and name HG1%)
2.900 1.300 1.300 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.81169E-02 ppm1 2.865 ppm2 0.649 CV 1
OR { 1409}
(( segid " " and resid 66 and name HB2 ))
( segid " " and resid 67 and name HG1%)
ASSI { 1416}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 33 and name HG2%)
2.700 1.200 1.200 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.95603E-02 ppm1 8.636 ppm2 0.901 CV 1
OR { 1416}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 32 and name HG1%)
ASSI { 1424}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB3 ))
2.900 1.300 1.300 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.98472E-02 ppm1 8.544 ppm2 1.999 CV 1
OR { 1424}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB3 ))
OR { 1424}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB2 ))
ASSI { 1425}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB3 ))
2.600 1.200 1.200 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.13002E-01 ppm1 8.544 ppm2 3.788 CV 1
OR { 1425}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB2 ))
OR { 1425}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB3 ))
OR { 1425}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB2 ))
OR { 1425}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB3 ))
ASSI { 1427}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HA ))
3.200 1.600 1.600 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 7.790 ppm2 3.922 CV 1
OR { 1427}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 38 and name HB3 ))
ASSI { 1445}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB2 ))
2.500 1.100 1.100 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.91780E-02 ppm1 8.546 ppm2 2.594 CV 1
OR { 1445}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 1446}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB2 ))
4.000 2.300 2.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.23232E-02 ppm1 8.660 ppm2 2.389 CV 1
OR { 1446}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HB2 ))
ASSI { 1449}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB3 ))
2.600 1.100 1.100 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.10421E-01 ppm1 9.006 ppm2 2.708 CV 1
OR { 1449}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB2 ))
OR { 1449}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 1452}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 15 and name HB2 ))
3.000 1.400 1.400 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.16635E-01 ppm1 2.735 ppm2 2.390 CV 1
OR { 1452}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 15 and name HB2 ))
ASSI { 1461}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 36 and name HA ))
6.000 4.800 0.000 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.606 ppm2 3.357 CV 1
OR { 1461}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 33 and name HA ))
ASSI { 1471}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 35 and name HN ))
4.200 2.500 1.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.11759E-02 ppm1 0.739 ppm2 7.785 CV 1
OR { 1471}
(( segid " " and resid 36 and name HG12))
(( segid " " and resid 35 and name HN ))
ASSI { 1474}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 18 and name HN ))
6.000 4.800 0.000 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.798 ppm2 9.473 CV 1
OR { 1474}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 18 and name HN ))
ASSI { 1475}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 18 and name HN ))
4.400 2.800 1.600 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.10039E-02 ppm1 1.207 ppm2 9.469 CV 1
OR { 1475}
(( segid " " and resid 45 and name HG3 ))
(( segid " " and resid 18 and name HN ))
ASSI { 1480}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 37 and name HN ))
3.900 2.200 2.100 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.28873E-02 ppm1 3.943 ppm2 9.037 CV 1
OR { 1480}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 37 and name HN ))
ASSI { 1485}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 30 and name HN ))
3.900 2.200 2.100 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.88627E-03 ppm1 2.830 ppm2 8.581 CV 1
OR { 1485}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 23 and name HN ))
ASSI { 1487}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 11 and name HN ))
6.000 4.800 0.000 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.376 ppm2 8.489 CV 1
OR { 1487}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 11 and name HN ))
ASSI { 1492}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 15 and name HD% )
5.000 3.500 1.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.61952E-03 ppm1 4.369 ppm2 6.879 CV 1
OR { 1492}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 15 and name HD% )
ASSI { 1493}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 15 and name HE% )
6.000 4.800 0.000 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.367 ppm2 6.669 CV 1
OR { 1493}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 15 and name HE% )
ASSI { 1494}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 18 and name HE% )
3.600 1.900 1.900 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.60901E-03 ppm1 4.021 ppm2 6.524 CV 1
OR { 1494}
(( segid " " and resid 58 and name HA2 ))
( segid " " and resid 18 and name HE% )
ASSI { 1495}
(( segid " " and resid 49 and name HA ))
( segid " " and resid 18 and name HE% )
6.000 4.800 0.000 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.582 ppm2 6.526 CV 1
OR { 1495}
(( segid " " and resid 30 and name HA2 ))
( segid " " and resid 18 and name HE% )
ASSI { 1512}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HB3 ))
4.800 3.200 1.200 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.10708E-02 ppm1 4.485 ppm2 1.848 CV 1
OR { 1512}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 35 and name HB ))
OR { 1512}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 1515}
(( segid " " and resid 6 and name HA1 ))
(( segid " " and resid 36 and name HA ))
3.300 1.600 1.600 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.31454E-02 ppm1 3.929 ppm2 3.356 CV 1
OR { 1515}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HA ))
ASSI { 1516}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 66 and name HB2 ))
3.700 2.000 2.000 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.15010E-02 ppm1 3.764 ppm2 2.863 CV 1
OR { 1516}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 8 and name HB3 ))
ASSI { 1518}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 47 and name HB2 ))
4.700 3.000 1.300 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.63673E-03 ppm1 4.024 ppm2 2.564 CV 1
OR { 1518}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 49 and name HB2 ))
ASSI { 1522}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB3 ))
4.100 2.400 1.900 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.14532E-02 ppm1 7.977 ppm2 2.966 CV 1
OR { 1522}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 10 and name HB3 ))
ASSI { 1529}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 33 and name HA ))
5.000 3.400 1.000 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.42544E-03 ppm1 2.170 ppm2 3.366 CV 1
OR { 1529}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 33 and name HA ))
ASSI { 1533}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 35 and name HA ))
4.700 3.000 1.300 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.12238E-02 ppm1 1.735 ppm2 3.923 CV 1
OR { 1533}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 6 and name HA1 ))
ASSI { 1535}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 18 and name HB3 ))
4.600 2.900 1.400 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.12620E-03 ppm1 -0.020 ppm2 2.699 CV 1
OR { 1535}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 20 and name HB2 ))
ASSI { 1542}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 31 and name HA ))
4.200 2.500 1.800 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.17974E-02 ppm1 0.993 ppm2 5.670 CV 1
OR { 1542}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 47 and name HA ))
ASSI { 1550}
(( segid " " and resid 36 and name HG12))
(( segid " " and resid 35 and name HA ))
4.200 2.500 1.800 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.13480E-02 ppm1 0.756 ppm2 3.921 CV 1
OR { 1550}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 35 and name HA ))
ASSI { 1554}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 43 and name HB2 ))
4.100 2.400 1.900 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.79732E-03 ppm1 2.706 ppm2 3.686 CV 1
OR { 1554}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 43 and name HB3 ))
OR { 1554}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 43 and name HB2 ))
OR { 1554}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 43 and name HB3 ))
ASSI { 1556}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HA ))
4.100 2.400 1.900 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.11951E-02 ppm1 2.598 ppm2 3.759 CV 1
OR { 1556}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 11 and name HB2 ))
ASSI { 1558}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 11 and name HB2 ))
4.500 2.800 1.500 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.78397E-03 ppm1 2.945 ppm2 3.765 CV 1
OR { 1558}
(( segid " " and resid 66 and name HB3 ))
(( segid " " and resid 63 and name HA ))
ASSI { 1560}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 15 and name HE% )
6.000 4.800 0.000 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.660 ppm2 6.669 CV 1
OR { 1560}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 15 and name HE% )
ASSI { 1565}
(( segid " " and resid 17 and name HG3 ))
( segid " " and resid 33 and name HG1%)
6.000 4.800 0.000 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.617 ppm2 0.758 CV 1
OR { 1565}
(( segid " " and resid 16 and name HG3 ))
( segid " " and resid 33 and name HG1%)
OR { 1565}
(( segid " " and resid 17 and name HG3 ))
( segid " " and resid 44 and name HG1%)
ASSI { 1574}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 19 and name HN ))
6.000 4.800 0.000 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.832 ppm2 9.003 CV 1
OR { 1574}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 19 and name HN ))
OR { 1574}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 45 and name HN ))
ASSI { 1583}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 59 and name HG ))
6.000 4.800 0.000 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.019 ppm2 1.469 CV 1
OR { 1583}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 29 and name HG ))
ASSI { 1585}
( segid " " and resid 51 and name HG2%)
( segid " " and resid 61 and name HD1%)
6.000 4.800 0.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.812 ppm2 -0.026 CV 1
OR { 1585}
( segid " " and resid 44 and name HG2%)
( segid " " and resid 61 and name HD1%)
OR { 1585}
( segid " " and resid 67 and name HG2%)
( segid " " and resid 61 and name HD1%)
ASSI { 1589}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HA ))
6.000 4.800 0.000 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.364 ppm2 4.202 CV 1
OR { 1589}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HA ))
ASSI { 1591}
(( segid " " and resid 5 and name HG12))
(( segid " " and resid 40 and name HB2 ))
6.000 4.800 0.000 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.378 ppm2 2.562 CV 1
OR { 1591}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 47 and name HB2 ))
OR { 1591}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 49 and name HB2 ))
OR { 1591}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 47 and name HB2 ))
OR { 1591}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 49 and name HB2 ))
OR { 1591}
(( segid " " and resid 48 and name HD3 ))
(( segid " " and resid 47 and name HB2 ))
OR { 1591}
(( segid " " and resid 48 and name HD2 ))
(( segid " " and resid 47 and name HB2 ))
OR { 1591}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 47 and name HB2 ))
ASSI { 1592}
(( segid " " and resid 5 and name HG13))
(( segid " " and resid 40 and name HB2 ))
4.000 2.300 2.000 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.16444E-02 ppm1 1.019 ppm2 2.562 CV 1
OR { 1592}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 47 and name HB2 ))
OR { 1592}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 49 and name HB2 ))
ASSI { 1594}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 47 and name HB2 ))
3.200 1.600 1.600 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.41588E-02 ppm1 6.530 ppm2 2.564 CV 1
OR { 1594}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 18 and name HB2 ))
ASSI { 1599}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 49 and name HB3 ))
6.000 4.800 0.000 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.526 ppm2 2.744 CV 1
OR { 1599}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 46 and name HB2 ))
OR { 1599}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 34 and name HA1 ))
ASSI { 1601}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 46 and name HB2 ))
6.000 4.800 0.000 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.731 ppm2 2.744 CV 1
OR { 1601}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 34 and name HA1 ))
OR { 1601}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 19 and name HB2 ))
ASSI { 1619}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 31 and name HA ))
6.000 4.800 0.000 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.709 ppm2 5.659 CV 1
OR { 1619}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 31 and name HA ))
OR { 1619}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 47 and name HA ))
ASSI { 1625}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 34 and name HA1 ))
6.000 4.800 0.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.609 ppm2 2.727 CV 1
OR { 1625}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 19 and name HB2 ))
ASSI { 1636}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 51 and name HG2%)
6.000 4.800 0.000 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.019 ppm2 0.815 CV 1
OR { 1636}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 51 and name HG1%)
OR { 1636}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 67 and name HG2%)
ASSI { 1645}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 16 and name HG3 ))
6.000 4.800 0.000 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.733 ppm2 1.624 CV 1
OR { 1645}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 17 and name HG3 ))
ASSI { 1685}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 59 and name HB3 ))
3.100 1.500 1.500 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.37477E-02 ppm1 2.638 ppm2 1.400 CV 1
OR { 1685}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 59 and name HB2 ))
OR { 1685}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 61 and name HB ))
ASSI { 1690}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 60 and name HD1%)
6.000 4.800 0.000 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.598 ppm2 0.698 CV 1
OR { 1690}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 29 and name HD1%)
ASSI { 1691}
(( segid " " and resid 28 and name HB3 ))
( segid " " and resid 60 and name HD1%)
6.000 4.800 0.000 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.636 ppm2 0.698 CV 1
OR { 1691}
(( segid " " and resid 28 and name HB3 ))
( segid " " and resid 29 and name HD1%)
ASSI { 1710}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 48 and name HB2 ))
6.000 4.800 0.000 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.627 ppm2 1.411 CV 1
OR { 1710}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 48 and name HB3 ))
OR { 1710}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 61 and name HB ))
OR { 1710}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 48 and name HD2 ))
ASSI { 1712}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HG12))
6.000 4.800 0.000 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.620 ppm2 1.375 CV 1
OR { 1712}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HG2 ))
ASSI { 1717}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HG13))
6.000 4.800 0.000 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.629 ppm2 0.981 CV 1
OR { 1717}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 32 and name HG2%)
ASSI { 1719}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 5 and name HD1%)
6.000 4.800 0.000 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.629 ppm2 0.597 CV 1
OR { 1719}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HG12))
ASSI { 1727}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HG13))
3.500 1.800 1.800 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.33940E-02 ppm1 4.623 ppm2 1.029 CV 1
OR { 1727}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 48 and name HG3 ))
ASSI { 1742}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 20 and name HB2 ))
6.000 4.800 0.000 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.661 ppm2 2.706 CV 1
OR { 1742}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 1779}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 19 and name HB3 ))
4.800 3.100 1.200 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.53635E-03 ppm1 0.599 ppm2 3.005 CV 1
OR { 1779}
(( segid " " and resid 61 and name HG12))
(( segid " " and resid 47 and name HB3 ))
ASSI { 1786}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 31 and name HB2 ))
6.000 4.800 0.000 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.005 ppm2 2.633 CV 1
OR { 1786}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HE2 ))
ASSI { 1811}
( segid " " and resid 60 and name HD1%)
(( segid " " and resid 28 and name HB2 ))
6.000 4.800 0.000 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.704 ppm2 3.589 CV 1
OR { 1811}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 28 and name HB2 ))
OR { 1811}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 28 and name HB2 ))
ASSI { 1825}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HA ))
6.000 4.800 0.000 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.358 ppm2 4.333 CV 1
OR { 1825}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HA ))
ASSI { 1827}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
6.000 4.800 0.000 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.559 ppm2 3.758 CV 1
OR { 1827}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HA ))
ASSI { 1836}
(( segid " " and resid 61 and name HG13))
(( segid " " and resid 59 and name HN ))
3.300 1.700 1.700 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.88434E-03 ppm1 0.990 ppm2 8.460 CV 1
OR { 1836}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 59 and name HN ))
ASSI { 1842}
( segid " " and resid 44 and name HG1%)
(( segid " " and resid 18 and name HB2 ))
4.100 2.400 1.900 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.99431E-03 ppm1 0.747 ppm2 2.562 CV 1
OR { 1842}
( segid " " and resid 44 and name HG1%)
(( segid " " and resid 40 and name HB2 ))
ASSI { 1843}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 31 and name HB2 ))
3.100 1.500 1.500 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.43596E-02 ppm1 0.708 ppm2 2.625 CV 1
OR { 1843}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 31 and name HB2 ))
ASSI { 1848}
( segid " " and resid 67 and name HG1%)
(( segid " " and resid 46 and name HB3 ))
6.000 4.800 0.000 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.657 ppm2 2.859 CV 1
OR { 1848}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 66 and name HB2 ))
ASSI { 1855}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 31 and name HB2 ))
6.000 4.800 0.000 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.405 ppm2 2.632 CV 1
OR { 1855}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 31 and name HB2 ))
ASSI { 1856}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 34 and name HA1 ))
6.000 4.800 0.000 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.625 ppm2 2.731 CV 1
OR { 1856}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 49 and name HB3 ))
OR { 1856}
(( segid " " and resid 45 and name HD3 ))
(( segid " " and resid 46 and name HB2 ))
ASSI { 1871}
(( segid " " and resid 34 and name HA1 ))
(( segid " " and resid 17 and name HG2 ))
3.800 2.100 2.100 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.20555E-02 ppm1 2.732 ppm2 2.174 CV 1
OR { 1871}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 32 and name HB ))
ASSI { 1891}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 38 and name HB3 ))
6.000 5.700 0.000 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.10612E-03 ppm1 1.954 ppm2 3.925 CV 1
OR { 1891}
(( segid " " and resid 7 and name HG3 ))
(( segid " " and resid 6 and name HA1 ))
OR { 1891}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 6 and name HA1 ))
OR { 1891}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 9 and name HB ))
ASSI { 1895}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 18 and name HB2 ))
4.200 2.600 1.800 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.92069E-03 ppm1 5.498 ppm2 2.577 CV 1
OR { 1895}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 47 and name HB2 ))
ASSI { 1898}
(( segid " " and resid 43 and name HA ))
( segid " " and resid 44 and name HG2%)
3.600 1.900 1.900 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.32028E-02 ppm1 4.724 ppm2 0.822 CV 1
OR { 1898}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 51 and name HG2%)
ASSI { 1908}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 47 and name HA ))
6.000 4.800 0.000 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.525 ppm2 5.676 CV 1
OR { 1908}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 31 and name HA ))
ASSI { 1909}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 19 and name HA ))
6.000 4.800 0.000 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.562 ppm2 5.357 CV 1
OR { 1909}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 19 and name HA ))
ASSI { 1}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
3.000 1.500 1.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.40632E-02 ppm1 5.599 ppm2 9.837 CV 1
ASSI { 2}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HN ))
3.100 1.500 1.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.27630E-02 ppm1 5.676 ppm2 9.511 CV 1
ASSI { 4}
(( segid " " and resid 37 and name HA2 ))
(( segid " " and resid 37 and name HN ))
3.100 1.500 1.500 peak 4 spectrum 1 weight 0.10000E+01 volume 0.62429E-02 ppm1 4.346 ppm2 9.033 CV 1
ASSI { 5}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HN ))
3.200 1.600 1.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.28490E-02 ppm1 4.153 ppm2 8.800 CV 1
ASSI { 6}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HN ))
6.000 4.800 0.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.250 ppm2 8.743 CV 1
ASSI { 7}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HN ))
6.000 4.800 0.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.373 ppm2 8.640 CV 1
ASSI { 8}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HN ))
6.000 4.800 0.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.819 ppm2 9.016 CV 1
ASSI { 9}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HN ))
2.700 1.200 1.200 peak 9 spectrum 1 weight 0.10000E+01 volume 0.74954E-02 ppm1 4.987 ppm2 8.971 CV 1
ASSI { 10}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HN ))
6.000 4.800 0.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.793 ppm2 8.657 CV 1
ASSI { 11}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HN ))
6.000 4.800 0.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.615 ppm2 8.658 CV 1
ASSI { 12}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HN ))
6.000 4.800 0.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.562 ppm2 8.617 CV 1
ASSI { 13}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HN ))
2.600 1.100 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.10708E-01 ppm1 4.255 ppm2 8.533 CV 1
ASSI { 14}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HN ))
3.000 1.400 1.400 peak 14 spectrum 1 weight 0.10000E+01 volume 0.40058E-02 ppm1 4.822 ppm2 8.427 CV 1
ASSI { 15}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HN ))
6.000 4.800 0.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.458 ppm2 8.530 CV 1
ASSI { 16}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HN ))
6.000 4.800 0.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.568 ppm2 8.374 CV 1
ASSI { 17}
(( segid " " and resid 41 and name HA2 ))
(( segid " " and resid 41 and name HN ))
2.600 1.200 1.200 peak 17 spectrum 1 weight 0.10000E+01 volume 0.86139E-02 ppm1 4.324 ppm2 9.376 CV 1
ASSI { 18}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HN ))
3.000 1.400 1.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.38338E-02 ppm1 5.495 ppm2 8.942 CV 1
ASSI { 19}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
6.000 4.800 0.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.661 ppm2 8.784 CV 1
ASSI { 20}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HN ))
2.900 1.300 1.300 peak 20 spectrum 1 weight 0.10000E+01 volume 0.57555E-02 ppm1 4.848 ppm2 8.147 CV 1
ASSI { 21}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HN ))
2.800 1.300 1.300 peak 21 spectrum 1 weight 0.10000E+01 volume 0.75909E-02 ppm1 4.575 ppm2 7.871 CV 1
ASSI { 22}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HN ))
6.000 4.800 0.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.795 ppm2 8.193 CV 1
ASSI { 23}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HN ))
6.000 4.800 0.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.495 ppm2 8.151 CV 1
ASSI { 24}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HN ))
6.000 4.800 0.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.485 ppm2 8.200 CV 1
ASSI { 25}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HN ))
2.900 1.400 1.400 peak 25 spectrum 1 weight 0.10000E+01 volume 0.49523E-02 ppm1 4.198 ppm2 7.788 CV 1
ASSI { 26}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
2.700 1.200 1.200 peak 26 spectrum 1 weight 0.10000E+01 volume 0.69314E-02 ppm1 3.928 ppm2 7.782 CV 1
ASSI { 27}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 64 and name HN ))
6.000 4.800 0.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.212 ppm2 8.352 CV 1
ASSI { 28}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HN ))
6.000 4.800 0.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.212 ppm2 8.386 CV 1
ASSI { 30}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HN ))
6.000 4.800 0.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.323 ppm2 8.194 CV 1
ASSI { 31}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 34 and name HN ))
2.500 1.100 1.100 peak 31 spectrum 1 weight 0.10000E+01 volume 0.77533E-02 ppm1 4.047 ppm2 8.087 CV 1
ASSI { 32}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HN ))
6.000 4.800 0.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.390 ppm2 8.144 CV 1
ASSI { 33}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HN ))
6.000 4.800 0.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.439 ppm2 8.489 CV 1
ASSI { 34}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HN ))
6.000 4.800 0.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.486 ppm2 8.460 CV 1
ASSI { 35}
(( segid " " and resid 25 and name HA2 ))
(( segid " " and resid 25 and name HN ))
2.900 1.400 1.400 peak 35 spectrum 1 weight 0.10000E+01 volume 0.73807E-02 ppm1 4.028 ppm2 8.726 CV 1
ASSI { 36}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HN ))
6.000 4.800 0.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.362 ppm2 8.692 CV 1
ASSI { 37}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HN ))
6.000 4.800 0.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.846 ppm2 8.538 CV 1
ASSI { 38}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HN ))
6.000 4.800 0.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.899 ppm2 8.554 CV 1
ASSI { 39}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HN ))
6.000 4.800 0.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.775 ppm2 8.364 CV 1
ASSI { 40}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HN ))
2.800 1.300 1.300 peak 40 spectrum 1 weight 0.10000E+01 volume 0.67973E-02 ppm1 5.359 ppm2 9.005 CV 1
ASSI { 42}
(( segid " " and resid 41 and name HA1 ))
(( segid " " and resid 41 and name HN ))
2.500 1.100 1.100 peak 42 spectrum 1 weight 0.10000E+01 volume 0.16348E-01 ppm1 3.672 ppm2 9.373 CV 1
ASSI { 43}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
6.000 4.800 0.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.369 ppm2 8.635 CV 1
ASSI { 44}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HN ))
6.000 4.800 0.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.745 ppm2 8.324 CV 1
ASSI { 45}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HN ))
3.500 1.800 1.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.45699E-02 ppm1 2.830 ppm2 9.837 CV 1
ASSI { 46}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HN ))
6.000 4.800 0.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.711 ppm2 9.836 CV 1
ASSI { 47}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HB2 ))
6.000 4.800 0.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.835 ppm2 2.719 CV 1
ASSI { 49}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB3 ))
6.000 4.800 0.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.596 ppm2 2.846 CV 1
ASSI { 51}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 47 and name HN ))
6.000 4.800 0.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.572 ppm2 9.512 CV 1
ASSI { 52}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HB2 ))
6.000 4.800 0.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.992 ppm2 2.562 CV 1
ASSI { 53}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HB2 ))
2.800 1.300 1.300 peak 53 spectrum 1 weight 0.10000E+01 volume 0.80691E-02 ppm1 5.677 ppm2 2.559 CV 1
ASSI { 55}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HN ))
2.900 1.300 1.300 peak 55 spectrum 1 weight 0.10000E+01 volume 0.50671E-02 ppm1 4.653 ppm2 9.472 CV 1
ASSI { 56}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HN ))
6.000 4.800 0.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.707 ppm2 9.476 CV 1
ASSI { 58}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HB2 ))
6.000 4.800 0.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.716 ppm2 2.567 CV 1
ASSI { 59}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
3.900 2.200 2.100 peak 59 spectrum 1 weight 0.10000E+01 volume 0.12142E-02 ppm1 4.651 ppm2 2.565 CV 1
ASSI { 60}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB3 ))
6.000 4.800 0.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.653 ppm2 2.708 CV 1
ASSI { 61}
(( segid " " and resid 41 and name HA2 ))
(( segid " " and resid 41 and name HA1 ))
2.400 1.000 1.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.61952E-02 ppm1 4.325 ppm2 3.667 CV 1
ASSI { 62}
(( segid " " and resid 37 and name HA2 ))
(( segid " " and resid 37 and name HA1 ))
1.700 0.600 0.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.54397E-01 ppm1 4.346 ppm2 3.524 CV 1
ASSI { 63}
(( segid " " and resid 61 and name HG12))
( segid " " and resid 61 and name HD1%)
6.000 4.800 0.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.600 ppm2 -0.024 CV 1
ASSI { 64}
(( segid " " and resid 61 and name HG13))
( segid " " and resid 61 and name HD1%)
2.400 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.13863E-01 ppm1 0.979 ppm2 -0.025 CV 1
ASSI { 65}
(( segid " " and resid 61 and name HB ))
( segid " " and resid 61 and name HD1%)
2.600 1.100 1.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.11281E-01 ppm1 1.413 ppm2 -0.025 CV 1
ASSI { 67}
(( segid " " and resid 61 and name HB ))
( segid " " and resid 61 and name HG2%)
6.000 4.800 0.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.414 ppm2 0.658 CV 1
ASSI { 68}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 61 and name HG13))
6.000 4.800 0.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.415 ppm2 0.977 CV 1
ASSI { 69}
(( segid " " and resid 61 and name HG13))
( segid " " and resid 61 and name HG2%)
6.000 4.800 0.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.979 ppm2 0.658 CV 1
ASSI { 70}
(( segid " " and resid 61 and name HG13))
(( segid " " and resid 61 and name HG12))
6.000 4.800 0.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.983 ppm2 0.591 CV 1
ASSI { 71}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 61 and name HG12))
6.000 4.800 0.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.415 ppm2 0.594 CV 1
ASSI { 72}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 61 and name HG12))
6.000 4.800 0.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.665 ppm2 0.594 CV 1
ASSI { 74}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HG12))
6.000 4.800 0.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.155 ppm2 0.594 CV 1
ASSI { 76}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HG13))
3.300 1.700 1.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.28108E-02 ppm1 4.153 ppm2 0.976 CV 1
ASSI { 77}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB ))
2.800 1.300 1.300 peak 77 spectrum 1 weight 0.10000E+01 volume 0.66252E-02 ppm1 4.153 ppm2 1.411 CV 1
ASSI { 78}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 61 and name HN ))
4.200 2.500 1.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.14627E-02 ppm1 -0.023 ppm2 8.799 CV 1
ASSI { 79}
(( segid " " and resid 61 and name HG12))
(( segid " " and resid 61 and name HN ))
6.000 4.800 0.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.602 ppm2 8.803 CV 1
ASSI { 80}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 61 and name HN ))
6.000 4.800 0.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.665 ppm2 8.802 CV 1
ASSI { 81}
(( segid " " and resid 61 and name HG13))
(( segid " " and resid 61 and name HN ))
6.000 4.800 0.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.981 ppm2 8.803 CV 1
ASSI { 82}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 61 and name HN ))
6.000 4.800 0.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.414 ppm2 8.800 CV 1
ASSI { 83}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HN ))
3.600 1.900 1.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.16922E-02 ppm1 3.852 ppm2 7.870 CV 1
ASSI { 84}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HN ))
3.300 1.700 1.700 peak 84 spectrum 1 weight 0.10000E+01 volume 0.30020E-02 ppm1 3.698 ppm2 7.869 CV 1
ASSI { 85}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB3 ))
3.100 1.500 1.500 peak 85 spectrum 1 weight 0.10000E+01 volume 0.40154E-02 ppm1 4.575 ppm2 3.692 CV 1
ASSI { 86}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB2 ))
6.000 4.800 0.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.575 ppm2 3.848 CV 1
ASSI { 87}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 26 and name HB3 ))
2.000 0.800 0.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.15488E-01 ppm1 3.851 ppm2 3.690 CV 1
ASSI { 89}
( segid " " and resid 67 and name HG2%)
(( segid " " and resid 67 and name HN ))
6.000 4.800 0.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.800 ppm2 8.742 CV 1
ASSI { 92}
( segid " " and resid 67 and name HG2%)
(( segid " " and resid 67 and name HA ))
6.000 4.800 0.000 peak 92 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.799 ppm2 4.243 CV 1
ASSI { 93}
(( segid " " and resid 67 and name HB ))
(( segid " " and resid 67 and name HA ))
3.400 1.800 1.800 peak 93 spectrum 1 weight 0.10000E+01 volume 0.18930E-02 ppm1 2.058 ppm2 4.243 CV 1
ASSI { 95}
( segid " " and resid 67 and name HG2%)
(( segid " " and resid 67 and name HB ))
6.000 4.800 0.000 peak 95 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.799 ppm2 2.056 CV 1
ASSI { 96}
( segid " " and resid 67 and name HG1%)
( segid " " and resid 67 and name HG2%)
6.000 4.800 0.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.652 ppm2 0.797 CV 1
ASSI { 97}
(( segid " " and resid 34 and name HA1 ))
(( segid " " and resid 34 and name HN ))
2.700 1.200 1.200 peak 97 spectrum 1 weight 0.10000E+01 volume 0.10612E-01 ppm1 2.741 ppm2 8.087 CV 1
ASSI { 98}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 34 and name HA1 ))
1.500 0.600 0.700 peak 98 spectrum 1 weight 0.10000E+01 volume 0.62622E-01 ppm1 4.048 ppm2 2.737 CV 1
ASSI { 99}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB2 ))
6.000 4.800 0.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.481 ppm2 3.877 CV 1
OR { 99}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB3 ))
ASSI { 100}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 57 and name HN ))
2.800 1.300 1.300 peak 100 spectrum 1 weight 0.10000E+01 volume 0.82697E-02 ppm1 3.873 ppm2 8.206 CV 1
OR { 100}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 57 and name HN ))
ASSI { 102}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 19 and name HB3 ))
3.100 1.500 1.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.43309E-02 ppm1 5.356 ppm2 3.009 CV 1
ASSI { 103}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HB2 ))
6.000 4.800 0.000 peak 103 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.009 ppm2 2.718 CV 1
ASSI { 104}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HN ))
2.900 1.300 1.300 peak 104 spectrum 1 weight 0.10000E+01 volume 0.49906E-02 ppm1 5.627 ppm2 7.695 CV 1
ASSI { 105}
(( segid " " and resid 66 and name HB3 ))
(( segid " " and resid 66 and name HB2 ))
6.000 4.800 0.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.936 ppm2 2.875 CV 1
ASSI { 106}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 66 and name HB2 ))
6.000 4.800 0.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.627 ppm2 2.873 CV 1
ASSI { 108}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HN ))
2.900 1.300 1.300 peak 108 spectrum 1 weight 0.10000E+01 volume 0.49045E-02 ppm1 4.126 ppm2 7.393 CV 1
ASSI { 109}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HN ))
2.900 1.300 1.300 peak 109 spectrum 1 weight 0.10000E+01 volume 0.58316E-02 ppm1 3.759 ppm2 7.558 CV 1
ASSI { 110}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB ))
6.000 4.800 0.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.128 ppm2 1.266 CV 1
ASSI { 111}
(( segid " " and resid 12 and name HG12))
( segid " " and resid 12 and name HD1%)
6.000 4.800 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.850 ppm2 0.454 CV 1
ASSI { 112}
(( segid " " and resid 12 and name HG13))
( segid " " and resid 12 and name HD1%)
6.000 4.800 0.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.240 ppm2 0.457 CV 1
ASSI { 113}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 12 and name HN ))
6.000 4.800 0.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.238 ppm2 7.389 CV 1
ASSI { 114}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 12 and name HN ))
6.000 4.800 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.268 ppm2 7.391 CV 1
ASSI { 115}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 12 and name HN ))
6.000 4.800 0.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.799 ppm2 7.391 CV 1
ASSI { 116}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HN ))
4.400 2.800 1.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.96563E-03 ppm1 0.460 ppm2 7.390 CV 1
ASSI { 117}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 12 and name HG12))
6.000 4.800 0.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.239 ppm2 0.846 CV 1
ASSI { 118}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG12))
6.000 4.800 0.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.126 ppm2 0.846 CV 1
ASSI { 119}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 12 and name HD1%)
3.900 2.200 2.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.22849E-02 ppm1 4.129 ppm2 0.452 CV 1
ASSI { 120}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB3 ))
4.200 2.500 1.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.68740E-03 ppm1 4.254 ppm2 3.788 CV 1
OR { 120}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 24 and name HB2 ))
ASSI { 121}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 22 and name HN ))
6.000 4.800 0.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.784 ppm2 8.530 CV 1
OR { 121}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HN ))
ASSI { 122}
(( segid " " and resid 2 and name HA ))
( segid " " and resid 2 and name HB% )
6.000 4.800 0.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.562 ppm2 1.221 CV 1
ASSI { 124}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HN ))
6.000 4.800 0.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.724 ppm2 9.002 CV 1
ASSI { 125}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 19 and name HN ))
3.000 1.500 1.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.57651E-02 ppm1 3.009 ppm2 9.000 CV 1
ASSI { 126}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 46 and name HN ))
6.000 4.800 0.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.735 ppm2 8.939 CV 1
ASSI { 127}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 46 and name HN ))
6.000 4.800 0.000 peak 127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.866 ppm2 8.940 CV 1
ASSI { 128}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 46 and name HB2 ))
6.000 4.800 0.000 peak 128 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.874 ppm2 2.718 CV 1
ASSI { 129}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HB2 ))
3.300 1.600 1.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.32697E-02 ppm1 5.497 ppm2 2.731 CV 1
ASSI { 130}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HB3 ))
3.400 1.700 1.700 peak 130 spectrum 1 weight 0.10000E+01 volume 0.16826E-02 ppm1 5.495 ppm2 2.861 CV 1
ASSI { 131}
(( segid " " and resid 3 and name HA ))
( segid " " and resid 3 and name HG2%)
2.800 1.300 1.300 peak 131 spectrum 1 weight 0.10000E+01 volume 0.74574E-02 ppm1 4.398 ppm2 1.125 CV 1
ASSI { 132}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 35 and name HN ))
2.300 1.000 1.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.13767E-01 ppm1 1.834 ppm2 7.782 CV 1
ASSI { 133}
( segid " " and resid 35 and name HG1%)
(( segid " " and resid 35 and name HN ))
6.000 4.800 0.000 peak 133 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.847 ppm2 7.783 CV 1
ASSI { 134}
(( segid " " and resid 35 and name HB ))
( segid " " and resid 35 and name HG1%)
6.000 4.800 0.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.835 ppm2 0.846 CV 1
ASSI { 135}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB ))
2.800 1.300 1.300 peak 135 spectrum 1 weight 0.10000E+01 volume 0.76102E-02 ppm1 3.929 ppm2 1.835 CV 1
ASSI { 136}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 35 and name HG1%)
6.000 4.800 0.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.927 ppm2 0.841 CV 1
ASSI { 137}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HN ))
3.100 1.500 1.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.35087E-02 ppm1 4.640 ppm2 7.968 CV 1
ASSI { 139}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 15 and name HN ))
2.700 1.200 1.200 peak 139 spectrum 1 weight 0.10000E+01 volume 0.40537E-02 ppm1 2.396 ppm2 7.968 CV 1
ASSI { 140}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 15 and name HB2 ))
1.500 0.600 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.53346E-01 ppm1 3.103 ppm2 2.391 CV 1
ASSI { 141}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB2 ))
6.000 4.800 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.639 ppm2 2.393 CV 1
ASSI { 142}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB3 ))
6.000 4.800 0.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.639 ppm2 3.097 CV 1
ASSI { 143}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 2 and name HN ))
2.700 1.200 1.200 peak 143 spectrum 1 weight 0.10000E+01 volume 0.92927E-02 ppm1 1.227 ppm2 8.616 CV 1
ASSI { 144}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HN ))
6.000 4.800 0.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.622 ppm2 8.900 CV 1
ASSI { 145}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HN ))
3.100 1.500 1.500 peak 145 spectrum 1 weight 0.10000E+01 volume 0.47898E-02 ppm1 2.381 ppm2 8.898 CV 1
OR { 145}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HN ))
ASSI { 146}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HN ))
3.900 2.200 2.100 peak 146 spectrum 1 weight 0.10000E+01 volume 0.21989E-02 ppm1 2.099 ppm2 8.898 CV 1
ASSI { 148}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HB2 ))
6.000 4.800 0.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.099 ppm2 1.995 CV 1
ASSI { 153}
(( segid " " and resid 51 and name HB ))
(( segid " " and resid 51 and name HN ))
2.900 1.300 1.300 peak 153 spectrum 1 weight 0.10000E+01 volume 0.74188E-02 ppm1 2.044 ppm2 7.789 CV 1
ASSI { 155}
(( segid " " and resid 9 and name HB ))
(( segid " " and resid 9 and name HN ))
2.500 1.100 1.100 peak 155 spectrum 1 weight 0.10000E+01 volume 0.15106E-01 ppm1 3.915 ppm2 7.558 CV 1
ASSI { 158}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 9 and name HA ))
2.800 1.200 1.200 peak 158 spectrum 1 weight 0.10000E+01 volume 0.75239E-02 ppm1 1.216 ppm2 3.756 CV 1
ASSI { 160}
(( segid " " and resid 9 and name HB ))
( segid " " and resid 9 and name HG2%)
2.400 1.000 1.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.13098E-01 ppm1 3.915 ppm2 1.214 CV 1
ASSI { 161}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HN ))
3.100 1.500 1.500 peak 161 spectrum 1 weight 0.10000E+01 volume 0.28968E-02 ppm1 2.639 ppm2 8.784 CV 1
ASSI { 162}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HN ))
6.000 4.800 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.833 ppm2 8.784 CV 1
ASSI { 163}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 31 and name HB2 ))
6.000 4.800 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.835 ppm2 2.634 CV 1
ASSI { 164}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB2 ))
6.000 4.800 0.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.660 ppm2 2.634 CV 1
ASSI { 165}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB3 ))
6.000 4.800 0.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.662 ppm2 2.831 CV 1
ASSI { 169}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HN ))
4.400 2.700 1.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.15488E-02 ppm1 2.151 ppm2 8.428 CV 1
ASSI { 170}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HN ))
2.900 1.300 1.300 peak 170 spectrum 1 weight 0.10000E+01 volume 0.14532E-01 ppm1 1.869 ppm2 8.429 CV 1
ASSI { 171}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HN ))
2.600 1.200 1.200 peak 171 spectrum 1 weight 0.10000E+01 volume 0.64247E-02 ppm1 1.705 ppm2 8.427 CV 1
ASSI { 172}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HB2 ))
1.600 0.600 0.600 peak 172 spectrum 1 weight 0.10000E+01 volume 0.48089E-01 ppm1 1.867 ppm2 1.698 CV 1
ASSI { 173}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HB2 ))
3.400 1.700 1.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.35661E-02 ppm1 2.155 ppm2 1.693 CV 1
ASSI { 174}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HB2 ))
6.000 4.800 0.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.249 ppm2 1.695 CV 1
ASSI { 175}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HB3 ))
6.000 4.800 0.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.163 ppm2 1.864 CV 1
ASSI { 176}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HB3 ))
6.000 4.800 0.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.253 ppm2 1.864 CV 1
ASSI { 177}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HG2 ))
6.000 4.800 0.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.249 ppm2 2.150 CV 1
ASSI { 178}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB2 ))
6.000 4.800 0.000 peak 178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.823 ppm2 1.698 CV 1
ASSI { 179}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HB3 ))
2.700 1.200 1.200 peak 179 spectrum 1 weight 0.10000E+01 volume 0.72852E-02 ppm1 4.821 ppm2 1.867 CV 1
ASSI { 180}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HG2 ))
3.200 1.600 1.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.22563E-02 ppm1 4.828 ppm2 2.150 CV 1
ASSI { 181}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HG3 ))
2.200 0.900 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.30880E-01 ppm1 4.828 ppm2 2.239 CV 1
ASSI { 185}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HG3 ))
3.200 1.600 1.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.49141E-02 ppm1 8.431 ppm2 2.236 CV 1
ASSI { 186}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB3 ))
2.100 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.26578E-01 ppm1 4.254 ppm2 2.292 CV 1
ASSI { 187}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HD2 ))
1.500 0.600 0.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.63003E-01 ppm1 3.685 ppm2 3.477 CV 1
ASSI { 188}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HD3 ))
6.000 4.800 0.000 peak 188 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.252 ppm2 3.683 CV 1
ASSI { 189}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HD2 ))
4.600 3.000 1.400 peak 189 spectrum 1 weight 0.10000E+01 volume 0.73426E-03 ppm1 4.254 ppm2 3.475 CV 1
ASSI { 190}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HG2 ))
2.600 1.100 1.100 peak 190 spectrum 1 weight 0.10000E+01 volume 0.77346E-02 ppm1 3.481 ppm2 1.977 CV 1
OR { 190}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HG3 ))
ASSI { 191}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HB3 ))
3.800 2.100 2.100 peak 191 spectrum 1 weight 0.10000E+01 volume 0.14914E-02 ppm1 3.687 ppm2 2.293 CV 1
ASSI { 194}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HG2 ))
6.000 4.800 0.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.257 ppm2 1.974 CV 1
OR { 194}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HG3 ))
ASSI { 195}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HB2 ))
6.000 4.800 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.484 ppm2 1.890 CV 1
ASSI { 196}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 7 and name HB2 ))
6.000 4.800 0.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.687 ppm2 1.895 CV 1
ASSI { 197}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB2 ))
3.100 1.500 1.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.58225E-02 ppm1 4.254 ppm2 1.893 CV 1
ASSI { 198}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG2 ))
4.100 2.500 1.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.17687E-02 ppm1 5.209 ppm2 2.171 CV 1
ASSI { 200}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB3 ))
6.000 4.800 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.207 ppm2 1.888 CV 1
ASSI { 201}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HG3 ))
3.300 1.700 1.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.77153E-02 ppm1 5.206 ppm2 1.610 CV 1
ASSI { 203}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 17 and name HB2 ))
6.000 4.800 0.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.567 ppm2 1.942 CV 1
ASSI { 207}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HB3 ))
6.000 4.800 0.000 peak 207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.647 ppm2 1.888 CV 1
ASSI { 208}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HB2 ))
6.000 4.800 0.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.649 ppm2 1.941 CV 1
ASSI { 209}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HG2 ))
3.000 1.400 1.400 peak 209 spectrum 1 weight 0.10000E+01 volume 0.89485E-02 ppm1 3.652 ppm2 2.167 CV 1
ASSI { 210}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HD2 ))
4.300 2.600 1.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.10229E-02 ppm1 5.206 ppm2 3.565 CV 1
ASSI { 211}
(( segid " " and resid 6 and name HA2 ))
(( segid " " and resid 6 and name HA1 ))
1.800 0.700 0.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.27725E-01 ppm1 4.649 ppm2 3.946 CV 1
ASSI { 212}
(( segid " " and resid 6 and name HA2 ))
(( segid " " and resid 6 and name HN ))
6.000 4.800 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.646 ppm2 8.828 CV 1
ASSI { 213}
(( segid " " and resid 6 and name HA1 ))
(( segid " " and resid 6 and name HN ))
2.600 1.200 1.200 peak 213 spectrum 1 weight 0.10000E+01 volume 0.91496E-02 ppm1 3.948 ppm2 8.828 CV 1
ASSI { 214}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 30 and name HA1 ))
6.000 4.800 0.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.595 ppm2 3.540 CV 1
ASSI { 215}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 30 and name HN ))
6.000 4.800 0.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.595 ppm2 8.580 CV 1
ASSI { 216}
(( segid " " and resid 30 and name HA1 ))
(( segid " " and resid 30 and name HN ))
2.700 1.200 1.200 peak 216 spectrum 1 weight 0.10000E+01 volume 0.11377E-01 ppm1 3.548 ppm2 8.580 CV 1
ASSI { 217}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HN ))
6.000 4.800 0.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.650 ppm2 8.126 CV 1
ASSI { 218}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HN ))
6.000 4.800 0.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.863 ppm2 8.489 CV 1
ASSI { 219}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HN ))
2.900 1.400 1.400 peak 219 spectrum 1 weight 0.10000E+01 volume 0.57078E-02 ppm1 3.761 ppm2 8.486 CV 1
ASSI { 220}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB3 ))
6.000 4.800 0.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.443 ppm2 3.857 CV 1
ASSI { 221}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB2 ))
6.000 4.800 0.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.443 ppm2 3.748 CV 1
ASSI { 222}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HB2 ))
6.000 4.800 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.860 ppm2 3.752 CV 1
ASSI { 223}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HN ))
6.000 4.800 0.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.364 ppm2 8.612 CV 1
ASSI { 226}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HG1%)
6.000 4.800 0.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.372 ppm2 0.743 CV 1
ASSI { 227}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 33 and name HN ))
6.000 4.800 0.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.830 ppm2 8.633 CV 1
ASSI { 228}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 33 and name HN ))
6.000 4.800 0.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.910 ppm2 8.638 CV 1
ASSI { 229}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 33 and name HN ))
6.000 4.800 0.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.750 ppm2 8.640 CV 1
ASSI { 230}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HN ))
6.000 4.800 0.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.652 ppm2 8.781 CV 1
ASSI { 232}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 44 and name HN ))
2.700 1.200 1.200 peak 232 spectrum 1 weight 0.10000E+01 volume 0.97517E-02 ppm1 0.836 ppm2 8.785 CV 1
ASSI { 233}
( segid " " and resid 44 and name HG1%)
(( segid " " and resid 44 and name HN ))
6.000 4.800 0.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.767 ppm2 8.784 CV 1
ASSI { 236}
(( segid " " and resid 44 and name HA ))
( segid " " and resid 44 and name HG1%)
6.000 4.800 0.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.651 ppm2 0.754 CV 1
ASSI { 237}
(( segid " " and resid 44 and name HA ))
( segid " " and resid 44 and name HG2%)
2.600 1.100 1.100 peak 237 spectrum 1 weight 0.10000E+01 volume 0.99431E-02 ppm1 4.651 ppm2 0.828 CV 1
ASSI { 238}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HB ))
6.000 4.800 0.000 peak 238 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.653 ppm2 1.970 CV 1
ASSI { 239}
( segid " " and resid 33 and name HG2%)
( segid " " and resid 33 and name HG1%)
6.000 4.800 0.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.910 ppm2 0.744 CV 1
ASSI { 240}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 33 and name HG1%)
2.500 1.100 1.100 peak 240 spectrum 1 weight 0.10000E+01 volume 0.10995E-01 ppm1 1.831 ppm2 0.746 CV 1
ASSI { 241}
(( segid " " and resid 33 and name HB ))
( segid " " and resid 33 and name HG2%)
6.000 4.800 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.831 ppm2 0.906 CV 1
ASSI { 242}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HN ))
3.300 1.600 1.600 peak 242 spectrum 1 weight 0.10000E+01 volume 0.65201E-02 ppm1 3.151 ppm2 8.150 CV 1
ASSI { 243}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HN ))
6.000 4.800 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.783 ppm2 8.150 CV 1
ASSI { 244}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HB2 ))
1.700 0.700 0.700 peak 244 spectrum 1 weight 0.10000E+01 volume 0.40058E-01 ppm1 3.150 ppm2 2.780 CV 1
ASSI { 245}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB3 ))
2.500 1.100 1.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.11472E-01 ppm1 4.850 ppm2 3.148 CV 1
ASSI { 246}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB2 ))
6.000 4.800 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.850 ppm2 2.786 CV 1
ASSI { 248}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 52 and name HN ))
6.000 4.800 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.120 ppm2 8.194 CV 1
ASSI { 249}
(( segid " " and resid 52 and name HB ))
( segid " " and resid 52 and name HG2%)
2.800 1.300 1.300 peak 249 spectrum 1 weight 0.10000E+01 volume 0.71131E-02 ppm1 4.131 ppm2 1.110 CV 1
ASSI { 250}
(( segid " " and resid 52 and name HA ))
( segid " " and resid 52 and name HG2%)
6.000 4.800 0.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.318 ppm2 1.114 CV 1
ASSI { 251}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HB ))
6.000 4.800 0.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.325 ppm2 4.124 CV 1
ASSI { 252}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HN ))
6.000 4.800 0.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.830 ppm2 8.634 CV 1
ASSI { 253}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 5 and name HN ))
6.000 4.800 0.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.642 ppm2 8.636 CV 1
ASSI { 254}
(( segid " " and resid 5 and name HG13))
(( segid " " and resid 5 and name HN ))
6.000 4.800 0.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.037 ppm2 8.636 CV 1
ASSI { 255}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 5 and name HN ))
2.500 1.100 1.100 peak 255 spectrum 1 weight 0.10000E+01 volume 0.10229E-01 ppm1 1.958 ppm2 8.630 CV 1
ASSI { 256}
(( segid " " and resid 5 and name HG13))
( segid " " and resid 5 and name HG2%)
6.000 4.800 0.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.035 ppm2 0.634 CV 1
ASSI { 257}
(( segid " " and resid 5 and name HB ))
( segid " " and resid 5 and name HG2%)
6.000 4.800 0.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.963 ppm2 0.634 CV 1
ASSI { 258}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 5 and name HG13))
2.600 1.100 1.100 peak 258 spectrum 1 weight 0.10000E+01 volume 0.70365E-02 ppm1 1.957 ppm2 1.033 CV 1
ASSI { 259}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 5 and name HG2%)
6.000 4.800 0.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.830 ppm2 0.632 CV 1
ASSI { 261}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HB ))
6.000 4.800 0.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.833 ppm2 1.960 CV 1
ASSI { 262}
( segid " " and resid 44 and name HG2%)
( segid " " and resid 44 and name HG1%)
6.000 4.800 0.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.839 ppm2 0.757 CV 1
ASSI { 263}
( segid " " and resid 68 and name HB% )
(( segid " " and resid 68 and name HN ))
6.000 4.800 0.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.359 ppm2 8.388 CV 1
ASSI { 264}
(( segid " " and resid 68 and name HA ))
( segid " " and resid 68 and name HB% )
2.700 1.200 1.200 peak 264 spectrum 1 weight 0.10000E+01 volume 0.83464E-02 ppm1 4.219 ppm2 1.355 CV 1
ASSI { 266}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HN ))
3.100 1.500 1.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.37764E-02 ppm1 4.724 ppm2 8.394 CV 1
ASSI { 267}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HN ))
6.000 4.800 0.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.758 ppm2 8.397 CV 1
ASSI { 268}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HN ))
6.000 4.800 0.000 peak 268 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.843 ppm2 8.397 CV 1
ASSI { 269}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HB2 ))
6.000 4.800 0.000 peak 269 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.843 ppm2 2.757 CV 1
ASSI { 270}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HB2 ))
6.000 4.800 0.000 peak 270 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.726 ppm2 2.756 CV 1
ASSI { 271}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HB3 ))
6.000 4.800 0.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.726 ppm2 2.843 CV 1
ASSI { 274}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 40 and name HB2 ))
6.000 4.800 0.000 peak 274 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.925 ppm2 2.559 CV 1
ASSI { 275}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB3 ))
2.800 1.300 1.300 peak 275 spectrum 1 weight 0.10000E+01 volume 0.84895E-02 ppm1 4.985 ppm2 2.925 CV 1
ASSI { 276}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB2 ))
3.400 1.700 1.700 peak 276 spectrum 1 weight 0.10000E+01 volume 0.21607E-02 ppm1 4.985 ppm2 2.559 CV 1
ASSI { 278}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB2 ))
2.500 1.100 1.100 peak 278 spectrum 1 weight 0.10000E+01 volume 0.16635E-01 ppm1 4.362 ppm2 2.744 CV 1
OR { 278}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB3 ))
ASSI { 279}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HN ))
6.000 4.800 0.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.958 ppm2 8.658 CV 1
ASSI { 280}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HN ))
6.000 4.800 0.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.858 ppm2 8.660 CV 1
ASSI { 281}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB ))
6.000 4.800 0.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.615 ppm2 3.859 CV 1
ASSI { 282}
(( segid " " and resid 4 and name HA ))
( segid " " and resid 4 and name HG2%)
2.600 1.100 1.100 peak 282 spectrum 1 weight 0.10000E+01 volume 0.10134E-01 ppm1 4.615 ppm2 0.953 CV 1
ASSI { 283}
(( segid " " and resid 4 and name HB ))
( segid " " and resid 4 and name HG2%)
2.500 1.100 1.100 peak 283 spectrum 1 weight 0.10000E+01 volume 0.13958E-01 ppm1 3.858 ppm2 0.954 CV 1
ASSI { 286}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB ))
2.900 1.300 1.300 peak 286 spectrum 1 weight 0.10000E+01 volume 0.52488E-02 ppm1 3.361 ppm2 1.728 CV 1
ASSI { 287}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 36 and name HG12))
6.000 4.800 0.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.807 ppm2 0.738 CV 1
ASSI { 288}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
6.000 4.800 0.000 peak 288 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.630 ppm2 8.567 CV 1
ASSI { 290}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HN ))
6.000 4.800 0.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.009 ppm2 8.565 CV 1
ASSI { 292}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HN ))
3.900 2.200 2.100 peak 292 spectrum 1 weight 0.10000E+01 volume 0.24475E-02 ppm1 2.957 ppm2 8.554 CV 1
ASSI { 293}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB3 ))
2.600 1.100 1.100 peak 293 spectrum 1 weight 0.10000E+01 volume 0.78970E-02 ppm1 4.896 ppm2 2.954 CV 1
ASSI { 294}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HN ))
6.000 4.800 0.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.741 ppm2 8.654 CV 1
OR { 294}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HN ))
ASSI { 296}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HN ))
6.000 4.800 0.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.366 ppm2 8.655 CV 1
ASSI { 297}
(( segid " " and resid 16 and name HE3 ))
(( segid " " and resid 16 and name HB2 ))
6.000 4.800 0.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.909 ppm2 1.746 CV 1
OR { 297}
(( segid " " and resid 16 and name HE3 ))
(( segid " " and resid 16 and name HB3 ))
OR { 297}
(( segid " " and resid 16 and name HE2 ))
(( segid " " and resid 16 and name HB2 ))
OR { 297}
(( segid " " and resid 16 and name HE2 ))
(( segid " " and resid 16 and name HB3 ))
ASSI { 299}
(( segid " " and resid 16 and name HE2 ))
(( segid " " and resid 16 and name HD2 ))
2.700 1.200 1.200 peak 299 spectrum 1 weight 0.10000E+01 volume 0.75624E-02 ppm1 2.907 ppm2 1.573 CV 1
OR { 299}
(( segid " " and resid 16 and name HE3 ))
(( segid " " and resid 16 and name HD3 ))
OR { 299}
(( segid " " and resid 16 and name HE2 ))
(( segid " " and resid 16 and name HD3 ))
OR { 299}
(( segid " " and resid 16 and name HE3 ))
(( segid " " and resid 16 and name HD2 ))
ASSI { 301}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HN ))
6.000 4.800 0.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.722 ppm2 8.361 CV 1
ASSI { 302}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 32 and name HN ))
3.300 1.700 1.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.50960E-02 ppm1 2.182 ppm2 8.360 CV 1
ASSI { 304}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 32 and name HN ))
2.900 1.300 1.300 peak 304 spectrum 1 weight 0.10000E+01 volume 0.10708E-01 ppm1 0.897 ppm2 8.361 CV 1
ASSI { 305}
(( segid " " and resid 32 and name HB ))
( segid " " and resid 32 and name HG2%)
2.200 0.900 0.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.21511E-01 ppm1 2.176 ppm2 0.980 CV 1
ASSI { 306}
(( segid " " and resid 32 and name HB ))
( segid " " and resid 32 and name HG1%)
2.300 0.900 0.900 peak 306 spectrum 1 weight 0.10000E+01 volume 0.20077E-01 ppm1 2.174 ppm2 0.889 CV 1
ASSI { 307}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HG2%)
3.900 2.200 2.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.19217E-02 ppm1 4.725 ppm2 0.980 CV 1
ASSI { 308}
(( segid " " and resid 67 and name HB ))
( segid " " and resid 67 and name HG1%)
2.900 1.300 1.300 peak 308 spectrum 1 weight 0.10000E+01 volume 0.47229E-02 ppm1 2.060 ppm2 0.640 CV 1
ASSI { 309}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 67 and name HG1%)
3.400 1.700 1.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.24762E-02 ppm1 4.248 ppm2 0.645 CV 1
ASSI { 311}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 53 and name HN ))
6.000 4.800 0.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.824 ppm2 8.363 CV 1
ASSI { 312}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HN ))
6.000 4.800 0.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.711 ppm2 8.364 CV 1
ASSI { 313}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HN ))
3.500 1.900 1.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.41110E-02 ppm1 2.863 ppm2 8.536 CV 1
ASSI { 314}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 50 and name HN ))
6.000 4.800 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.782 ppm2 8.307 CV 1
ASSI { 315}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 50 and name HN ))
6.000 4.800 0.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.701 ppm2 8.306 CV 1
ASSI { 317}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HN ))
6.000 4.800 0.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.594 ppm2 8.538 CV 1
ASSI { 318}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB2 ))
6.000 4.800 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.457 ppm2 3.791 CV 1
OR { 318}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 22 and name HB3 ))
ASSI { 319}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HB2 ))
6.000 4.800 0.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.864 ppm2 2.590 CV 1
ASSI { 320}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HB2 ))
6.000 4.800 0.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.421 ppm2 1.846 CV 1
OR { 320}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 321}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
6.000 4.800 0.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.632 ppm2 1.847 CV 1
ASSI { 322}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB2 ))
6.000 4.800 0.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.847 ppm2 2.592 CV 1
ASSI { 323}
(( segid " " and resid 64 and name HA ))
( segid " " and resid 64 and name HB% )
2.300 1.000 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.22563E-01 ppm1 4.207 ppm2 1.313 CV 1
ASSI { 325}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HG2 ))
6.000 4.800 0.000 peak 325 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.634 ppm2 1.352 CV 1
ASSI { 326}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HG2 ))
3.000 1.400 1.400 peak 326 spectrum 1 weight 0.10000E+01 volume 0.40728E-02 ppm1 1.741 ppm2 1.351 CV 1
OR { 326}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HG2 ))
ASSI { 328}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
6.000 4.800 0.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.794 ppm2 1.746 CV 1
OR { 328}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB3 ))
ASSI { 329}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG3 ))
6.000 4.800 0.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.792 ppm2 1.635 CV 1
ASSI { 330}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HD3 ))
6.000 4.800 0.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.794 ppm2 1.573 CV 1
OR { 330}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HD2 ))
ASSI { 331}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG2 ))
6.000 4.800 0.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.794 ppm2 1.354 CV 1
ASSI { 332}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HE3 ))
6.000 4.800 0.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.798 ppm2 2.900 CV 1
OR { 332}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HE2 ))
ASSI { 333}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HG2 ))
6.000 4.800 0.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.574 ppm2 1.354 CV 1
OR { 333}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HG2 ))
ASSI { 334}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HD3 ))
6.000 4.800 0.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.744 ppm2 1.576 CV 1
OR { 334}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HD2 ))
OR { 334}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HD3 ))
OR { 334}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HD2 ))
ASSI { 335}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HG3 ))
6.000 4.800 0.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.743 ppm2 1.635 CV 1
OR { 335}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HG3 ))
ASSI { 336}
(( segid " " and resid 16 and name HE2 ))
(( segid " " and resid 16 and name HN ))
6.000 4.800 0.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.914 ppm2 8.657 CV 1
OR { 336}
(( segid " " and resid 16 and name HE3 ))
(( segid " " and resid 16 and name HN ))
ASSI { 337}
(( segid " " and resid 48 and name HE2 ))
(( segid " " and resid 48 and name HN ))
6.000 4.800 0.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.815 ppm2 8.226 CV 1
ASSI { 338}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HE2 ))
6.000 4.800 0.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.022 ppm2 2.813 CV 1
ASSI { 339}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 64 and name HN ))
6.000 4.800 0.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.321 ppm2 8.350 CV 1
ASSI { 341}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 34 and name HN ))
2.100 0.900 0.900 peak 341 spectrum 1 weight 0.10000E+01 volume 0.20650E-01 ppm1 3.369 ppm2 8.086 CV 1
ASSI { 342}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 34 and name HN ))
4.500 2.800 1.500 peak 342 spectrum 1 weight 0.10000E+01 volume 0.77823E-03 ppm1 1.833 ppm2 8.087 CV 1
ASSI { 343}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 34 and name HN ))
3.900 2.200 2.100 peak 343 spectrum 1 weight 0.10000E+01 volume 0.20746E-02 ppm1 0.905 ppm2 8.086 CV 1
ASSI { 344}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 34 and name HN ))
2.900 1.400 1.400 peak 344 spectrum 1 weight 0.10000E+01 volume 0.67019E-02 ppm1 0.750 ppm2 8.087 CV 1
ASSI { 345}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 34 and name HN ))
5.500 4.000 0.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.51625E-03 ppm1 8.637 ppm2 8.087 CV 1
ASSI { 346}
(( segid " " and resid 34 and name HA1 ))
(( segid " " and resid 35 and name HN ))
6.000 4.800 0.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.737 ppm2 7.783 CV 1
ASSI { 348}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HN ))
4.700 3.000 1.300 peak 348 spectrum 1 weight 0.10000E+01 volume 0.11281E-02 ppm1 7.785 ppm2 8.086 CV 1
ASSI { 349}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HG2 ))
6.000 4.800 0.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.821 ppm2 1.178 CV 1
ASSI { 350}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HD2 ))
6.000 4.800 0.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.821 ppm2 1.459 CV 1
ASSI { 351}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HD3 ))
6.000 4.800 0.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.821 ppm2 1.632 CV 1
ASSI { 352}
(( segid " " and resid 45 and name HD2 ))
(( segid " " and resid 45 and name HD3 ))
6.000 4.800 0.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.465 ppm2 1.632 CV 1
ASSI { 353}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 45 and name HN ))
6.000 4.800 0.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.783 ppm2 9.017 CV 1
ASSI { 354}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HN ))
4.400 2.700 1.600 peak 354 spectrum 1 weight 0.10000E+01 volume 0.85185E-03 ppm1 8.943 ppm2 9.513 CV 1
ASSI { 355}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HB3 ))
6.000 4.800 0.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.846 ppm2 2.866 CV 1
ASSI { 356}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 49 and name HN ))
6.000 4.800 0.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.727 ppm2 8.374 CV 1
ASSI { 357}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 49 and name HB2 ))
6.000 4.800 0.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.727 ppm2 2.569 CV 1
ASSI { 358}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB3 ))
6.000 4.800 0.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.568 ppm2 2.726 CV 1
ASSI { 359}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HB2 ))
6.000 4.800 0.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.571 ppm2 2.569 CV 1
ASSI { 360}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
2.300 1.000 1.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.19025E-01 ppm1 5.598 ppm2 8.898 CV 1
ASSI { 361}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 21 and name HN ))
6.000 4.800 0.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.710 ppm2 8.898 CV 1
ASSI { 362}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 21 and name HN ))
6.000 4.800 0.000 peak 362 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.831 ppm2 8.900 CV 1
ASSI { 363}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HN ))
6.000 4.800 0.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.906 ppm2 8.528 CV 1
ASSI { 364}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
6.000 4.800 0.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.620 ppm2 8.530 CV 1
ASSI { 366}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 22 and name HN ))
6.000 4.800 0.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.998 ppm2 8.530 CV 1
ASSI { 367}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB3 ))
6.000 4.800 0.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.632 ppm2 2.009 CV 1
ASSI { 368}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HB3 ))
6.000 4.800 0.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.421 ppm2 2.008 CV 1
OR { 368}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HB3 ))
ASSI { 369}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HB2 ))
6.000 4.800 0.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.009 ppm2 1.845 CV 1
ASSI { 370}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
6.000 4.800 0.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.462 ppm2 8.566 CV 1
ASSI { 371}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 24 and name HN ))
6.000 4.800 0.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.776 ppm2 8.533 CV 1
OR { 371}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 24 and name HN ))
ASSI { 372}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 45 and name HN ))
6.000 4.800 0.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.652 ppm2 9.017 CV 1
ASSI { 373}
(( segid " " and resid 44 and name HB ))
(( segid " " and resid 45 and name HN ))
6.000 4.800 0.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.969 ppm2 9.019 CV 1
ASSI { 374}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 45 and name HN ))
6.000 4.800 0.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.836 ppm2 9.017 CV 1
ASSI { 377}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 46 and name HN ))
6.000 4.800 0.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.820 ppm2 8.943 CV 1
ASSI { 378}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 47 and name HN ))
6.000 4.800 0.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.736 ppm2 9.515 CV 1
ASSI { 379}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 47 and name HN ))
4.000 2.300 2.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.17687E-02 ppm1 2.867 ppm2 9.515 CV 1
ASSI { 380}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 47 and name HN ))
2.200 0.900 0.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.21320E-01 ppm1 5.499 ppm2 9.513 CV 1
ASSI { 381}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 48 and name HN ))
2.300 0.900 0.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.16444E-01 ppm1 5.679 ppm2 8.224 CV 1
ASSI { 382}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 48 and name HN ))
2.900 1.400 1.400 peak 382 spectrum 1 weight 0.10000E+01 volume 0.37764E-02 ppm1 2.983 ppm2 8.226 CV 1
ASSI { 383}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 48 and name HN ))
3.300 1.600 1.600 peak 383 spectrum 1 weight 0.10000E+01 volume 0.74091E-02 ppm1 2.573 ppm2 8.224 CV 1
ASSI { 384}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
2.200 0.900 0.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.24284E-01 ppm1 5.359 ppm2 9.838 CV 1
ASSI { 385}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HN ))
3.300 1.700 1.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.26865E-02 ppm1 9.012 ppm2 9.834 CV 1
ASSI { 386}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 19 and name HN ))
6.000 4.800 0.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.656 ppm2 9.002 CV 1
ASSI { 387}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 19 and name HN ))
6.000 4.800 0.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.573 ppm2 9.005 CV 1
ASSI { 388}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
3.200 1.600 1.600 peak 388 spectrum 1 weight 0.10000E+01 volume 0.55260E-02 ppm1 9.008 ppm2 9.472 CV 1
ASSI { 389}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 10 and name HN ))
6.000 4.800 0.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.596 ppm2 8.556 CV 1
ASSI { 390}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
6.000 4.800 0.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.901 ppm2 2.595 CV 1
ASSI { 391}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 10 and name HB2 ))
6.000 4.800 0.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.959 ppm2 2.595 CV 1
ASSI { 392}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HN ))
2.400 1.000 1.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.15010E-01 ppm1 4.898 ppm2 8.485 CV 1
ASSI { 393}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 11 and name HN ))
3.200 1.600 1.600 peak 393 spectrum 1 weight 0.10000E+01 volume 0.23519E-02 ppm1 2.957 ppm2 8.485 CV 1
ASSI { 394}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 11 and name HN ))
6.000 4.800 0.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.596 ppm2 8.487 CV 1
ASSI { 395}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HN ))
6.000 4.800 0.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.764 ppm2 7.388 CV 1
ASSI { 396}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 12 and name HN ))
6.000 4.800 0.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.866 ppm2 7.388 CV 1
ASSI { 397}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HN ))
3.000 1.400 1.400 peak 397 spectrum 1 weight 0.10000E+01 volume 0.44839E-02 ppm1 4.440 ppm2 7.390 CV 1
ASSI { 398}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HN ))
2.500 1.100 1.100 peak 398 spectrum 1 weight 0.10000E+01 volume 0.96563E-02 ppm1 7.394 ppm2 8.486 CV 1
ASSI { 399}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 12 and name HN ))
6.000 4.800 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.850 ppm2 7.390 CV 1
ASSI { 400}
( segid " " and resid 12 and name HG2%)
( segid " " and resid 12 and name HD1%)
6.000 4.800 0.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.802 ppm2 0.456 CV 1
ASSI { 401}
(( segid " " and resid 12 and name HB ))
( segid " " and resid 12 and name HD1%)
6.000 4.800 0.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.267 ppm2 0.456 CV 1
ASSI { 402}
(( segid " " and resid 12 and name HG13))
( segid " " and resid 12 and name HG2%)
6.000 4.800 0.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.241 ppm2 0.796 CV 1
ASSI { 403}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 12 and name HG12))
6.000 4.800 0.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.267 ppm2 0.845 CV 1
ASSI { 404}
(( segid " " and resid 12 and name HB ))
( segid " " and resid 12 and name HG2%)
6.000 4.800 0.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.267 ppm2 0.796 CV 1
ASSI { 405}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 12 and name HG2%)
2.700 1.200 1.200 peak 405 spectrum 1 weight 0.10000E+01 volume 0.78016E-02 ppm1 4.127 ppm2 0.793 CV 1
ASSI { 406}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG13))
6.000 4.800 0.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.130 ppm2 1.243 CV 1
ASSI { 407}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 13 and name HN ))
6.000 5.600 0.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.23901E-03 ppm1 0.459 ppm2 8.692 CV 1
ASSI { 408}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 13 and name HN ))
2.900 1.400 1.400 peak 408 spectrum 1 weight 0.10000E+01 volume 0.89582E-02 ppm1 0.802 ppm2 8.693 CV 1
ASSI { 409}
(( segid " " and resid 12 and name HG12))
(( segid " " and resid 13 and name HN ))
6.000 4.800 0.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.852 ppm2 8.690 CV 1
ASSI { 410}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 13 and name HN ))
6.000 4.800 0.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.237 ppm2 8.688 CV 1
ASSI { 411}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 13 and name HN ))
6.000 4.800 0.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.267 ppm2 8.688 CV 1
ASSI { 413}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HN ))
4.000 2.300 2.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.72182E-03 ppm1 7.395 ppm2 8.693 CV 1
ASSI { 414}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 66 and name HN ))
2.900 1.400 1.400 peak 414 spectrum 1 weight 0.10000E+01 volume 0.64531E-02 ppm1 4.848 ppm2 7.697 CV 1
ASSI { 416}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 66 and name HN ))
6.000 4.800 0.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.783 ppm2 7.696 CV 1
ASSI { 418}
(( segid " " and resid 66 and name HB2 ))
(( segid " " and resid 67 and name HN ))
6.000 4.800 0.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.873 ppm2 8.740 CV 1
ASSI { 424}
( segid " " and resid 67 and name HG1%)
(( segid " " and resid 68 and name HN ))
3.700 2.000 2.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.30307E-02 ppm1 0.652 ppm2 8.387 CV 1
ASSI { 425}
( segid " " and resid 67 and name HG2%)
(( segid " " and resid 68 and name HN ))
6.000 4.800 0.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.801 ppm2 8.387 CV 1
ASSI { 428}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HN ))
6.000 4.800 0.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.388 ppm2 8.743 CV 1
ASSI { 429}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 39 and name HN ))
6.000 4.800 0.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.495 ppm2 8.426 CV 1
ASSI { 431}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 40 and name HN ))
6.000 4.800 0.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.160 ppm2 8.972 CV 1
ASSI { 432}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 40 and name HN ))
6.000 4.800 0.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.820 ppm2 8.972 CV 1
ASSI { 433}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 40 and name HN ))
6.000 4.800 0.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.706 ppm2 8.972 CV 1
ASSI { 434}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 41 and name HN ))
4.200 2.500 1.800 peak 434 spectrum 1 weight 0.10000E+01 volume 0.16348E-02 ppm1 2.566 ppm2 9.373 CV 1
ASSI { 435}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 41 and name HN ))
3.400 1.800 1.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.15679E-02 ppm1 2.926 ppm2 9.373 CV 1
ASSI { 436}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HN ))
2.200 0.900 0.900 peak 436 spectrum 1 weight 0.10000E+01 volume 0.26769E-01 ppm1 4.988 ppm2 9.373 CV 1
ASSI { 437}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 41 and name HN ))
4.300 2.600 1.700 peak 437 spectrum 1 weight 0.10000E+01 volume 0.13671E-02 ppm1 8.975 ppm2 9.373 CV 1
ASSI { 439}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HN ))
2.100 0.800 0.800 peak 439 spectrum 1 weight 0.10000E+01 volume 0.28012E-01 ppm1 5.207 ppm2 9.472 CV 1
ASSI { 440}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HG3 ))
6.000 4.800 0.000 peak 440 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.884 ppm2 1.611 CV 1
ASSI { 441}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HG3 ))
6.000 4.800 0.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.939 ppm2 1.609 CV 1
ASSI { 442}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB3 ))
6.000 4.800 0.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.172 ppm2 1.888 CV 1
ASSI { 443}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB2 ))
6.000 4.800 0.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.169 ppm2 1.935 CV 1
ASSI { 444}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 17 and name HD2 ))
6.000 4.800 0.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.648 ppm2 3.563 CV 1
ASSI { 445}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HD3 ))
6.000 4.800 0.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.209 ppm2 3.646 CV 1
ASSI { 446}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HB3 ))
6.000 4.800 0.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.941 ppm2 1.888 CV 1
ASSI { 448}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 18 and name HN ))
3.200 1.600 1.600 peak 448 spectrum 1 weight 0.10000E+01 volume 0.34991E-02 ppm1 1.939 ppm2 9.475 CV 1
ASSI { 450}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 16 and name HB3 ))
3.700 2.000 2.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.62048E-02 ppm1 3.648 ppm2 1.741 CV 1
OR { 450}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 16 and name HB2 ))
ASSI { 451}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 16 and name HG3 ))
6.000 4.800 0.000 peak 451 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.569 ppm2 1.634 CV 1
ASSI { 452}
(( segid " " and resid 17 and name HD3 ))
(( segid " " and resid 16 and name HG3 ))
6.000 4.800 0.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.650 ppm2 1.634 CV 1
ASSI { 453}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 8 and name HN ))
6.000 4.800 0.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.889 ppm2 8.535 CV 1
ASSI { 454}
(( segid " " and resid 7 and name HG3 ))
(( segid " " and resid 8 and name HN ))
6.000 4.800 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.972 ppm2 8.535 CV 1
OR { 454}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 8 and name HN ))
ASSI { 455}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 8 and name HN ))
4.100 2.400 1.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.17305E-02 ppm1 2.290 ppm2 8.537 CV 1
ASSI { 456}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 8 and name HN ))
4.100 2.400 1.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.57265E-03 ppm1 3.484 ppm2 8.537 CV 1
ASSI { 457}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 8 and name HN ))
3.300 1.700 1.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.42449E-02 ppm1 3.685 ppm2 8.533 CV 1
ASSI { 458}
(( segid " " and resid 7 and name HG3 ))
(( segid " " and resid 7 and name HB2 ))
6.000 4.800 0.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.975 ppm2 1.890 CV 1
OR { 458}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 7 and name HB2 ))
ASSI { 459}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HG2 ))
3.900 2.200 2.100 peak 459 spectrum 1 weight 0.10000E+01 volume 0.67496E-03 ppm1 2.293 ppm2 1.973 CV 1
OR { 459}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HG3 ))
ASSI { 460}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HN ))
6.000 4.800 0.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.558 ppm2 8.535 CV 1
ASSI { 461}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 9 and name HN ))
6.000 4.800 0.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.594 ppm2 7.557 CV 1
ASSI { 462}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 9 and name HN ))
6.000 4.800 0.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.864 ppm2 7.557 CV 1
ASSI { 463}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
3.200 1.600 1.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.35756E-02 ppm1 4.848 ppm2 7.557 CV 1
ASSI { 464}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
6.000 4.800 0.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.558 ppm2 8.551 CV 1
ASSI { 465}
(( segid " " and resid 9 and name HB ))
(( segid " " and resid 9 and name HA ))
6.000 4.800 0.000 peak 465 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.918 ppm2 3.758 CV 1
ASSI { 466}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
6.000 4.800 0.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.761 ppm2 8.551 CV 1
ASSI { 467}
(( segid " " and resid 9 and name HB ))
(( segid " " and resid 10 and name HN ))
2.500 1.100 1.100 peak 467 spectrum 1 weight 0.10000E+01 volume 0.10516E-01 ppm1 3.918 ppm2 8.551 CV 1
ASSI { 468}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 10 and name HN ))
6.000 4.800 0.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.215 ppm2 8.551 CV 1
ASSI { 469}
(( segid " " and resid 25 and name HA2 ))
(( segid " " and resid 25 and name HA1 ))
6.000 4.800 0.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.030 ppm2 3.749 CV 1
ASSI { 470}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HD21))
3.500 1.800 1.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.18165E-02 ppm1 2.595 ppm2 7.507 CV 1
ASSI { 471}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HD21))
6.000 4.800 0.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.862 ppm2 7.505 CV 1
ASSI { 472}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HD22))
4.700 3.000 1.300 peak 472 spectrum 1 weight 0.10000E+01 volume 0.10803E-02 ppm1 2.594 ppm2 6.852 CV 1
ASSI { 473}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HD22))
6.000 4.800 0.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.862 ppm2 6.852 CV 1
ASSI { 474}
(( segid " " and resid 45 and name HE3 ))
( segid " " and resid 45 and name HZ% )
6.000 4.800 0.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.823 ppm2 7.581 CV 1
ASSI { 475}
(( segid " " and resid 45 and name HE2 ))
( segid " " and resid 45 and name HZ% )
6.000 4.800 0.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.628 ppm2 7.579 CV 1
ASSI { 476}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HD22))
4.700 3.000 1.300 peak 476 spectrum 1 weight 0.10000E+01 volume 0.11759E-02 ppm1 3.151 ppm2 7.026 CV 1
ASSI { 478}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HD22))
6.000 4.800 0.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.786 ppm2 7.023 CV 1
ASSI { 479}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 65 and name HD21))
6.000 4.800 0.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.784 ppm2 7.365 CV 1
ASSI { 480}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HD22))
6.000 4.800 0.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.848 ppm2 7.023 CV 1
ASSI { 481}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HD21))
6.000 4.800 0.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.848 ppm2 7.365 CV 1
ASSI { 482}
(( segid " " and resid 65 and name HD22))
(( segid " " and resid 65 and name HD21))
1.600 0.600 0.600 peak 482 spectrum 1 weight 0.10000E+01 volume 0.79448E-01 ppm1 7.029 ppm2 7.366 CV 1
ASSI { 483}
(( segid " " and resid 16 and name HE2 ))
( segid " " and resid 16 and name HZ% )
3.500 1.800 1.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.14436E-02 ppm1 2.909 ppm2 7.449 CV 1
OR { 483}
(( segid " " and resid 16 and name HE3 ))
( segid " " and resid 16 and name HZ% )
ASSI { 485}
(( segid " " and resid 58 and name HA1 ))
(( segid " " and resid 58 and name HN ))
6.000 4.800 0.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.918 ppm2 8.142 CV 1
ASSI { 486}
(( segid " " and resid 58 and name HA2 ))
(( segid " " and resid 58 and name HA1 ))
6.000 4.800 0.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.005 ppm2 3.907 CV 1
ASSI { 487}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 3 and name HN ))
6.000 4.800 0.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.932 ppm2 8.143 CV 1
ASSI { 488}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB ))
3.600 2.000 2.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.13194E-02 ppm1 4.396 ppm2 3.932 CV 1
ASSI { 489}
(( segid " " and resid 3 and name HB ))
( segid " " and resid 3 and name HG2%)
2.500 1.100 1.100 peak 489 spectrum 1 weight 0.10000E+01 volume 0.12238E-01 ppm1 3.937 ppm2 1.124 CV 1
ASSI { 491}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HN ))
6.000 4.800 0.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.575 ppm2 8.654 CV 1
OR { 491}
(( segid " " and resid 16 and name HD2 ))
(( segid " " and resid 16 and name HN ))
ASSI { 492}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HD2 ))
6.000 4.800 0.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.633 ppm2 1.572 CV 1
OR { 492}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HD3 ))
ASSI { 493}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 43 and name HN ))
2.600 1.200 1.200 peak 493 spectrum 1 weight 0.10000E+01 volume 0.11664E-01 ppm1 3.692 ppm2 8.323 CV 1
OR { 493}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HN ))
ASSI { 494}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HN ))
6.000 4.800 0.000 peak 494 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.733 ppm2 8.606 CV 1
ASSI { 495}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HN ))
6.000 4.800 0.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.618 ppm2 8.605 CV 1
ASSI { 496}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HN ))
6.000 4.800 0.000 peak 496 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.676 ppm2 8.603 CV 1
ASSI { 497}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB3 ))
6.000 4.800 0.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.616 ppm2 2.732 CV 1
ASSI { 498}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB2 ))
6.000 4.800 0.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.618 ppm2 2.678 CV 1
ASSI { 499}
(( segid " " and resid 48 and name HE2 ))
( segid " " and resid 48 and name HZ% )
3.900 2.200 2.100 peak 499 spectrum 1 weight 0.10000E+01 volume 0.71705E-03 ppm1 2.816 ppm2 7.447 CV 1
ASSI { 500}
(( segid " " and resid 59 and name HG ))
(( segid " " and resid 59 and name HN ))
3.000 1.500 1.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.52391E-02 ppm1 1.474 ppm2 8.459 CV 1
ASSI { 501}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 59 and name HN ))
6.000 4.800 0.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.774 ppm2 8.459 CV 1
ASSI { 502}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 59 and name HN ))
6.000 4.800 0.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.746 ppm2 8.459 CV 1
ASSI { 503}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HN ))
6.000 4.800 0.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.379 ppm2 8.459 CV 1
ASSI { 504}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 59 and name HN ))
6.000 4.800 0.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.406 ppm2 8.460 CV 1
ASSI { 505}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HN ))
6.000 4.800 0.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.686 ppm2 9.015 CV 1
OR { 505}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HN ))
ASSI { 506}
(( segid " " and resid 45 and name HD2 ))
(( segid " " and resid 45 and name HN ))
6.000 4.800 0.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.465 ppm2 9.017 CV 1
ASSI { 507}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 45 and name HN ))
6.000 4.800 0.000 peak 507 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.633 ppm2 9.017 CV 1
ASSI { 508}
(( segid " " and resid 45 and name HD3 ))
(( segid " " and resid 45 and name HN ))
6.000 4.800 0.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.631 ppm2 9.015 CV 1
ASSI { 509}
(( segid " " and resid 45 and name HG3 ))
(( segid " " and resid 45 and name HN ))
6.000 4.800 0.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.217 ppm2 9.017 CV 1
ASSI { 510}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 45 and name HN ))
6.000 4.800 0.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.178 ppm2 9.017 CV 1
ASSI { 511}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 45 and name HN ))
6.000 4.800 0.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.823 ppm2 9.017 CV 1
ASSI { 512}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 45 and name HE2 ))
6.000 4.800 0.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.825 ppm2 2.622 CV 1
ASSI { 513}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 45 and name HB2 ))
6.000 4.800 0.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.825 ppm2 1.690 CV 1
OR { 513}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 45 and name HB3 ))
ASSI { 514}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 45 and name HD3 ))
6.000 4.800 0.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.825 ppm2 1.633 CV 1
ASSI { 515}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 45 and name HD2 ))
6.000 4.800 0.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.823 ppm2 1.459 CV 1
ASSI { 516}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 45 and name HG3 ))
6.000 4.800 0.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.820 ppm2 1.216 CV 1
ASSI { 518}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 45 and name HD3 ))
6.000 4.800 0.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.632 ppm2 1.632 CV 1
ASSI { 519}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 45 and name HD2 ))
3.100 1.500 1.500 peak 519 spectrum 1 weight 0.10000E+01 volume 0.52681E-02 ppm1 2.629 ppm2 1.459 CV 1
ASSI { 520}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 45 and name HG2 ))
6.000 4.800 0.000 peak 520 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.632 ppm2 1.179 CV 1
ASSI { 521}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 45 and name HB2 ))
6.000 4.800 0.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.635 ppm2 1.687 CV 1
OR { 521}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 45 and name HB3 ))
ASSI { 522}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 45 and name HG3 ))
6.000 4.800 0.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.633 ppm2 1.219 CV 1
ASSI { 523}
(( segid " " and resid 45 and name HG3 ))
(( segid " " and resid 45 and name HG2 ))
6.000 4.800 0.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.219 ppm2 1.179 CV 1
ASSI { 524}
(( segid " " and resid 45 and name HD2 ))
(( segid " " and resid 45 and name HG2 ))
6.000 4.800 0.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.465 ppm2 1.182 CV 1
ASSI { 525}
(( segid " " and resid 45 and name HD2 ))
(( segid " " and resid 45 and name HG3 ))
6.000 4.800 0.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.465 ppm2 1.216 CV 1
ASSI { 526}
(( segid " " and resid 45 and name HD3 ))
(( segid " " and resid 45 and name HG2 ))
6.000 4.800 0.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.632 ppm2 1.179 CV 1
ASSI { 527}
(( segid " " and resid 45 and name HD3 ))
(( segid " " and resid 45 and name HG3 ))
6.000 4.800 0.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.634 ppm2 1.216 CV 1
ASSI { 528}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HG3 ))
6.000 4.800 0.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.687 ppm2 1.216 CV 1
OR { 528}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HG3 ))
ASSI { 529}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HG2 ))
6.000 4.800 0.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.687 ppm2 1.179 CV 1
OR { 529}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HG2 ))
ASSI { 530}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HD2 ))
6.000 4.800 0.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.687 ppm2 1.459 CV 1
OR { 530}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HD2 ))
ASSI { 532}
(( segid " " and resid 45 and name HB2 ))
(( segid " " and resid 45 and name HD3 ))
6.000 4.800 0.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.687 ppm2 1.633 CV 1
OR { 532}
(( segid " " and resid 45 and name HB3 ))
(( segid " " and resid 45 and name HD3 ))
ASSI { 533}
(( segid " " and resid 45 and name HB2 ))
( segid " " and resid 45 and name HZ% )
6.000 4.800 0.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.687 ppm2 7.579 CV 1
OR { 533}
(( segid " " and resid 45 and name HB3 ))
( segid " " and resid 45 and name HZ% )
ASSI { 534}
(( segid " " and resid 45 and name HD3 ))
( segid " " and resid 45 and name HZ% )
6.000 4.800 0.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.630 ppm2 7.579 CV 1
ASSI { 535}
(( segid " " and resid 45 and name HD2 ))
( segid " " and resid 45 and name HZ% )
4.000 2.300 2.000 peak 535 spectrum 1 weight 0.10000E+01 volume 0.89582E-03 ppm1 1.467 ppm2 7.572 CV 1
ASSI { 536}
(( segid " " and resid 45 and name HG3 ))
( segid " " and resid 45 and name HZ% )
6.000 4.800 0.000 peak 536 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.220 ppm2 7.579 CV 1
ASSI { 537}
(( segid " " and resid 45 and name HG2 ))
( segid " " and resid 45 and name HZ% )
6.000 4.800 0.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.180 ppm2 7.579 CV 1
ASSI { 538}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 46 and name HN ))
6.000 4.800 0.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.182 ppm2 8.943 CV 1
ASSI { 539}
(( segid " " and resid 45 and name HG3 ))
(( segid " " and resid 46 and name HN ))
6.000 4.800 0.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.218 ppm2 8.943 CV 1
ASSI { 540}
(( segid " " and resid 45 and name HD3 ))
(( segid " " and resid 46 and name HN ))
6.000 4.800 0.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.635 ppm2 8.943 CV 1
ASSI { 541}
(( segid " " and resid 45 and name HD2 ))
(( segid " " and resid 46 and name HN ))
5.000 3.500 1.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.72086E-03 ppm1 1.464 ppm2 8.937 CV 1
ASSI { 542}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 46 and name HN ))
6.000 4.800 0.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.630 ppm2 8.945 CV 1
ASSI { 543}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 46 and name HN ))
6.000 4.800 0.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.824 ppm2 8.943 CV 1
ASSI { 545}
(( segid " " and resid 36 and name HG12))
(( segid " " and resid 36 and name HN ))
6.000 4.800 0.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.742 ppm2 8.618 CV 1
ASSI { 546}
(( segid " " and resid 36 and name HG13))
(( segid " " and resid 36 and name HN ))
6.000 4.800 0.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.991 ppm2 8.613 CV 1
ASSI { 547}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 36 and name HN ))
2.800 1.300 1.300 peak 547 spectrum 1 weight 0.10000E+01 volume 0.67592E-02 ppm1 1.506 ppm2 8.613 CV 1
ASSI { 548}
(( segid " " and resid 36 and name HG12))
(( segid " " and resid 36 and name HA ))
6.000 4.800 0.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.744 ppm2 3.358 CV 1
ASSI { 550}
(( segid " " and resid 36 and name HG13))
(( segid " " and resid 36 and name HA ))
2.800 1.200 1.200 peak 550 spectrum 1 weight 0.10000E+01 volume 0.36999E-02 ppm1 0.991 ppm2 3.358 CV 1
ASSI { 551}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 36 and name HA ))
3.700 2.000 2.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.60327E-02 ppm1 1.509 ppm2 3.358 CV 1
ASSI { 553}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 36 and name HB ))
6.000 4.800 0.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.506 ppm2 1.737 CV 1
ASSI { 554}
(( segid " " and resid 36 and name HG13))
(( segid " " and resid 36 and name HB ))
3.200 1.600 1.600 peak 554 spectrum 1 weight 0.10000E+01 volume 0.30402E-02 ppm1 0.991 ppm2 1.737 CV 1
ASSI { 555}
(( segid " " and resid 36 and name HG13))
( segid " " and resid 36 and name HD1%)
1.900 0.800 0.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.42736E-01 ppm1 0.991 ppm2 1.503 CV 1
ASSI { 556}
( segid " " and resid 36 and name HG2%)
( segid " " and resid 36 and name HD1%)
6.000 4.800 0.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.805 ppm2 1.504 CV 1
ASSI { 557}
(( segid " " and resid 36 and name HG12))
( segid " " and resid 36 and name HD1%)
6.000 4.800 0.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.742 ppm2 1.503 CV 1
ASSI { 558}
(( segid " " and resid 36 and name HG12))
(( segid " " and resid 36 and name HB ))
6.000 4.800 0.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.742 ppm2 1.737 CV 1
ASSI { 560}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 36 and name HG13))
6.000 4.800 0.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.805 ppm2 0.990 CV 1
ASSI { 561}
(( segid " " and resid 36 and name HG12))
(( segid " " and resid 36 and name HG13))
6.000 4.800 0.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.744 ppm2 0.990 CV 1
ASSI { 563}
(( segid " " and resid 36 and name HB ))
( segid " " and resid 36 and name HG2%)
2.400 1.000 1.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.13384E-01 ppm1 1.736 ppm2 0.802 CV 1
ASSI { 568}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 36 and name HG2%)
2.600 1.100 1.100 peak 568 spectrum 1 weight 0.10000E+01 volume 0.81169E-02 ppm1 3.364 ppm2 0.799 CV 1
ASSI { 570}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 37 and name HN ))
6.000 4.800 0.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.614 ppm2 9.038 CV 1
ASSI { 571}
(( segid " " and resid 36 and name HB ))
(( segid " " and resid 37 and name HN ))
6.000 4.800 0.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.737 ppm2 9.038 CV 1
ASSI { 572}
( segid " " and resid 36 and name HD1%)
(( segid " " and resid 37 and name HN ))
6.000 4.800 0.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.505 ppm2 9.038 CV 1
ASSI { 574}
(( segid " " and resid 36 and name HG12))
(( segid " " and resid 37 and name HN ))
6.000 4.800 0.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.743 ppm2 9.038 CV 1
ASSI { 577}
(( segid " " and resid 37 and name HA2 ))
(( segid " " and resid 38 and name HN ))
6.000 4.800 0.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.345 ppm2 8.150 CV 1
ASSI { 578}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 39 and name HN ))
6.000 4.800 0.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.152 ppm2 8.428 CV 1
ASSI { 579}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HG2 ))
6.000 4.800 0.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.633 ppm2 2.419 CV 1
OR { 579}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HG3 ))
ASSI { 580}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
6.000 4.800 0.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.632 ppm2 8.535 CV 1
ASSI { 581}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 24 and name HN ))
6.000 4.800 0.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.846 ppm2 8.535 CV 1
ASSI { 582}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 24 and name HN ))
6.000 4.800 0.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.010 ppm2 8.535 CV 1
ASSI { 583}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 24 and name HN ))
6.000 4.800 0.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.423 ppm2 8.535 CV 1
OR { 583}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 24 and name HN ))
ASSI { 584}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 25 and name HN ))
6.000 4.800 0.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.536 ppm2 8.729 CV 1
ASSI { 585}
(( segid " " and resid 24 and name HB3 ))
(( segid " " and resid 25 and name HN ))
6.000 4.800 0.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.778 ppm2 8.729 CV 1
OR { 585}
(( segid " " and resid 24 and name HB2 ))
(( segid " " and resid 25 and name HN ))
ASSI { 586}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 25 and name HN ))
6.000 4.800 0.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.255 ppm2 8.729 CV 1
ASSI { 588}
(( segid " " and resid 25 and name HA1 ))
(( segid " " and resid 26 and name HN ))
6.000 4.800 0.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.771 ppm2 7.870 CV 1
ASSI { 590}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
6.000 4.800 0.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.486 ppm2 8.437 CV 1
ASSI { 591}
( segid " " and resid 27 and name HB% )
(( segid " " and resid 27 and name HN ))
6.000 4.800 0.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.384 ppm2 8.438 CV 1
ASSI { 592}
( segid " " and resid 27 and name HB% )
(( segid " " and resid 27 and name HA ))
6.000 4.800 0.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.389 ppm2 4.484 CV 1
ASSI { 594}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 27 and name HN ))
2.500 1.100 1.100 peak 594 spectrum 1 weight 0.10000E+01 volume 0.12046E-01 ppm1 4.575 ppm2 8.433 CV 1
ASSI { 595}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 27 and name HN ))
3.300 1.600 1.600 peak 595 spectrum 1 weight 0.10000E+01 volume 0.28395E-02 ppm1 3.694 ppm2 8.432 CV 1
ASSI { 596}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 27 and name HN ))
6.000 4.800 0.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.852 ppm2 8.433 CV 1
ASSI { 598}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HA ))
6.000 4.800 0.000 peak 598 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.935 ppm2 4.371 CV 1
ASSI { 599}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HA ))
6.000 4.800 0.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.974 ppm2 4.372 CV 1
ASSI { 600}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HN ))
6.000 4.800 0.000 peak 600 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.974 ppm2 8.640 CV 1
ASSI { 601}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HN ))
6.000 4.800 0.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.929 ppm2 8.639 CV 1
ASSI { 602}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HB2 ))
6.000 4.800 0.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.972 ppm2 2.931 CV 1
ASSI { 605}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HN ))
6.000 4.800 0.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.767 ppm2 8.733 CV 1
ASSI { 606}
( segid " " and resid 63 and name HB% )
(( segid " " and resid 63 and name HN ))
2.400 1.100 1.100 peak 606 spectrum 1 weight 0.10000E+01 volume 0.20937E-01 ppm1 1.323 ppm2 8.732 CV 1
ASSI { 608}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HN ))
6.000 4.800 0.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.633 ppm2 8.764 CV 1
ASSI { 609}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB2 ))
2.700 1.200 1.200 peak 609 spectrum 1 weight 0.10000E+01 volume 0.81453E-02 ppm1 4.635 ppm2 1.697 CV 1
OR { 609}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB3 ))
ASSI { 610}
(( segid " " and resid 29 and name HG ))
(( segid " " and resid 29 and name HB3 ))
6.000 4.800 0.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.489 ppm2 1.697 CV 1
OR { 610}
(( segid " " and resid 29 and name HG ))
(( segid " " and resid 29 and name HB2 ))
ASSI { 611}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 29 and name HB3 ))
6.000 4.800 0.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.184 ppm2 1.695 CV 1
OR { 611}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 29 and name HB2 ))
ASSI { 612}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 29 and name HG ))
6.000 4.800 0.000 peak 612 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.184 ppm2 1.490 CV 1
ASSI { 613}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HN ))
2.700 1.200 1.200 peak 613 spectrum 1 weight 0.10000E+01 volume 0.83657E-02 ppm1 8.441 ppm2 8.132 CV 1
ASSI { 614}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HN ))
6.000 4.800 0.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.598 ppm2 8.131 CV 1
ASSI { 615}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 28 and name HN ))
6.000 4.800 0.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.636 ppm2 8.131 CV 1
ASSI { 616}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
6.000 4.800 0.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.650 ppm2 3.590 CV 1
ASSI { 617}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB3 ))
6.000 4.800 0.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.649 ppm2 3.628 CV 1
ASSI { 618}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 29 and name HN ))
6.000 4.800 0.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.600 ppm2 8.760 CV 1
ASSI { 619}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 29 and name HN ))
6.000 4.800 0.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.638 ppm2 8.760 CV 1
ASSI { 620}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 29 and name HN ))
6.000 4.800 0.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.651 ppm2 8.756 CV 1
ASSI { 621}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HN ))
4.500 2.800 1.500 peak 621 spectrum 1 weight 0.10000E+01 volume 0.76960E-03 ppm1 8.761 ppm2 8.129 CV 1
ASSI { 622}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HN ))
6.000 4.800 0.000 peak 622 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.581 ppm2 8.760 CV 1
ASSI { 623}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 30 and name HN ))
6.000 4.800 0.000 peak 623 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.633 ppm2 8.580 CV 1
ASSI { 624}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 30 and name HN ))
6.000 4.800 0.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.185 ppm2 8.578 CV 1
ASSI { 625}
(( segid " " and resid 29 and name HG ))
(( segid " " and resid 30 and name HN ))
6.000 4.800 0.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.493 ppm2 8.578 CV 1
ASSI { 626}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 30 and name HN ))
6.000 4.800 0.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.697 ppm2 8.580 CV 1
OR { 626}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 30 and name HN ))
ASSI { 628}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 31 and name HN ))
6.000 4.800 0.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.594 ppm2 8.786 CV 1
ASSI { 629}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
3.700 2.000 2.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.19312E-02 ppm1 8.787 ppm2 8.583 CV 1
ASSI { 630}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
6.000 4.800 0.000 peak 630 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.360 ppm2 8.784 CV 1
ASSI { 631}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
2.200 0.900 0.900 peak 631 spectrum 1 weight 0.10000E+01 volume 0.22754E-01 ppm1 5.660 ppm2 8.359 CV 1
ASSI { 632}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 32 and name HN ))
6.000 4.800 0.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.639 ppm2 8.357 CV 1
ASSI { 633}
(( segid " " and resid 31 and name HB3 ))
(( segid " " and resid 32 and name HN ))
6.000 4.800 0.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.834 ppm2 8.357 CV 1
ASSI { 634}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HB ))
3.400 1.800 1.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.16253E-02 ppm1 4.723 ppm2 2.178 CV 1
ASSI { 635}
(( segid " " and resid 32 and name HA ))
( segid " " and resid 32 and name HG1%)
4.300 2.600 1.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.46655E-03 ppm1 4.723 ppm2 0.889 CV 1
ASSI { 636}
( segid " " and resid 32 and name HG1%)
( segid " " and resid 32 and name HG2%)
6.000 4.800 0.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.897 ppm2 0.982 CV 1
ASSI { 637}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 33 and name HN ))
6.000 4.800 0.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.725 ppm2 8.632 CV 1
ASSI { 639}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 33 and name HN ))
6.000 4.800 0.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.897 ppm2 8.632 CV 1
ASSI { 640}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 33 and name HN ))
6.000 4.800 0.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.997 ppm2 8.632 CV 1
ASSI { 641}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
6.000 4.800 0.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.351 ppm2 8.639 CV 1
ASSI { 642}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 44 and name HN ))
6.000 4.800 0.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.325 ppm2 8.784 CV 1
ASSI { 643}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB2 ))
6.000 4.800 0.000 peak 643 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.749 ppm2 3.687 CV 1
OR { 643}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 43 and name HB3 ))
ASSI { 644}
(( segid " " and resid 43 and name HA ))
(( segid " " and resid 44 and name HN ))
6.000 4.800 0.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.749 ppm2 8.784 CV 1
ASSI { 646}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 3 and name HN ))
3.500 1.800 1.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.36234E-02 ppm1 1.125 ppm2 8.140 CV 1
ASSI { 647}
(( segid " " and resid 8 and name HD22))
(( segid " " and resid 8 and name HD21))
6.000 4.800 0.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.848 ppm2 7.505 CV 1
ASSI { 648}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HD21))
6.000 4.800 0.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.846 ppm2 7.505 CV 1
ASSI { 649}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HD22))
6.000 4.800 0.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.846 ppm2 6.852 CV 1
ASSI { 650}
( segid " " and resid 18 and name HE% )
( segid " " and resid 18 and name HD% )
2.000 0.800 0.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.34609E-01 ppm1 6.521 ppm2 6.729 CV 1
ASSI { 651}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 42 and name HN ))
2.400 1.000 1.000 peak 651 spectrum 1 weight 0.10000E+01 volume 0.15106E-01 ppm1 1.324 ppm2 7.128 CV 1
ASSI { 652}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HN ))
6.000 4.800 0.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.658 ppm2 7.132 CV 1
ASSI { 653}
(( segid " " and resid 42 and name HA ))
( segid " " and resid 42 and name HB% )
6.000 4.800 0.000 peak 653 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.658 ppm2 1.323 CV 1
ASSI { 654}
(( segid " " and resid 36 and name HG13))
(( segid " " and resid 37 and name HN ))
6.000 4.800 0.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.997 ppm2 9.038 CV 1
ASSI { 655}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HN ))
1.900 0.800 0.800 peak 655 spectrum 1 weight 0.10000E+01 volume 0.33462E-01 ppm1 3.363 ppm2 9.038 CV 1
ASSI { 656}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 4 and name HN ))
6.000 4.800 0.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.142 ppm2 8.658 CV 1
ASSI { 657}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 4 and name HN ))
3.000 1.400 1.400 peak 657 spectrum 1 weight 0.10000E+01 volume 0.72563E-02 ppm1 1.125 ppm2 8.658 CV 1
ASSI { 658}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 4 and name HN ))
6.000 4.800 0.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.932 ppm2 8.661 CV 1
ASSI { 659}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HN ))
6.000 4.800 0.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.390 ppm2 8.661 CV 1
ASSI { 660}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HB3 ))
6.000 4.800 0.000 peak 660 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.713 ppm2 2.811 CV 1
ASSI { 661}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB2 ))
6.000 4.800 0.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.785 ppm2 2.707 CV 1
ASSI { 662}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB3 ))
6.000 4.800 0.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.783 ppm2 2.811 CV 1
ASSI { 663}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 52 and name HN ))
6.000 4.800 0.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.710 ppm2 8.191 CV 1
ASSI { 664}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 52 and name HN ))
6.000 4.800 0.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.770 ppm2 8.193 CV 1
ASSI { 665}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HN ))
6.000 4.800 0.000 peak 665 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.365 ppm2 8.193 CV 1
ASSI { 666}
(( segid " " and resid 55 and name HA2 ))
(( segid " " and resid 55 and name HN ))
6.000 4.800 0.000 peak 666 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.980 ppm2 8.356 CV 1
ASSI { 667}
(( segid " " and resid 55 and name HA1 ))
(( segid " " and resid 55 and name HN ))
6.000 4.800 0.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.927 ppm2 8.356 CV 1
ASSI { 668}
(( segid " " and resid 55 and name HA1 ))
(( segid " " and resid 55 and name HA2 ))
6.000 4.800 0.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.927 ppm2 3.984 CV 1
ASSI { 669}
(( segid " " and resid 55 and name HA2 ))
(( segid " " and resid 56 and name HN ))
6.000 4.800 0.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.980 ppm2 8.397 CV 1
ASSI { 670}
(( segid " " and resid 55 and name HA1 ))
(( segid " " and resid 56 and name HN ))
6.000 4.800 0.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.926 ppm2 8.395 CV 1
ASSI { 671}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HN ))
6.000 4.800 0.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.401 ppm2 8.355 CV 1
ASSI { 672}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 57 and name HN ))
6.000 4.800 0.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.724 ppm2 8.205 CV 1
ASSI { 673}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 52 and name HN ))
6.000 4.800 0.000 peak 673 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.824 ppm2 8.193 CV 1
ASSI { 674}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 57 and name HN ))
6.000 4.800 0.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.841 ppm2 8.205 CV 1
ASSI { 675}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 57 and name HN ))
6.000 4.800 0.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.758 ppm2 8.207 CV 1
ASSI { 676}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 57 and name HN ))
6.000 4.800 0.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.398 ppm2 8.207 CV 1
ASSI { 677}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 58 and name HN ))
6.000 4.800 0.000 peak 677 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.875 ppm2 8.143 CV 1
OR { 677}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 58 and name HN ))
ASSI { 678}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 58 and name HN ))
6.000 4.800 0.000 peak 678 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.490 ppm2 8.143 CV 1
ASSI { 679}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 58 and name HN ))
6.000 4.800 0.000 peak 679 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.206 ppm2 8.143 CV 1
ASSI { 680}
( segid " " and resid 59 and name HD1%)
( segid " " and resid 59 and name HD2%)
6.000 4.800 0.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.742 ppm2 0.786 CV 1
ASSI { 681}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 59 and name HD1%)
6.000 4.800 0.000 peak 681 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.408 ppm2 0.743 CV 1
ASSI { 682}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 59 and name HD2%)
6.000 4.800 0.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.410 ppm2 0.787 CV 1
ASSI { 683}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 59 and name HD1%)
6.000 4.800 0.000 peak 683 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.377 ppm2 0.742 CV 1
ASSI { 684}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 59 and name HD2%)
6.000 4.800 0.000 peak 684 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.377 ppm2 0.787 CV 1
ASSI { 685}
(( segid " " and resid 59 and name HG ))
( segid " " and resid 59 and name HD1%)
6.000 4.800 0.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.476 ppm2 0.743 CV 1
ASSI { 686}
(( segid " " and resid 59 and name HG ))
( segid " " and resid 59 and name HD2%)
6.000 4.800 0.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.478 ppm2 0.784 CV 1
ASSI { 687}
(( segid " " and resid 59 and name HG ))
(( segid " " and resid 59 and name HB2 ))
6.000 4.800 0.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.474 ppm2 1.375 CV 1
ASSI { 688}
(( segid " " and resid 59 and name HG ))
(( segid " " and resid 59 and name HB3 ))
6.000 4.800 0.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.474 ppm2 1.405 CV 1
ASSI { 689}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB2 ))
6.000 4.800 0.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.482 ppm2 1.375 CV 1
ASSI { 690}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HG ))
3.100 1.500 1.500 peak 690 spectrum 1 weight 0.10000E+01 volume 0.29637E-02 ppm1 4.486 ppm2 1.473 CV 1
ASSI { 691}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB3 ))
6.000 4.800 0.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.488 ppm2 1.402 CV 1
ASSI { 692}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 59 and name HD1%)
3.500 1.800 1.800 peak 692 spectrum 1 weight 0.10000E+01 volume 0.43883E-02 ppm1 4.482 ppm2 0.744 CV 1
ASSI { 693}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 59 and name HD2%)
4.300 2.600 1.700 peak 693 spectrum 1 weight 0.10000E+01 volume 0.14627E-02 ppm1 4.484 ppm2 0.785 CV 1
ASSI { 694}
(( segid " " and resid 58 and name HA1 ))
(( segid " " and resid 59 and name HN ))
6.000 4.800 0.000 peak 694 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.910 ppm2 8.458 CV 1
ASSI { 696}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HN ))
6.000 4.800 0.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.147 ppm2 8.459 CV 1
ASSI { 697}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HN ))
6.000 4.800 0.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.605 ppm2 8.635 CV 1
ASSI { 698}
(( segid " " and resid 5 and name HG12))
(( segid " " and resid 5 and name HN ))
6.000 4.800 0.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.374 ppm2 8.632 CV 1
ASSI { 699}
(( segid " " and resid 5 and name HG13))
( segid " " and resid 5 and name HD1%)
6.000 4.800 0.000 peak 699 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.036 ppm2 0.602 CV 1
ASSI { 700}
(( segid " " and resid 5 and name HG12))
( segid " " and resid 5 and name HD1%)
6.000 4.800 0.000 peak 700 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.377 ppm2 0.602 CV 1
ASSI { 701}
(( segid " " and resid 5 and name HG12))
( segid " " and resid 5 and name HG2%)
6.000 4.800 0.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.374 ppm2 0.635 CV 1
ASSI { 702}
(( segid " " and resid 5 and name HG12))
(( segid " " and resid 5 and name HG13))
6.000 4.800 0.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.374 ppm2 1.031 CV 1
ASSI { 703}
(( segid " " and resid 5 and name HB ))
( segid " " and resid 5 and name HD1%)
6.000 4.800 0.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.958 ppm2 0.604 CV 1
ASSI { 704}
(( segid " " and resid 5 and name HA ))
( segid " " and resid 5 and name HD1%)
6.000 4.800 0.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.833 ppm2 0.602 CV 1
ASSI { 705}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 5 and name HG12))
6.000 4.800 0.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.834 ppm2 1.368 CV 1
ASSI { 706}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HN ))
2.200 0.900 0.900 peak 706 spectrum 1 weight 0.10000E+01 volume 0.20459E-01 ppm1 3.830 ppm2 8.829 CV 1
ASSI { 707}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 6 and name HN ))
6.000 4.800 0.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.960 ppm2 8.829 CV 1
ASSI { 708}
(( segid " " and resid 5 and name HG12))
(( segid " " and resid 6 and name HN ))
6.000 4.800 0.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.377 ppm2 8.829 CV 1
ASSI { 709}
(( segid " " and resid 5 and name HG13))
(( segid " " and resid 6 and name HN ))
6.000 4.800 0.000 peak 709 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.035 ppm2 8.827 CV 1
ASSI { 711}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 6 and name HN ))
6.000 4.800 0.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.608 ppm2 8.832 CV 1
ASSI { 712}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HN ))
6.000 4.800 0.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.638 ppm2 8.829 CV 1
ASSI { 713}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 5 and name HN ))
6.000 4.800 0.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.958 ppm2 8.632 CV 1
ASSI { 714}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 5 and name HN ))
6.000 4.800 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.859 ppm2 8.635 CV 1
ASSI { 715}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HN ))
6.000 4.800 0.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.615 ppm2 8.635 CV 1
ASSI { 716}
(( segid " " and resid 61 and name HG12))
(( segid " " and resid 62 and name HN ))
6.000 4.800 0.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.602 ppm2 8.607 CV 1
ASSI { 717}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 62 and name HN ))
6.000 4.800 0.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.664 ppm2 8.606 CV 1
ASSI { 718}
(( segid " " and resid 61 and name HG13))
(( segid " " and resid 62 and name HN ))
6.000 4.800 0.000 peak 718 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.978 ppm2 8.604 CV 1
ASSI { 719}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 62 and name HN ))
6.000 4.800 0.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.415 ppm2 8.606 CV 1
ASSI { 720}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 62 and name HN ))
2.200 0.900 0.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.26483E-01 ppm1 4.153 ppm2 8.606 CV 1
ASSI { 721}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HN ))
6.000 4.800 0.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.607 ppm2 8.801 CV 1
ASSI { 722}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 63 and name HN ))
6.000 4.800 0.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.617 ppm2 8.734 CV 1
ASSI { 723}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 63 and name HN ))
6.000 4.800 0.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.734 ppm2 8.734 CV 1
ASSI { 724}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 63 and name HN ))
6.000 4.800 0.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.675 ppm2 8.734 CV 1
ASSI { 725}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 63 and name HN ))
6.000 4.800 0.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.607 ppm2 8.734 CV 1
ASSI { 726}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 64 and name HN ))
3.300 1.600 1.600 peak 726 spectrum 1 weight 0.10000E+01 volume 0.23519E-02 ppm1 3.771 ppm2 8.355 CV 1
ASSI { 727}
( segid " " and resid 63 and name HB% )
(( segid " " and resid 64 and name HN ))
6.000 4.800 0.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.329 ppm2 8.355 CV 1
ASSI { 728}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 64 and name HN ))
3.000 1.400 1.400 peak 728 spectrum 1 weight 0.10000E+01 volume 0.49619E-02 ppm1 8.740 ppm2 8.355 CV 1
ASSI { 730}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 65 and name HN ))
6.000 4.800 0.000 peak 730 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.215 ppm2 8.153 CV 1
ASSI { 731}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 65 and name HN ))
6.000 4.800 0.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.356 ppm2 8.150 CV 1
ASSI { 732}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HN ))
6.000 4.800 0.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.720 ppm2 8.307 CV 1
ASSI { 733}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 50 and name HB2 ))
6.000 4.800 0.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.784 ppm2 2.697 CV 1
ASSI { 734}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB3 ))
6.000 4.800 0.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.718 ppm2 2.783 CV 1
ASSI { 735}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB2 ))
6.000 4.800 0.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.720 ppm2 2.697 CV 1
ASSI { 738}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 51 and name HN ))
6.000 4.800 0.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.823 ppm2 7.790 CV 1
OR { 738}
( segid " " and resid 51 and name HG1%)
(( segid " " and resid 51 and name HN ))
ASSI { 739}
(( segid " " and resid 51 and name HB ))
( segid " " and resid 51 and name HG1%)
6.000 4.800 0.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.048 ppm2 0.813 CV 1
OR { 739}
(( segid " " and resid 51 and name HB ))
( segid " " and resid 51 and name HG2%)
ASSI { 740}
(( segid " " and resid 51 and name HB ))
(( segid " " and resid 51 and name HA ))
2.700 1.200 1.200 peak 740 spectrum 1 weight 0.10000E+01 volume 0.75147E-02 ppm1 2.052 ppm2 4.193 CV 1
ASSI { 742}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 14 and name HN ))
6.000 4.800 0.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.747 ppm2 8.637 CV 1
OR { 742}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 14 and name HN ))
ASSI { 743}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HN ))
6.000 4.800 0.000 peak 743 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.363 ppm2 8.639 CV 1
ASSI { 744}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HN ))
6.000 4.800 0.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.639 ppm2 8.692 CV 1
ASSI { 745}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 15 and name HN ))
6.000 4.800 0.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.930 ppm2 7.968 CV 1
ASSI { 746}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 15 and name HN ))
6.000 4.800 0.000 peak 746 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.972 ppm2 7.968 CV 1
ASSI { 747}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
2.900 1.400 1.400 peak 747 spectrum 1 weight 0.10000E+01 volume 0.52107E-02 ppm1 4.373 ppm2 7.968 CV 1
ASSI { 748}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HN ))
2.500 1.100 1.100 peak 748 spectrum 1 weight 0.10000E+01 volume 0.11186E-01 ppm1 8.641 ppm2 7.969 CV 1
ASSI { 749}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 16 and name HN ))
4.000 2.300 2.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.21416E-02 ppm1 2.396 ppm2 8.653 CV 1
ASSI { 750}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 16 and name HN ))
3.100 1.500 1.500 peak 750 spectrum 1 weight 0.10000E+01 volume 0.20364E-02 ppm1 3.104 ppm2 8.651 CV 1
ASSI { 751}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
6.000 4.800 0.000 peak 751 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.641 ppm2 8.658 CV 1
ASSI { 752}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
6.000 4.800 0.000 peak 752 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.972 ppm2 8.658 CV 1
ASSI { 753}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 15 and name HD% )
2.900 1.300 1.300 peak 753 spectrum 1 weight 0.10000E+01 volume 0.41970E-02 ppm1 4.636 ppm2 6.878 CV 1
ASSI { 754}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 15 and name HE% )
6.000 4.800 0.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.643 ppm2 6.665 CV 1
ASSI { 757}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 15 and name HD% )
2.400 1.000 1.000 peak 757 spectrum 1 weight 0.10000E+01 volume 0.12620E-01 ppm1 3.101 ppm2 6.878 CV 1
ASSI { 758}
(( segid " " and resid 15 and name HB3 ))
( segid " " and resid 15 and name HE% )
4.600 3.000 1.400 peak 758 spectrum 1 weight 0.10000E+01 volume 0.11377E-02 ppm1 3.101 ppm2 6.665 CV 1
ASSI { 759}
( segid " " and resid 15 and name HE% )
( segid " " and resid 15 and name HD% )
1.800 0.700 0.700 peak 759 spectrum 1 weight 0.10000E+01 volume 0.53346E-01 ppm1 6.672 ppm2 6.881 CV 1
ASSI { 761}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 18 and name HD% )
2.300 1.000 1.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.14914E-01 ppm1 2.569 ppm2 6.729 CV 1
ASSI { 762}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 18 and name HE% )
3.900 2.200 2.100 peak 762 spectrum 1 weight 0.10000E+01 volume 0.35278E-02 ppm1 2.571 ppm2 6.520 CV 1
ASSI { 763}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 18 and name HD% )
2.300 0.900 0.900 peak 763 spectrum 1 weight 0.10000E+01 volume 0.16922E-01 ppm1 2.707 ppm2 6.727 CV 1
ASSI { 764}
(( segid " " and resid 18 and name HB3 ))
( segid " " and resid 18 and name HE% )
5.000 3.400 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.80402E-03 ppm1 2.707 ppm2 6.520 CV 1
ASSI { 765}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 18 and name HD% )
2.800 1.300 1.300 peak 765 spectrum 1 weight 0.10000E+01 volume 0.51533E-02 ppm1 4.653 ppm2 6.729 CV 1
ASSI { 766}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 18 and name HE% )
6.000 4.800 0.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.655 ppm2 6.523 CV 1
ASSI { 767}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 18 and name HN ))
3.100 1.500 1.500 peak 767 spectrum 1 weight 0.10000E+01 volume 0.49619E-02 ppm1 6.731 ppm2 9.472 CV 1
ASSI { 768}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HD21))
6.000 4.800 0.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.759 ppm2 7.526 CV 1
ASSI { 769}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HD21))
6.000 4.800 0.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.840 ppm2 7.529 CV 1
ASSI { 770}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HD22))
6.000 4.800 0.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.759 ppm2 6.852 CV 1
ASSI { 771}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HD22))
6.000 4.800 0.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.842 ppm2 6.852 CV 1
ASSI { 772}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HD21))
6.000 4.800 0.000 peak 772 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.736 ppm2 7.529 CV 1
ASSI { 773}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HD22))
6.000 4.800 0.000 peak 773 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.736 ppm2 6.852 CV 1
ASSI { 774}
(( segid " " and resid 56 and name HD22))
(( segid " " and resid 56 and name HD21))
6.000 4.800 0.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.855 ppm2 7.529 CV 1
ASSI { 775}
(( segid " " and resid 56 and name HD22))
(( segid " " and resid 56 and name HN ))
6.000 4.800 0.000 peak 775 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.855 ppm2 8.397 CV 1
ASSI { 776}
(( segid " " and resid 56 and name HD21))
(( segid " " and resid 56 and name HN ))
6.000 4.800 0.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.533 ppm2 8.397 CV 1
ASSI { 778}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HD21))
6.000 4.800 0.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.735 ppm2 7.364 CV 1
ASSI { 780}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HD22))
6.000 4.800 0.000 peak 780 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.733 ppm2 7.021 CV 1
ASSI { 781}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HD22))
6.000 4.800 0.000 peak 781 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.618 ppm2 7.025 CV 1
ASSI { 782}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 62 and name HD22))
1.600 0.600 0.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.78300E-01 ppm1 7.370 ppm2 7.023 CV 1
ASSI { 785}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 3 and name HN ))
6.000 4.800 0.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.562 ppm2 8.141 CV 1
ASSI { 786}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 3 and name HN ))
3.100 1.500 1.500 peak 786 spectrum 1 weight 0.10000E+01 volume 0.62718E-02 ppm1 1.226 ppm2 8.141 CV 1
ASSI { 787}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HN ))
6.000 4.800 0.000 peak 787 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.143 ppm2 8.618 CV 1
ASSI { 788}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 49 and name HN ))
6.000 4.800 0.000 peak 788 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.013 ppm2 8.374 CV 1
ASSI { 789}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 49 and name HN ))
6.000 4.800 0.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.400 ppm2 8.374 CV 1
OR { 789}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 49 and name HN ))
ASSI { 790}
(( segid " " and resid 48 and name HE2 ))
(( segid " " and resid 49 and name HN ))
6.000 4.800 0.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.818 ppm2 8.371 CV 1
ASSI { 791}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 49 and name HN ))
6.000 4.800 0.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.024 ppm2 8.374 CV 1
ASSI { 792}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 49 and name HN ))
6.000 4.800 0.000 peak 792 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.226 ppm2 8.374 CV 1
ASSI { 793}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 50 and name HN ))
6.000 4.800 0.000 peak 793 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.565 ppm2 8.307 CV 1
ASSI { 794}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 50 and name HN ))
4.500 2.800 1.500 peak 794 spectrum 1 weight 0.10000E+01 volume 0.12142E-02 ppm1 2.570 ppm2 8.304 CV 1
ASSI { 795}
(( segid " " and resid 49 and name HB3 ))
(( segid " " and resid 50 and name HN ))
6.000 4.800 0.000 peak 795 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.728 ppm2 8.307 CV 1
ASSI { 796}
(( segid " " and resid 50 and name HB2 ))
(( segid " " and resid 51 and name HN ))
6.000 4.800 0.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.700 ppm2 7.790 CV 1
ASSI { 797}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 51 and name HN ))
6.000 4.800 0.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.783 ppm2 7.790 CV 1
ASSI { 798}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 51 and name HN ))
2.900 1.400 1.400 peak 798 spectrum 1 weight 0.10000E+01 volume 0.59083E-02 ppm1 4.719 ppm2 7.790 CV 1
ASSI { 799}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 51 and name HN ))
2.800 1.300 1.300 peak 799 spectrum 1 weight 0.10000E+01 volume 0.59753E-02 ppm1 8.307 ppm2 7.788 CV 1
ASSI { 800}
( segid " " and resid 51 and name HG1%)
(( segid " " and resid 52 and name HN ))
6.000 4.800 0.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.825 ppm2 8.196 CV 1
OR { 800}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 52 and name HN ))
ASSI { 801}
(( segid " " and resid 51 and name HB ))
(( segid " " and resid 52 and name HN ))
3.400 1.700 1.700 peak 801 spectrum 1 weight 0.10000E+01 volume 0.35947E-02 ppm1 2.045 ppm2 8.193 CV 1
ASSI { 803}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HN ))
4.100 2.400 1.900 peak 803 spectrum 1 weight 0.10000E+01 volume 0.17974E-02 ppm1 8.197 ppm2 7.790 CV 1
ASSI { 805}
(( segid " " and resid 52 and name HB ))
(( segid " " and resid 53 and name HN ))
3.400 1.700 1.700 peak 805 spectrum 1 weight 0.10000E+01 volume 0.25431E-02 ppm1 4.125 ppm2 8.364 CV 1
ASSI { 806}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 53 and name HN ))
3.700 2.000 2.000 peak 806 spectrum 1 weight 0.10000E+01 volume 0.37382E-02 ppm1 1.119 ppm2 8.364 CV 1
ASSI { 807}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB2 ))
6.000 4.800 0.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.622 ppm2 1.995 CV 1
ASSI { 808}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB3 ))
2.900 1.300 1.300 peak 808 spectrum 1 weight 0.10000E+01 volume 0.40058E-02 ppm1 4.611 ppm2 2.096 CV 1
ASSI { 809}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG3 ))
6.000 4.800 0.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.623 ppm2 2.377 CV 1
OR { 809}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG2 ))
ASSI { 810}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 48 and name HZ% )
6.000 4.800 0.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.023 ppm2 7.450 CV 1
ASSI { 811}
(( segid " " and resid 48 and name HD2 ))
(( segid " " and resid 48 and name HN ))
6.000 4.800 0.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.402 ppm2 8.228 CV 1
OR { 811}
(( segid " " and resid 48 and name HD3 ))
(( segid " " and resid 48 and name HN ))
ASSI { 812}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 48 and name HN ))
6.000 4.800 0.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.018 ppm2 8.226 CV 1
ASSI { 813}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 48 and name HN ))
6.000 4.800 0.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.990 ppm2 8.226 CV 1
ASSI { 814}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 48 and name HB3 ))
6.000 4.800 0.000 peak 814 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.020 ppm2 1.398 CV 1
OR { 814}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 48 and name HB2 ))
ASSI { 815}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 48 and name HB2 ))
6.000 4.800 0.000 peak 815 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.994 ppm2 1.399 CV 1
OR { 815}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 48 and name HB3 ))
ASSI { 816}
(( segid " " and resid 48 and name HE2 ))
(( segid " " and resid 48 and name HD2 ))
2.500 1.100 1.100 peak 816 spectrum 1 weight 0.10000E+01 volume 0.10516E-01 ppm1 2.819 ppm2 1.398 CV 1
OR { 816}
(( segid " " and resid 48 and name HE2 ))
(( segid " " and resid 48 and name HD3 ))
ASSI { 817}
(( segid " " and resid 48 and name HE2 ))
(( segid " " and resid 48 and name HG2 ))
6.000 4.800 0.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.820 ppm2 0.985 CV 1
ASSI { 818}
(( segid " " and resid 48 and name HE2 ))
(( segid " " and resid 48 and name HG3 ))
6.000 4.800 0.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.815 ppm2 1.017 CV 1
ASSI { 819}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HG2 ))
6.000 4.800 0.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.019 ppm2 0.988 CV 1
ASSI { 820}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HB2 ))
2.600 1.200 1.200 peak 820 spectrum 1 weight 0.10000E+01 volume 0.73903E-02 ppm1 4.020 ppm2 1.399 CV 1
OR { 820}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HB3 ))
ASSI { 821}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 48 and name HG3 ))
6.000 4.800 0.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.023 ppm2 1.017 CV 1
ASSI { 822}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HN ))
6.000 4.800 0.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.341 ppm2 8.201 CV 1
ASSI { 823}
(( segid " " and resid 54 and name HB ))
(( segid " " and resid 54 and name HN ))
6.000 4.800 0.000 peak 823 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.239 ppm2 8.201 CV 1
ASSI { 824}
( segid " " and resid 54 and name HG2%)
(( segid " " and resid 54 and name HN ))
6.000 4.800 0.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.123 ppm2 8.201 CV 1
ASSI { 825}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 54 and name HB ))
6.000 4.800 0.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.339 ppm2 4.232 CV 1
ASSI { 826}
(( segid " " and resid 54 and name HB ))
( segid " " and resid 54 and name HG2%)
2.700 1.200 1.200 peak 826 spectrum 1 weight 0.10000E+01 volume 0.88053E-02 ppm1 4.241 ppm2 1.123 CV 1
ASSI { 827}
(( segid " " and resid 54 and name HA ))
( segid " " and resid 54 and name HG2%)
6.000 4.800 0.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.341 ppm2 1.123 CV 1
ASSI { 830}
(( segid " " and resid 60 and name HB ))
(( segid " " and resid 60 and name HG13))
6.000 4.800 0.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.654 ppm2 1.031 CV 1
ASSI { 831}
(( segid " " and resid 60 and name HB ))
( segid " " and resid 60 and name HG2%)
6.000 4.800 0.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.655 ppm2 0.701 CV 1
ASSI { 832}
(( segid " " and resid 60 and name HG13))
( segid " " and resid 60 and name HD1%)
6.000 4.800 0.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.036 ppm2 0.697 CV 1
ASSI { 833}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HB ))
6.000 4.800 0.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.794 ppm2 1.659 CV 1
ASSI { 834}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 60 and name HG2%)
2.600 1.200 1.200 peak 834 spectrum 1 weight 0.10000E+01 volume 0.12046E-01 ppm1 4.793 ppm2 0.700 CV 1
ASSI { 835}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HG13))
2.700 1.200 1.200 peak 835 spectrum 1 weight 0.10000E+01 volume 0.65298E-02 ppm1 4.797 ppm2 1.031 CV 1
ASSI { 836}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 60 and name HN ))
6.000 4.800 0.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.486 ppm2 8.193 CV 1
ASSI { 838}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 60 and name HN ))
6.000 4.800 0.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.405 ppm2 8.193 CV 1
ASSI { 839}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 60 and name HN ))
6.000 4.800 0.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.379 ppm2 8.193 CV 1
ASSI { 840}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 60 and name HN ))
6.000 4.800 0.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.745 ppm2 8.193 CV 1
ASSI { 841}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 60 and name HN ))
6.000 4.800 0.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.774 ppm2 8.193 CV 1
ASSI { 843}
( segid " " and resid 60 and name HD1%)
(( segid " " and resid 60 and name HN ))
6.000 4.800 0.000 peak 843 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.699 ppm2 8.197 CV 1
ASSI { 844}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HN ))
6.000 4.800 0.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.198 ppm2 8.462 CV 1
ASSI { 845}
(( segid " " and resid 60 and name HG13))
(( segid " " and resid 60 and name HN ))
6.000 4.800 0.000 peak 845 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.024 ppm2 8.195 CV 1
ASSI { 846}
(( segid " " and resid 60 and name HB ))
(( segid " " and resid 60 and name HN ))
2.400 1.000 1.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.13863E-01 ppm1 1.660 ppm2 8.195 CV 1
ASSI { 847}
(( segid " " and resid 60 and name HB ))
(( segid " " and resid 61 and name HN ))
6.000 4.800 0.000 peak 847 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.658 ppm2 8.801 CV 1
ASSI { 848}
(( segid " " and resid 60 and name HG13))
(( segid " " and resid 61 and name HN ))
6.000 4.800 0.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.024 ppm2 8.801 CV 1
ASSI { 849}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 61 and name HN ))
6.000 4.800 0.000 peak 849 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.793 ppm2 8.803 CV 1
ASSI { 850}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 61 and name HN ))
6.000 4.800 0.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.200 ppm2 8.803 CV 1
ASSI { 851}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HE22))
5.200 3.600 0.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.57174E-03 ppm1 2.382 ppm2 6.797 CV 1
OR { 851}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HE22))
ASSI { 853}
(( segid " " and resid 21 and name HE22))
(( segid " " and resid 21 and name HE21))
1.600 0.600 0.600 peak 853 spectrum 1 weight 0.10000E+01 volume 0.82793E-01 ppm1 6.804 ppm2 7.475 CV 1
ASSI { 854}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HE22))
6.000 4.800 0.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.829 ppm2 6.694 CV 1
ASSI { 855}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 39 and name HE21))
6.000 4.800 0.000 peak 855 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.831 ppm2 7.318 CV 1
ASSI { 856}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HE21))
6.000 4.800 0.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.242 ppm2 7.320 CV 1
ASSI { 857}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HE21))
6.000 4.800 0.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.159 ppm2 7.318 CV 1
ASSI { 858}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HE21))
6.000 4.800 0.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.875 ppm2 7.318 CV 1
ASSI { 859}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HE21))
6.000 4.800 0.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.704 ppm2 7.318 CV 1
ASSI { 860}
(( segid " " and resid 39 and name HB3 ))
(( segid " " and resid 39 and name HE22))
6.000 4.800 0.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.873 ppm2 6.692 CV 1
ASSI { 861}
(( segid " " and resid 39 and name HG2 ))
(( segid " " and resid 39 and name HE22))
6.000 4.800 0.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.161 ppm2 6.694 CV 1
ASSI { 862}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 39 and name HE22))
6.000 4.800 0.000 peak 862 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.242 ppm2 6.694 CV 1
ASSI { 863}
(( segid " " and resid 39 and name HE22))
(( segid " " and resid 39 and name HE21))
1.600 0.600 0.600 peak 863 spectrum 1 weight 0.10000E+01 volume 0.69121E-01 ppm1 6.698 ppm2 7.318 CV 1
ASSI { 864}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HD21))
6.000 4.800 0.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.713 ppm2 7.525 CV 1
ASSI { 865}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 53 and name HD21))
6.000 4.800 0.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.825 ppm2 7.525 CV 1
ASSI { 866}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HD22))
6.000 4.800 0.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.698 ppm2 6.828 CV 1
ASSI { 867}
(( segid " " and resid 53 and name HB3 ))
(( segid " " and resid 53 and name HD22))
6.000 4.800 0.000 peak 867 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.825 ppm2 6.829 CV 1
ASSI { 868}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HD21))
6.000 4.800 0.000 peak 868 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.777 ppm2 7.525 CV 1
ASSI { 869}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HD22))
6.000 4.800 0.000 peak 869 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.775 ppm2 6.827 CV 1
ASSI { 870}
(( segid " " and resid 53 and name HD22))
(( segid " " and resid 53 and name HD21))
6.000 4.800 0.000 peak 870 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.826 ppm2 7.525 CV 1
ASSI { 872}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HN ))
6.000 4.800 0.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.936 ppm2 8.153 CV 1
ASSI { 873}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB3 ))
3.200 1.600 1.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.46751E-02 ppm1 4.492 ppm2 3.937 CV 1
ASSI { 874}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 38 and name HB2 ))
6.000 4.800 0.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.941 ppm2 3.798 CV 1
ASSI { 875}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB2 ))
6.000 4.800 0.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.496 ppm2 3.799 CV 1
ASSI { 878}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 29 and name HN ))
3.500 1.800 1.800 peak 878 spectrum 1 weight 0.10000E+01 volume 0.43596E-02 ppm1 1.184 ppm2 8.766 CV 1
ASSI { 879}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 29 and name HN ))
6.000 4.800 0.000 peak 879 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.701 ppm2 8.767 CV 1
ASSI { 880}
( segid " " and resid 29 and name HD2%)
( segid " " and resid 29 and name HD1%)
6.000 4.800 0.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.182 ppm2 0.702 CV 1
ASSI { 881}
(( segid " " and resid 29 and name HG ))
( segid " " and resid 29 and name HD1%)
6.000 4.800 0.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.489 ppm2 0.700 CV 1
ASSI { 882}
(( segid " " and resid 29 and name HB2 ))
( segid " " and resid 29 and name HD1%)
6.000 4.800 0.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.697 ppm2 0.703 CV 1
OR { 882}
(( segid " " and resid 29 and name HB3 ))
( segid " " and resid 29 and name HD1%)
ASSI { 886}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HG ))
3.000 1.400 1.400 peak 886 spectrum 1 weight 0.10000E+01 volume 0.49236E-02 ppm1 4.636 ppm2 1.491 CV 1
ASSI { 887}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HD1%)
6.000 4.800 0.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.634 ppm2 0.703 CV 1
ASSI { 888}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HD2%)
6.000 4.800 0.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.636 ppm2 1.176 CV 1
ASSI { 889}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HD3 ))
6.000 4.800 0.000 peak 889 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.790 ppm2 3.647 CV 1
ASSI { 890}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 17 and name HD2 ))
2.200 0.900 0.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.15583E-01 ppm1 4.792 ppm2 3.560 CV 1
ASSI { 891}
(( segid " " and resid 60 and name HG12))
(( segid " " and resid 60 and name HN ))
6.000 4.800 0.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.420 ppm2 8.199 CV 1
ASSI { 892}
(( segid " " and resid 60 and name HG12))
( segid " " and resid 60 and name HD1%)
6.000 4.800 0.000 peak 892 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.418 ppm2 0.701 CV 1
ASSI { 893}
(( segid " " and resid 60 and name HG12))
(( segid " " and resid 60 and name HG13))
6.000 4.800 0.000 peak 893 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.420 ppm2 1.035 CV 1
ASSI { 894}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HG12))
6.000 4.800 0.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.794 ppm2 1.415 CV 1
ASSI { 895}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HG3 ))
6.000 4.800 0.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.821 ppm2 1.220 CV 1
ASSI { 896}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB2 ))
6.000 4.800 0.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.821 ppm2 1.687 CV 1
OR { 896}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB3 ))
ASSI { 897}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HB2 ))
6.000 4.800 0.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.293 ppm2 1.893 CV 1
ASSI { 898}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 63 and name HB% )
2.300 1.000 1.000 peak 898 spectrum 1 weight 0.10000E+01 volume 0.19312E-01 ppm1 3.770 ppm2 1.317 CV 1
ASSI { 899}
( segid " " and resid 35 and name HG1%)
(( segid " " and resid 36 and name HN ))
6.000 4.800 0.000 peak 899 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.849 ppm2 8.612 CV 1
ASSI { 900}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HN ))
1.900 0.800 0.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.32219E-01 ppm1 3.929 ppm2 8.612 CV 1
ASSI { 901}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 36 and name HN ))
6.000 4.800 0.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.837 ppm2 8.612 CV 1
ASSI { 902}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 61 and name HN ))
6.000 4.800 0.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.699 ppm2 8.802 CV 1
ASSI { 903}
( segid " " and resid 60 and name HD1%)
(( segid " " and resid 61 and name HN ))
6.000 4.800 0.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.700 ppm2 8.802 CV 1
ASSI { 904}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 20 and name HN ))
3.600 1.900 1.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.22372E-02 ppm1 1.323 ppm2 9.837 CV 1
ASSI { 905}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 20 and name HN ))
6.000 4.800 0.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.178 ppm2 9.837 CV 1
ASSI { 906}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 19 and name HN ))
4.100 2.400 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.26578E-02 ppm1 0.899 ppm2 9.000 CV 1
ASSI { 907}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 50 and name HN ))
6.000 4.800 0.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.987 ppm2 8.303 CV 1
ASSI { 909}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 48 and name HN ))
2.900 1.300 1.300 peak 909 spectrum 1 weight 0.10000E+01 volume 0.39772E-02 ppm1 3.150 ppm2 8.223 CV 1
ASSI { 910}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 20 and name HN ))
3.300 1.600 1.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.30785E-02 ppm1 3.689 ppm2 9.837 CV 1
OR { 910}
(( segid " " and resid 43 and name HB3 ))
(( segid " " and resid 20 and name HN ))
ASSI { 911}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 38 and name HN ))
4.100 2.400 1.900 peak 911 spectrum 1 weight 0.10000E+01 volume 0.28395E-02 ppm1 3.362 ppm2 8.147 CV 1
ASSI { 912}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HN ))
2.500 1.100 1.100 peak 912 spectrum 1 weight 0.10000E+01 volume 0.95603E-02 ppm1 7.133 ppm2 9.375 CV 1
ASSI { 914}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 20 and name HN ))
3.100 1.500 1.500 peak 914 spectrum 1 weight 0.10000E+01 volume 0.38624E-02 ppm1 8.326 ppm2 9.836 CV 1
ASSI { 915}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 59 and name HN ))
3.600 1.900 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.18165E-02 ppm1 8.788 ppm2 8.461 CV 1
ASSI { 917}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 16 and name HN ))
3.200 1.600 1.600 peak 917 spectrum 1 weight 0.10000E+01 volume 0.28108E-02 ppm1 6.528 ppm2 8.651 CV 1
ASSI { 918}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 34 and name HN ))
3.900 2.200 2.100 peak 918 spectrum 1 weight 0.10000E+01 volume 0.22467E-02 ppm1 0.613 ppm2 8.087 CV 1
ASSI { 919}
( segid " " and resid 12 and name HG2%)
(( segid " " and resid 15 and name HN ))
4.600 2.900 1.400 peak 919 spectrum 1 weight 0.10000E+01 volume 0.16348E-02 ppm1 0.798 ppm2 7.971 CV 1
ASSI { 920}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 15 and name HN ))
6.000 4.800 0.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.242 ppm2 7.972 CV 1
ASSI { 921}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 34 and name HN ))
4.700 3.000 1.300 peak 921 spectrum 1 weight 0.10000E+01 volume 0.10039E-02 ppm1 1.611 ppm2 8.087 CV 1
ASSI { 922}
(( segid " " and resid 24 and name HA ))
(( segid " " and resid 26 and name HN ))
4.500 2.800 1.500 peak 922 spectrum 1 weight 0.10000E+01 volume 0.11951E-02 ppm1 4.252 ppm2 7.870 CV 1
ASSI { 925}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 6 and name HN ))
3.700 2.000 2.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.13194E-02 ppm1 7.560 ppm2 8.827 CV 1
ASSI { 926}
(( segid " " and resid 56 and name HD21))
(( segid " " and resid 55 and name HN ))
6.000 4.800 0.000 peak 926 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.533 ppm2 8.352 CV 1
ASSI { 929}
( segid " " and resid 67 and name HG2%)
( segid " " and resid 15 and name HD% )
6.000 4.800 0.000 peak 929 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.804 ppm2 6.880 CV 1
ASSI { 931}
( segid " " and resid 33 and name HG2%)
( segid " " and resid 18 and name HD% )
6.000 4.800 0.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.908 ppm2 6.728 CV 1
ASSI { 933}
(( segid " " and resid 48 and name HG2 ))
( segid " " and resid 15 and name HD% )
6.000 4.800 0.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.989 ppm2 6.877 CV 1
ASSI { 934}
(( segid " " and resid 48 and name HG2 ))
( segid " " and resid 15 and name HE% )
6.000 4.800 0.000 peak 934 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.990 ppm2 6.669 CV 1
ASSI { 935}
(( segid " " and resid 48 and name HB3 ))
( segid " " and resid 15 and name HD% )
6.000 4.800 0.000 peak 935 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.410 ppm2 6.880 CV 1
ASSI { 936}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 18 and name HD% )
6.000 4.800 0.000 peak 936 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.380 ppm2 6.730 CV 1
ASSI { 937}
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 15 and name HE% )
2.800 1.300 1.300 peak 937 spectrum 1 weight 0.10000E+01 volume 0.57265E-02 ppm1 1.414 ppm2 6.669 CV 1
OR { 937}
(( segid " " and resid 48 and name HB3 ))
( segid " " and resid 15 and name HE% )
ASSI { 938}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 18 and name HE% )
6.000 4.800 0.000 peak 938 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.380 ppm2 6.523 CV 1
ASSI { 939}
(( segid " " and resid 16 and name HG3 ))
( segid " " and resid 18 and name HE% )
2.400 1.000 1.000 peak 939 spectrum 1 weight 0.10000E+01 volume 0.93024E-02 ppm1 1.630 ppm2 6.523 CV 1
ASSI { 940}
(( segid " " and resid 16 and name HB3 ))
( segid " " and resid 18 and name HE% )
4.500 2.800 1.500 peak 940 spectrum 1 weight 0.10000E+01 volume 0.68263E-03 ppm1 1.743 ppm2 6.523 CV 1
OR { 940}
(( segid " " and resid 16 and name HB2 ))
( segid " " and resid 18 and name HE% )
ASSI { 942}
(( segid " " and resid 48 and name HE2 ))
( segid " " and resid 15 and name HE% )
6.000 4.800 0.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.816 ppm2 6.667 CV 1
ASSI { 943}
(( segid " " and resid 47 and name HB3 ))
( segid " " and resid 18 and name HD% )
3.000 1.400 1.400 peak 943 spectrum 1 weight 0.10000E+01 volume 0.10421E-01 ppm1 2.983 ppm2 6.729 CV 1
ASSI { 945}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 18 and name HD% )
2.400 1.000 1.000 peak 945 spectrum 1 weight 0.10000E+01 volume 0.12428E-01 ppm1 3.370 ppm2 6.728 CV 1
ASSI { 946}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 18 and name HE% )
2.900 1.400 1.400 peak 946 spectrum 1 weight 0.10000E+01 volume 0.42640E-02 ppm1 3.370 ppm2 6.521 CV 1
ASSI { 947}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 15 and name HD% )
3.100 1.500 1.500 peak 947 spectrum 1 weight 0.10000E+01 volume 0.28777E-02 ppm1 4.021 ppm2 6.879 CV 1
ASSI { 948}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 18 and name HD% )
3.400 1.800 1.800 peak 948 spectrum 1 weight 0.10000E+01 volume 0.23423E-02 ppm1 5.204 ppm2 6.728 CV 1
ASSI { 949}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 18 and name HD% )
3.400 1.800 1.800 peak 949 spectrum 1 weight 0.10000E+01 volume 0.23519E-02 ppm1 5.497 ppm2 6.728 CV 1
ASSI { 952}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 15 and name HE% )
3.300 1.600 1.600 peak 952 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 8.745 ppm2 6.667 CV 1
ASSI { 953}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 18 and name HD% )
3.300 1.700 1.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.32984E-02 ppm1 9.011 ppm2 6.731 CV 1
ASSI { 958}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 66 and name HA ))
4.300 2.600 1.700 peak 958 spectrum 1 weight 0.10000E+01 volume 0.92735E-03 ppm1 6.884 ppm2 5.619 CV 1
ASSI { 959}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 66 and name HA ))
3.400 1.700 1.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.22372E-02 ppm1 6.671 ppm2 5.617 CV 1
ASSI { 960}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HA ))
3.100 1.500 1.500 peak 960 spectrum 1 weight 0.10000E+01 volume 0.46081E-02 ppm1 1.939 ppm2 5.204 CV 1
ASSI { 962}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HB ))
3.800 2.100 2.100 peak 962 spectrum 1 weight 0.10000E+01 volume 0.12811E-02 ppm1 8.198 ppm2 4.126 CV 1
ASSI { 964}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB3 ))
3.000 1.400 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.16157E-01 ppm1 7.978 ppm2 3.094 CV 1
ASSI { 966}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 48 and name HA ))
3.400 1.800 1.800 peak 966 spectrum 1 weight 0.10000E+01 volume 0.17687E-02 ppm1 4.637 ppm2 4.016 CV 1
ASSI { 967}
(( segid " " and resid 6 and name HA2 ))
(( segid " " and resid 7 and name HD3 ))
6.000 4.800 0.000 peak 967 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.650 ppm2 3.684 CV 1
ASSI { 968}
(( segid " " and resid 6 and name HA1 ))
(( segid " " and resid 7 and name HD2 ))
2.500 1.100 1.100 peak 968 spectrum 1 weight 0.10000E+01 volume 0.71893E-02 ppm1 3.951 ppm2 3.477 CV 1
ASSI { 974}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HG2 ))
1.900 0.800 0.800 peak 974 spectrum 1 weight 0.10000E+01 volume 0.12238E-01 ppm1 1.618 ppm2 2.172 CV 1
ASSI { 976}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG2 ))
3.000 1.400 1.400 peak 976 spectrum 1 weight 0.10000E+01 volume 0.55453E-02 ppm1 8.569 ppm2 2.417 CV 1
OR { 976}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG3 ))
ASSI { 977}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB2 ))
2.300 1.000 1.000 peak 977 spectrum 1 weight 0.10000E+01 volume 0.14340E-01 ppm1 8.983 ppm2 2.560 CV 1
ASSI { 978}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB2 ))
2.300 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.14914E-01 ppm1 8.697 ppm2 2.742 CV 1
OR { 978}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB3 ))
ASSI { 979}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB3 ))
3.100 1.500 1.500 peak 979 spectrum 1 weight 0.10000E+01 volume 0.70938E-02 ppm1 9.513 ppm2 2.979 CV 1
ASSI { 980}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG3 ))
4.800 3.200 1.200 peak 980 spectrum 1 weight 0.10000E+01 volume 0.17018E-02 ppm1 9.480 ppm2 1.611 CV 1
ASSI { 983}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 16 and name HB2 ))
3.200 1.600 1.600 peak 983 spectrum 1 weight 0.10000E+01 volume 0.22180E-02 ppm1 6.527 ppm2 1.741 CV 1
ASSI { 984}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 35 and name HB ))
2.400 1.000 1.000 peak 984 spectrum 1 weight 0.10000E+01 volume 0.80118E-02 ppm1 3.807 ppm2 1.834 CV 1
ASSI { 985}
( segid " " and resid 9 and name HG2%)
( segid " " and resid 5 and name HG2%)
3.200 1.600 1.600 peak 985 spectrum 1 weight 0.10000E+01 volume 0.44074E-02 ppm1 1.218 ppm2 0.633 CV 1
ASSI { 989}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 5 and name HG2%)
2.500 1.100 1.100 peak 989 spectrum 1 weight 0.10000E+01 volume 0.10421E-01 ppm1 3.360 ppm2 0.633 CV 1
ASSI { 992}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 36 and name HG12))
3.300 1.600 1.600 peak 992 spectrum 1 weight 0.10000E+01 volume 0.47133E-02 ppm1 4.257 ppm2 0.743 CV 1
ASSI { 995}
( segid " " and resid 15 and name HD% )
( segid " " and resid 67 and name HG1%)
3.400 1.800 1.800 peak 995 spectrum 1 weight 0.10000E+01 volume 0.27247E-02 ppm1 6.881 ppm2 0.647 CV 1
ASSI { 997}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB2 ))
6.000 4.800 0.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.223 ppm2 1.398 CV 1
OR { 997}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB3 ))
ASSI { 998}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 60 and name HG2%)
3.600 1.900 1.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.28968E-02 ppm1 8.197 ppm2 0.699 CV 1
ASSI { 1002}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 5 and name HG2%)
3.200 1.600 1.600 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.36139E-02 ppm1 3.923 ppm2 0.635 CV 1
ASSI { 1004}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 15 and name HB2 ))
2.200 0.900 0.900 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.15870E-01 ppm1 6.881 ppm2 2.390 CV 1
ASSI { 1005}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 37 and name HA1 ))
3.500 1.900 1.900 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.15966E-02 ppm1 0.955 ppm2 3.524 CV 1
ASSI { 1006}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 65 and name HB3 ))
6.000 4.800 0.000 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.017 ppm2 3.147 CV 1
ASSI { 1007}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 11 and name HN ))
6.000 4.800 0.000 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.241 ppm2 8.487 CV 1
ASSI { 1008}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 11 and name HN ))
6.000 4.800 0.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.268 ppm2 8.487 CV 1
ASSI { 1011}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 18 and name HE% )
5.000 3.400 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.58509E-03 ppm1 5.494 ppm2 6.525 CV 1
ASSI { 1015}
( segid " " and resid 15 and name HD% )
( segid " " and resid 12 and name HD1%)
4.100 2.400 1.900 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.95603E-03 ppm1 6.883 ppm2 0.455 CV 1
ASSI { 1017}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 12 and name HB ))
6.000 4.800 0.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.880 ppm2 1.266 CV 1
ASSI { 1018}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 12 and name HG13))
6.000 4.800 0.000 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.882 ppm2 1.242 CV 1
ASSI { 1019}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 15 and name HN ))
6.000 4.800 0.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.268 ppm2 7.968 CV 1
ASSI { 1020}
( segid " " and resid 15 and name HE% )
( segid " " and resid 67 and name HG1%)
2.700 1.200 1.200 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.75239E-02 ppm1 6.670 ppm2 0.646 CV 1
ASSI { 1021}
( segid " " and resid 15 and name HE% )
( segid " " and resid 67 and name HG2%)
3.000 1.500 1.500 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.46751E-02 ppm1 6.672 ppm2 0.797 CV 1
ASSI { 1022}
( segid " " and resid 15 and name HE% )
( segid " " and resid 12 and name HD1%)
3.400 1.700 1.700 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.79732E-03 ppm1 6.670 ppm2 0.456 CV 1
ASSI { 1023}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HN ))
4.300 2.600 1.700 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.70080E-03 ppm1 8.980 ppm2 8.428 CV 1
ASSI { 1024}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 9 and name HN ))
4.600 3.000 1.400 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.38051E-03 ppm1 4.255 ppm2 7.557 CV 1
ASSI { 1025}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 65 and name HB3 ))
6.000 4.800 0.000 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.986 ppm2 3.146 CV 1
ASSI { 1026}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HN ))
4.800 3.200 1.200 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.57078E-03 ppm1 8.226 ppm2 9.515 CV 1
ASSI { 1027}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 18 and name HN ))
4.600 2.900 1.400 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.43500E-03 ppm1 8.094 ppm2 9.473 CV 1
ASSI { 1028}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 18 and name HN ))
5.800 4.400 0.200 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.14150E-03 ppm1 3.371 ppm2 9.476 CV 1
ASSI { 1030}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 18 and name HN ))
5.800 4.500 0.200 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.32888E-03 ppm1 2.166 ppm2 9.473 CV 1
ASSI { 1031}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HN ))
5.100 3.500 0.900 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.49906E-03 ppm1 8.902 ppm2 9.843 CV 1
ASSI { 1032}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 20 and name HN ))
5.100 3.500 0.900 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.37764E-03 ppm1 8.784 ppm2 9.838 CV 1
ASSI { 1033}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 20 and name HN ))
6.000 4.800 0.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.136 ppm2 9.838 CV 1
ASSI { 1034}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 20 and name HN ))
4.600 2.900 1.400 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.76386E-03 ppm1 3.011 ppm2 9.838 CV 1
ASSI { 1035}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 20 and name HN ))
5.200 3.700 0.800 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.32506E-03 ppm1 2.572 ppm2 9.838 CV 1
ASSI { 1036}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 37 and name HN ))
5.100 3.600 0.900 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.34131E-03 ppm1 3.832 ppm2 9.035 CV 1
ASSI { 1038}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 37 and name HN ))
6.000 4.800 0.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.605 ppm2 9.038 CV 1
ASSI { 1040}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 19 and name HN ))
6.000 4.800 0.000 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.043 ppm2 9.001 CV 1
ASSI { 1041}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 19 and name HN ))
6.000 4.800 0.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.183 ppm2 9.002 CV 1
ASSI { 1042}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 40 and name HN ))
6.000 4.800 0.000 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.396 ppm2 8.971 CV 1
ASSI { 1043}
(( segid " " and resid 39 and name HG3 ))
(( segid " " and resid 40 and name HN ))
6.000 5.300 0.000 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.16635E-03 ppm1 2.239 ppm2 8.970 CV 1
ASSI { 1047}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 6 and name HN ))
6.000 4.800 0.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.685 ppm2 8.828 CV 1
ASSI { 1048}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 6 and name HN ))
6.000 4.800 0.000 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.479 ppm2 8.828 CV 1
ASSI { 1049}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 11 and name HN ))
6.000 4.800 0.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.127 ppm2 8.485 CV 1
ASSI { 1053}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 34 and name HN ))
6.000 4.800 0.000 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.935 ppm2 8.088 CV 1
ASSI { 1054}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 12 and name HN ))
6.000 4.800 0.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.102 ppm2 7.389 CV 1
ASSI { 1055}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 15 and name HN ))
3.700 2.000 2.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.11568E-02 ppm1 7.396 ppm2 7.965 CV 1
ASSI { 1057}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 66 and name HN ))
6.000 4.800 0.000 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.675 ppm2 7.698 CV 1
ASSI { 1059}
(( segid " " and resid 65 and name HA ))
( segid " " and resid 15 and name HE% )
6.000 4.800 0.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.848 ppm2 6.669 CV 1
ASSI { 1060}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 39 and name HE21))
4.200 2.500 1.800 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.66348E-03 ppm1 0.958 ppm2 7.318 CV 1
ASSI { 1061}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 39 and name HE22))
6.000 4.800 0.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.956 ppm2 6.694 CV 1
ASSI { 1064}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 12 and name HN ))
6.000 4.800 0.000 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.893 ppm2 7.389 CV 1
ASSI { 1065}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 51 and name HN ))
6.000 5.000 0.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.21416E-03 ppm1 4.579 ppm2 7.789 CV 1
ASSI { 1066}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 15 and name HE% )
4.900 3.300 1.100 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.50192E-03 ppm1 4.021 ppm2 6.668 CV 1
ASSI { 1067}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 18 and name HE% )
6.000 4.800 0.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.23328E-03 ppm1 9.010 ppm2 6.524 CV 1
ASSI { 1068}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 18 and name HD% )
3.800 2.100 2.100 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.14245E-02 ppm1 5.660 ppm2 6.731 CV 1
ASSI { 1073}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 20 and name HA ))
4.400 2.700 1.600 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.82697E-03 ppm1 2.380 ppm2 5.597 CV 1
OR { 1073}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 20 and name HA ))
ASSI { 1075}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 47 and name HA ))
6.000 4.800 0.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.023 ppm2 5.676 CV 1
ASSI { 1077}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HB3 ))
4.300 2.600 1.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.96563E-03 ppm1 7.700 ppm2 3.145 CV 1
ASSI { 1079}
(( segid " " and resid 9 and name HB ))
(( segid " " and resid 17 and name HG2 ))
5.500 4.100 0.500 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.48376E-03 ppm1 3.916 ppm2 2.171 CV 1
ASSI { 1080}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 17 and name HG2 ))
6.000 4.800 0.000 peak 1080 spectrum 1 weight 0.11000E+01 volume 0.00000E+00 ppm1 4.042 ppm2 2.170 CV 1
ASSI { 1081}
(( segid " " and resid 9 and name HB ))
(( segid " " and resid 17 and name HG3 ))
4.600 2.900 1.400 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.38911E-03 ppm1 3.919 ppm2 1.610 CV 1
ASSI { 1082}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 17 and name HG3 ))
4.300 2.600 1.700 peak 1082 spectrum 1 weight 0.11000E+01 volume 0.86429E-03 ppm1 4.042 ppm2 1.610 CV 1
ASSI { 1083}
(( segid " " and resid 45 and name HG3 ))
(( segid " " and resid 20 and name HN ))
6.000 4.800 0.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.215 ppm2 9.839 CV 1
ASSI { 1084}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HG2 ))
5.200 3.700 0.800 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.47898E-03 ppm1 4.465 ppm2 2.418 CV 1
OR { 1084}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HG3 ))
ASSI { 1085}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HB3 ))
3.400 1.700 1.700 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.22180E-02 ppm1 8.980 ppm2 1.864 CV 1
ASSI { 1086}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 61 and name HA ))
5.400 4.000 0.600 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.35565E-03 ppm1 -0.022 ppm2 4.150 CV 1
ASSI { 1089}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB3 ))
3.600 1.900 1.900 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.27725E-02 ppm1 8.973 ppm2 2.925 CV 1
ASSI { 1090}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 18 and name HE% )
6.000 6.000 0.000 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.49236E-04 ppm1 4.789 ppm2 6.525 CV 1
ASSI { 1091}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 66 and name HA ))
5.000 3.500 1.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.60901E-03 ppm1 4.250 ppm2 5.621 CV 1
ASSI { 1095}
(( segid " " and resid 5 and name HG13))
(( segid " " and resid 5 and name HA ))
3.000 1.400 1.400 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.40728E-02 ppm1 1.036 ppm2 3.830 CV 1
ASSI { 1096}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 18 and name HD% )
6.000 4.800 0.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.404 ppm2 6.728 CV 1
ASSI { 1097}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 7 and name HD2 ))
2.900 1.300 1.300 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.50960E-02 ppm1 0.803 ppm2 3.478 CV 1
ASSI { 1098}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 5 and name HB ))
3.100 1.500 1.500 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.34705E-02 ppm1 9.032 ppm2 1.960 CV 1
ASSI { 1099}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 5 and name HB ))
3.300 1.700 1.700 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.23614E-02 ppm1 3.359 ppm2 1.957 CV 1
ASSI { 1101}
(( segid " " and resid 48 and name HG3 ))
( segid " " and resid 15 and name HD% )
6.000 4.800 0.000 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.019 ppm2 6.879 CV 1
ASSI { 1102}
(( segid " " and resid 48 and name HG3 ))
( segid " " and resid 15 and name HE% )
6.000 4.800 0.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.019 ppm2 6.669 CV 1
ASSI { 1105}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 15 and name HE% )
6.000 4.800 0.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.516 ppm2 6.669 CV 1
ASSI { 1106}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 12 and name HB ))
6.000 4.800 0.000 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.670 ppm2 1.267 CV 1
ASSI { 1107}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 12 and name HG13))
6.000 4.800 0.000 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.672 ppm2 1.241 CV 1
ASSI { 1112}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 48 and name HB2 ))
6.000 4.800 0.000 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.881 ppm2 1.399 CV 1
OR { 1112}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 48 and name HB3 ))
ASSI { 1115}
(( segid " " and resid 67 and name HB ))
( segid " " and resid 15 and name HE% )
6.000 4.800 0.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.062 ppm2 6.669 CV 1
ASSI { 1117}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 15 and name HB2 ))
3.300 1.700 1.700 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.91110E-02 ppm1 6.673 ppm2 2.389 CV 1
ASSI { 1118}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 15 and name HB3 ))
4.100 2.400 1.900 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.56027E-03 ppm1 9.513 ppm2 3.093 CV 1
ASSI { 1119}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 15 and name HB2 ))
3.300 1.700 1.700 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.87287E-03 ppm1 9.513 ppm2 2.390 CV 1
ASSI { 1120}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 18 and name HE% )
6.000 4.800 0.000 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.479 ppm2 6.523 CV 1
ASSI { 1121}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 18 and name HE% )
6.000 4.800 0.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.089 ppm2 6.520 CV 1
ASSI { 1122}
(( segid " " and resid 31 and name HA ))
( segid " " and resid 18 and name HE% )
4.900 3.300 1.100 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.48280E-03 ppm1 5.671 ppm2 6.522 CV 1
ASSI { 1123}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 18 and name HE% )
4.700 3.100 1.300 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.57078E-03 ppm1 5.201 ppm2 6.523 CV 1
ASSI { 1124}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 18 and name HD% )
6.000 4.800 0.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.791 ppm2 6.728 CV 1
ASSI { 1126}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 18 and name HE% )
6.000 4.800 0.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.405 ppm2 6.521 CV 1
ASSI { 1127}
( segid " " and resid 59 and name HD1%)
( segid " " and resid 18 and name HD% )
6.000 4.800 0.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.748 ppm2 6.729 CV 1
ASSI { 1128}
( segid " " and resid 59 and name HD2%)
( segid " " and resid 18 and name HD% )
6.000 4.800 0.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.775 ppm2 6.729 CV 1
ASSI { 1129}
( segid " " and resid 59 and name HD1%)
( segid " " and resid 18 and name HE% )
6.000 4.800 0.000 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.748 ppm2 6.523 CV 1
ASSI { 1131}
(( segid " " and resid 48 and name HG2 ))
(( segid " " and resid 49 and name HN ))
6.000 4.800 0.000 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.987 ppm2 8.374 CV 1
ASSI { 1132}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 50 and name HN ))
6.000 4.800 0.000 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.019 ppm2 8.303 CV 1
ASSI { 1137}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HA ))
3.600 1.900 1.900 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.13384E-02 ppm1 8.232 ppm2 4.018 CV 1
ASSI { 1139}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 30 and name HN ))
6.000 4.800 0.000 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.698 ppm2 8.580 CV 1
ASSI { 1140}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 6 and name HN ))
4.000 2.300 2.000 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.83464E-03 ppm1 1.212 ppm2 8.827 CV 1
ASSI { 1141}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 51 and name HG1%)
2.700 1.200 1.200 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.98472E-02 ppm1 4.194 ppm2 0.818 CV 1
OR { 1141}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 51 and name HG2%)
ASSI { 1142}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 19 and name HB3 ))
4.300 2.600 1.700 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.14340E-02 ppm1 2.180 ppm2 3.005 CV 1
ASSI { 1143}
(( segid " " and resid 34 and name HA2 ))
( segid " " and resid 5 and name HG2%)
6.000 4.800 0.000 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.045 ppm2 0.633 CV 1
ASSI { 1144}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 5 and name HD1%)
6.000 4.800 0.000 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.925 ppm2 0.603 CV 1
ASSI { 1145}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HG12))
4.600 2.900 1.400 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.41110E-02 ppm1 3.925 ppm2 0.746 CV 1
ASSI { 1146}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 5 and name HD1%)
6.000 4.800 0.000 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.362 ppm2 0.602 CV 1
ASSI { 1147}
(( segid " " and resid 17 and name HG3 ))
( segid " " and resid 5 and name HD1%)
6.000 4.800 0.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.620 ppm2 0.603 CV 1
ASSI { 1148}
(( segid " " and resid 17 and name HG3 ))
( segid " " and resid 5 and name HG2%)
6.000 4.800 0.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.617 ppm2 0.633 CV 1
ASSI { 1149}
( segid " " and resid 9 and name HG2%)
( segid " " and resid 5 and name HD1%)
6.000 4.800 0.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.218 ppm2 0.602 CV 1
ASSI { 1150}
(( segid " " and resid 45 and name HG3 ))
( segid " " and resid 44 and name HG1%)
6.000 4.800 0.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.218 ppm2 0.759 CV 1
ASSI { 1151}
( segid " " and resid 36 and name HD1%)
( segid " " and resid 5 and name HG2%)
4.000 2.300 2.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.28395E-03 ppm1 1.499 ppm2 0.633 CV 1
ASSI { 1152}
( segid " " and resid 59 and name HD1%)
( segid " " and resid 61 and name HD1%)
6.000 4.800 0.000 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.750 ppm2 -0.025 CV 1
ASSI { 1153}
( segid " " and resid 59 and name HD2%)
( segid " " and resid 61 and name HD1%)
6.000 4.800 0.000 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.775 ppm2 -0.025 CV 1
ASSI { 1155}
(( segid " " and resid 6 and name HA2 ))
(( segid " " and resid 7 and name HD2 ))
4.400 2.700 1.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.67496E-03 ppm1 4.647 ppm2 3.476 CV 1
ASSI { 1156}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 23 and name HE% )
6.000 4.800 0.000 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.632 ppm2 0.684 CV 1
ASSI { 1157}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 23 and name HE% )
3.000 1.400 1.400 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.66734E-02 ppm1 4.462 ppm2 0.684 CV 1
ASSI { 1158}
(( segid " " and resid 22 and name HB2 ))
( segid " " and resid 23 and name HE% )
6.000 4.800 0.000 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.783 ppm2 0.684 CV 1
OR { 1158}
(( segid " " and resid 22 and name HB3 ))
( segid " " and resid 23 and name HE% )
ASSI { 1159}
( segid " " and resid 23 and name HE% )
(( segid " " and resid 24 and name HN ))
6.000 4.800 0.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.683 ppm2 8.530 CV 1
ASSI { 1160}
( segid " " and resid 23 and name HE% )
(( segid " " and resid 23 and name HN ))
6.000 4.800 0.000 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.684 ppm2 8.565 CV 1
ASSI { 1161}
( segid " " and resid 18 and name HE% )
( segid " " and resid 59 and name HD2%)
3.200 1.600 1.600 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.32123E-02 ppm1 6.528 ppm2 0.786 CV 1
ASSI { 1166}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 36 and name HN ))
6.000 4.800 0.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.868 ppm2 8.611 CV 1
ASSI { 1167}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 35 and name HN ))
6.000 4.800 0.000 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.872 ppm2 7.783 CV 1
ASSI { 1168}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 35 and name HA ))
6.000 4.800 0.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.872 ppm2 3.922 CV 1
ASSI { 1170}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 35 and name HB ))
6.000 4.800 0.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.872 ppm2 1.834 CV 1
ASSI { 1174}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 35 and name HN ))
6.000 4.800 0.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.641 ppm2 7.781 CV 1
ASSI { 1175}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB2 ))
3.100 1.500 1.500 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.28586E-02 ppm1 8.150 ppm2 3.798 CV 1
ASSI { 1176}
( segid " " and resid 35 and name HG1%)
(( segid " " and resid 38 and name HB2 ))
6.000 4.800 0.000 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.848 ppm2 3.798 CV 1
ASSI { 1177}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 38 and name HB2 ))
6.000 4.800 0.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.875 ppm2 3.798 CV 1
ASSI { 1178}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB2 ))
3.900 2.200 2.100 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.29351E-02 ppm1 8.429 ppm2 3.798 CV 1
ASSI { 1179}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA1 ))
2.400 1.000 1.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.15106E-01 ppm1 8.729 ppm2 3.761 CV 1
ASSI { 1180}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 41 and name HN ))
4.800 3.200 1.200 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.98472E-03 ppm1 1.325 ppm2 9.373 CV 1
ASSI { 1182}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 40 and name HN ))
3.900 2.200 2.100 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.15010E-02 ppm1 1.230 ppm2 8.972 CV 1
ASSI { 1183}
( segid " " and resid 51 and name HG2%)
(( segid " " and resid 50 and name HN ))
2.900 1.300 1.300 peak 1183 spectrum 1 weight 0.11000E+01 volume 0.21702E-02 ppm1 0.822 ppm2 8.305 CV 1
OR { 1183}
( segid " " and resid 51 and name HG1%)
(( segid " " and resid 50 and name HN ))
ASSI { 1184}
(( segid " " and resid 29 and name HB3 ))
(( segid " " and resid 61 and name HN ))
6.000 4.800 0.000 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.698 ppm2 8.800 CV 1
OR { 1184}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 61 and name HN ))
ASSI { 1187}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 40 and name HN ))
3.400 1.800 1.800 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 3.936 ppm2 8.972 CV 1
ASSI { 1189}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 47 and name HN ))
3.000 1.400 1.400 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.38815E-02 ppm1 6.526 ppm2 9.513 CV 1
ASSI { 1190}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 47 and name HN ))
2.700 1.200 1.200 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.64724E-02 ppm1 6.736 ppm2 9.513 CV 1
ASSI { 1191}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 47 and name HN ))
3.500 1.800 1.800 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.17305E-02 ppm1 6.879 ppm2 9.511 CV 1
ASSI { 1192}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 47 and name HN ))
2.700 1.200 1.200 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.68933E-02 ppm1 8.658 ppm2 9.511 CV 1
ASSI { 1193}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 40 and name HN ))
3.000 1.400 1.400 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.39485E-02 ppm1 8.144 ppm2 8.972 CV 1
ASSI { 1194}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 19 and name HN ))
2.700 1.200 1.200 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.58799E-02 ppm1 8.364 ppm2 9.002 CV 1
ASSI { 1202}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 67 and name HN ))
3.500 1.800 1.800 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.20746E-02 ppm1 6.874 ppm2 8.740 CV 1
ASSI { 1206}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 38 and name HN ))
6.000 4.800 0.000 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.646 ppm2 8.149 CV 1
ASSI { 1207}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 43 and name HN ))
6.000 4.800 0.000 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.324 ppm2 8.320 CV 1
ASSI { 1208}
(( segid " " and resid 5 and name HB ))
(( segid " " and resid 38 and name HN ))
2.800 1.300 1.300 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.47803E-02 ppm1 1.958 ppm2 8.145 CV 1
ASSI { 1209}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 3 and name HN ))
4.100 2.400 1.900 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.93405E-03 ppm1 2.564 ppm2 8.140 CV 1
ASSI { 1210}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 15 and name HN ))
6.000 6.000 0.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.12238E-04 ppm1 2.740 ppm2 7.969 CV 1
OR { 1210}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 15 and name HN ))
ASSI { 1211}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 34 and name HN ))
2.600 1.200 1.200 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.95603E-02 ppm1 4.655 ppm2 8.085 CV 1
ASSI { 1213}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 34 and name HN ))
4.000 2.300 2.000 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.12620E-02 ppm1 6.731 ppm2 8.088 CV 1
ASSI { 1215}
(( segid " " and resid 65 and name HD21))
(( segid " " and resid 65 and name HN ))
4.000 2.300 2.000 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.11568E-02 ppm1 7.375 ppm2 8.147 CV 1
ASSI { 1218}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HN ))
3.400 1.700 1.700 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.32410E-02 ppm1 8.438 ppm2 7.870 CV 1
ASSI { 1219}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
2.800 1.300 1.300 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.59946E-02 ppm1 8.734 ppm2 7.868 CV 1
ASSI { 1221}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 34 and name HN ))
4.900 3.400 1.100 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.36903E-03 ppm1 9.007 ppm2 8.087 CV 1
ASSI { 1224}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HN ))
3.700 2.000 2.000 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.33653E-02 ppm1 8.746 ppm2 7.696 CV 1
ASSI { 1226}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HN ))
4.400 2.700 1.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.92831E-03 ppm1 8.618 ppm2 7.782 CV 1
ASSI { 1227}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HD21))
4.300 2.600 1.700 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 8.606 ppm2 7.368 CV 1
ASSI { 1230}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 66 and name HN ))
4.400 2.700 1.600 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.11377E-02 ppm1 8.356 ppm2 7.700 CV 1
ASSI { 1231}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 66 and name HN ))
2.400 1.000 1.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.12715E-01 ppm1 8.152 ppm2 7.698 CV 1
ASSI { 1233}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HN ))
3.200 1.600 1.600 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.25431E-02 ppm1 8.324 ppm2 7.129 CV 1
ASSI { 1234}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 42 and name HN ))
4.400 2.800 1.600 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.21416E-02 ppm1 4.986 ppm2 7.128 CV 1
ASSI { 1235}
(( segid " " and resid 41 and name HA2 ))
(( segid " " and resid 42 and name HN ))
3.100 1.500 1.500 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.46081E-02 ppm1 4.325 ppm2 7.129 CV 1
ASSI { 1236}
(( segid " " and resid 64 and name HA ))
(( segid " " and resid 66 and name HN ))
3.300 1.600 1.600 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.43692E-02 ppm1 4.208 ppm2 7.695 CV 1
ASSI { 1237}
(( segid " " and resid 41 and name HA1 ))
(( segid " " and resid 42 and name HN ))
3.300 1.700 1.700 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.41684E-02 ppm1 3.673 ppm2 7.129 CV 1
ASSI { 1238}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 66 and name HN ))
3.900 2.200 2.100 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.15201E-02 ppm1 3.770 ppm2 7.695 CV 1
ASSI { 1239}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 35 and name HN ))
4.300 2.600 1.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.93882E-03 ppm1 3.804 ppm2 7.785 CV 1
ASSI { 1240}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 12 and name HN ))
3.600 1.900 1.900 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.17974E-02 ppm1 2.958 ppm2 7.391 CV 1
ASSI { 1241}
( segid " " and resid 64 and name HB% )
(( segid " " and resid 66 and name HN ))
4.200 2.500 1.800 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.23519E-02 ppm1 1.321 ppm2 7.698 CV 1
ASSI { 1248}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 18 and name HD% )
2.600 1.100 1.100 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.72756E-02 ppm1 2.834 ppm2 6.729 CV 1
ASSI { 1249}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 15 and name HE% )
4.400 2.700 1.600 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.53442E-03 ppm1 2.743 ppm2 6.669 CV 1
OR { 1249}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 15 and name HE% )
ASSI { 1250}
(( segid " " and resid 31 and name HB3 ))
( segid " " and resid 18 and name HE% )
5.100 3.600 0.900 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.21989E-03 ppm1 2.830 ppm2 6.522 CV 1
ASSI { 1253}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 15 and name HD% )
2.600 1.200 1.200 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.91587E-02 ppm1 7.974 ppm2 6.878 CV 1
ASSI { 1254}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 15 and name HD% )
3.200 1.600 1.600 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.31932E-02 ppm1 8.230 ppm2 6.879 CV 1
ASSI { 1255}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 15 and name HE% )
3.300 1.700 1.700 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.23519E-02 ppm1 8.230 ppm2 6.665 CV 1
ASSI { 1256}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 18 and name HD% )
3.400 1.800 1.800 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.14627E-02 ppm1 8.366 ppm2 6.728 CV 1
ASSI { 1263}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 31 and name HA ))
3.400 1.700 1.700 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.33462E-02 ppm1 8.903 ppm2 5.659 CV 1
ASSI { 1265}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HA ))
2.400 1.000 1.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.12333E-01 ppm1 8.744 ppm2 5.619 CV 1
ASSI { 1269}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 47 and name HA ))
2.900 1.300 1.300 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.39198E-02 ppm1 6.882 ppm2 5.675 CV 1
ASSI { 1270}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 47 and name HA ))
3.100 1.500 1.500 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.32219E-02 ppm1 6.673 ppm2 5.676 CV 1
ASSI { 1271}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 17 and name HA ))
3.200 1.600 1.600 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.22372E-02 ppm1 5.496 ppm2 5.203 CV 1
ASSI { 1275}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HA ))
2.900 1.300 1.300 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.55260E-02 ppm1 2.721 ppm2 5.359 CV 1
ASSI { 1278}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HA ))
3.500 1.800 1.800 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.14340E-02 ppm1 2.979 ppm2 5.671 CV 1
ASSI { 1279}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HA ))
3.600 1.900 1.900 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.19312E-02 ppm1 2.710 ppm2 5.596 CV 1
ASSI { 1280}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 18 and name HD% )
2.900 1.400 1.400 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.49141E-02 ppm1 -0.021 ppm2 6.729 CV 1
ASSI { 1281}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 18 and name HE% )
2.900 1.400 1.400 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.41588E-02 ppm1 -0.021 ppm2 6.524 CV 1
ASSI { 1282}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 61 and name HA ))
2.700 1.200 1.200 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.82220E-02 ppm1 0.669 ppm2 4.144 CV 1
ASSI { 1286}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HA ))
2.900 1.400 1.400 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.41684E-02 ppm1 8.197 ppm2 4.193 CV 1
ASSI { 1290}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
3.100 1.500 1.500 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.56692E-02 ppm1 8.694 ppm2 4.121 CV 1
ASSI { 1295}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB2 ))
4.200 2.500 1.800 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.10039E-02 ppm1 8.789 ppm2 3.684 CV 1
OR { 1295}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB3 ))
ASSI { 1299}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HA ))
3.000 1.400 1.400 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.47324E-02 ppm1 8.391 ppm2 4.243 CV 1
ASSI { 1313}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 47 and name HB3 ))
2.800 1.300 1.300 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.91399E-02 ppm1 6.528 ppm2 2.980 CV 1
ASSI { 1317}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HD2 ))
2.600 1.100 1.100 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.47516E-02 ppm1 2.172 ppm2 3.566 CV 1
ASSI { 1318}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HD2 ))
3.800 2.100 2.100 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.38146E-02 ppm1 2.293 ppm2 3.478 CV 1
ASSI { 1319}
(( segid " " and resid 34 and name HA1 ))
(( segid " " and resid 33 and name HA ))
4.000 2.300 2.000 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.24857E-02 ppm1 2.731 ppm2 3.368 CV 1
ASSI { 1320}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 43 and name HB2 ))
3.000 1.400 1.400 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.15966E-02 ppm1 2.826 ppm2 3.688 CV 1
OR { 1320}
(( segid " " and resid 45 and name HE3 ))
(( segid " " and resid 43 and name HB3 ))
ASSI { 1322}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 17 and name HD2 ))
3.300 1.700 1.700 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.16157E-02 ppm1 1.745 ppm2 3.562 CV 1
OR { 1322}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 17 and name HD2 ))
ASSI { 1323}
(( segid " " and resid 33 and name HB ))
(( segid " " and resid 33 and name HA ))
3.000 1.400 1.400 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.36426E-02 ppm1 1.832 ppm2 3.375 CV 1
ASSI { 1324}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HD2 ))
3.900 2.200 2.100 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.11759E-02 ppm1 1.625 ppm2 3.560 CV 1
ASSI { 1327}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HD2 ))
3.400 1.700 1.700 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.69598E-02 ppm1 1.895 ppm2 3.561 CV 1
ASSI { 1328}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 15 and name HB3 ))
6.000 4.800 0.000 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.242 ppm2 3.096 CV 1
ASSI { 1330}
( segid " " and resid 33 and name HG2%)
(( segid " " and resid 33 and name HA ))
2.700 1.200 1.200 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.89201E-02 ppm1 0.903 ppm2 3.368 CV 1
ASSI { 1331}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 19 and name HB3 ))
3.000 1.400 1.400 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.12428E-01 ppm1 0.896 ppm2 3.005 CV 1
ASSI { 1333}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 34 and name HA2 ))
2.600 1.100 1.100 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.93694E-02 ppm1 0.610 ppm2 4.042 CV 1
ASSI { 1334}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 47 and name HB3 ))
3.200 1.600 1.600 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.30498E-02 ppm1 -0.023 ppm2 2.978 CV 1
ASSI { 1335}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 31 and name HB3 ))
3.400 1.700 1.700 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.20650E-02 ppm1 -0.020 ppm2 2.831 CV 1
ASSI { 1338}
( segid " " and resid 23 and name HE% )
(( segid " " and resid 23 and name HG2 ))
3.500 1.900 1.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.19790E-02 ppm1 0.700 ppm2 2.417 CV 1
OR { 1338}
( segid " " and resid 23 and name HE% )
(( segid " " and resid 23 and name HG3 ))
ASSI { 1339}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 17 and name HG2 ))
3.000 1.400 1.400 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.46081E-02 ppm1 0.634 ppm2 2.169 CV 1
ASSI { 1341}
( segid " " and resid 44 and name HG1%)
(( segid " " and resid 44 and name HB ))
2.100 0.900 0.900 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.30211E-01 ppm1 0.762 ppm2 1.962 CV 1
ASSI { 1342}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 44 and name HB ))
2.200 0.900 0.900 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.24666E-01 ppm1 0.837 ppm2 1.962 CV 1
ASSI { 1348}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 21 and name HG2 ))
2.800 1.300 1.300 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.46081E-02 ppm1 1.324 ppm2 2.375 CV 1
ASSI { 1349}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HE3 ))
3.400 1.800 1.800 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.25144E-02 ppm1 1.358 ppm2 2.904 CV 1
OR { 1349}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HE2 ))
ASSI { 1350}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 21 and name HB3 ))
3.100 1.500 1.500 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.36808E-02 ppm1 1.329 ppm2 2.092 CV 1
ASSI { 1351}
(( segid " " and resid 17 and name HD2 ))
(( segid " " and resid 10 and name HB2 ))
4.100 2.400 1.900 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.13289E-02 ppm1 3.567 ppm2 2.595 CV 1
ASSI { 1355}
(( segid " " and resid 21 and name HE21))
(( segid " " and resid 21 and name HG3 ))
3.200 1.600 1.600 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.23423E-02 ppm1 7.479 ppm2 2.375 CV 1
OR { 1355}
(( segid " " and resid 21 and name HE21))
(( segid " " and resid 21 and name HG2 ))
ASSI { 1357}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HB2 ))
3.600 1.900 1.900 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.10612E-02 ppm1 7.701 ppm2 2.862 CV 1
ASSI { 1359}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HB ))
2.600 1.100 1.100 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.96563E-02 ppm1 8.393 ppm2 2.055 CV 1
ASSI { 1360}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB3 ))
3.200 1.600 1.600 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.35565E-02 ppm1 8.535 ppm2 2.095 CV 1
ASSI { 1361}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB ))
2.600 1.100 1.100 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.12238E-01 ppm1 8.635 ppm2 2.174 CV 1
ASSI { 1362}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HB ))
3.600 1.900 1.900 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.25526E-02 ppm1 8.747 ppm2 2.056 CV 1
ASSI { 1366}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB2 ))
3.000 1.500 1.500 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.36234E-02 ppm1 8.900 ppm2 1.994 CV 1
ASSI { 1367}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HB3 ))
3.400 1.700 1.700 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.19217E-02 ppm1 8.745 ppm2 2.941 CV 1
ASSI { 1368}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.300 1.000 1.000 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.11377E-01 ppm1 9.478 ppm2 2.565 CV 1
ASSI { 1371}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HB3 ))
2.500 1.100 1.100 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.13289E-01 ppm1 8.769 ppm2 1.696 CV 1
OR { 1371}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HB2 ))
ASSI { 1372}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HG ))
3.300 1.700 1.700 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.22658E-02 ppm1 8.765 ppm2 1.489 CV 1
ASSI { 1376}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG3 ))
4.000 2.300 2.000 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.11090E-02 ppm1 8.660 ppm2 1.633 CV 1
ASSI { 1377}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB ))
2.300 0.900 0.900 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.18069E-01 ppm1 8.616 ppm2 1.734 CV 1
ASSI { 1379}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB2 ))
3.000 1.400 1.400 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.46655E-02 ppm1 8.566 ppm2 1.845 CV 1
ASSI { 1384}
(( segid " " and resid 45 and name HN ))
( segid " " and resid 44 and name HG1%)
3.200 1.600 1.600 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.48280E-02 ppm1 9.016 ppm2 0.756 CV 1
ASSI { 1386}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 36 and name HG2%)
3.100 1.500 1.500 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.58129E-02 ppm1 9.043 ppm2 0.800 CV 1
ASSI { 1391}
( segid " " and resid 18 and name HE% )
( segid " " and resid 33 and name HG2%)
2.900 1.300 1.300 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.55737E-02 ppm1 6.528 ppm2 0.906 CV 1
ASSI { 1393}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 29 and name HG ))
2.900 1.300 1.300 peak 1393 spectrum 1 weight 0.11000E+01 volume 0.20173E-02 ppm1 3.775 ppm2 1.492 CV 1
ASSI { 1396}
(( segid " " and resid 21 and name HG3 ))
( segid " " and resid 42 and name HB% )
3.300 1.700 1.700 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.32984E-02 ppm1 2.383 ppm2 1.322 CV 1
OR { 1396}
(( segid " " and resid 21 and name HG2 ))
( segid " " and resid 42 and name HB% )
ASSI { 1401}
( segid " " and resid 61 and name HD1%)
( segid " " and resid 61 and name HG2%)
2.500 1.100 1.100 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.14532E-01 ppm1 -0.023 ppm2 0.657 CV 1
ASSI { 1404}
(( segid " " and resid 40 and name HB2 ))
( segid " " and resid 5 and name HD1%)
3.000 1.400 1.400 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.38146E-02 ppm1 2.562 ppm2 0.602 CV 1
ASSI { 1406}
(( segid " " and resid 34 and name HA1 ))
( segid " " and resid 5 and name HD1%)
2.600 1.100 1.100 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.11568E-01 ppm1 2.732 ppm2 0.602 CV 1
ASSI { 1410}
(( segid " " and resid 65 and name HB3 ))
( segid " " and resid 61 and name HG2%)
3.400 1.700 1.700 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.25718E-02 ppm1 3.150 ppm2 0.659 CV 1
ASSI { 1413}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 5 and name HG2%)
3.700 2.000 2.000 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.16062E-02 ppm1 9.036 ppm2 0.632 CV 1
ASSI { 1414}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 5 and name HG2%)
2.700 1.200 1.200 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.62906E-02 ppm1 8.828 ppm2 0.633 CV 1
ASSI { 1415}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 67 and name HG1%)
2.900 1.300 1.300 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.93405E-02 ppm1 8.745 ppm2 0.648 CV 1
ASSI { 1418}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 32 and name HG2%)
2.700 1.200 1.200 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.74665E-02 ppm1 8.369 ppm2 0.984 CV 1
ASSI { 1420}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 4 and name HG2%)
3.100 1.500 1.500 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.12333E-02 ppm1 9.039 ppm2 0.953 CV 1
ASSI { 1422}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 5 and name HD1%)
3.400 1.700 1.700 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.23423E-02 ppm1 7.787 ppm2 0.600 CV 1
ASSI { 1423}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 64 and name HB% )
3.400 1.700 1.700 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.28777E-02 ppm1 8.156 ppm2 1.314 CV 1
ASSI { 1428}
(( segid " " and resid 19 and name HB2 ))
( segid " " and resid 32 and name HG1%)
3.700 2.000 2.000 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.52584E-02 ppm1 2.725 ppm2 0.892 CV 1
ASSI { 1429}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 40 and name HB2 ))
3.300 1.700 1.700 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.23901E-02 ppm1 3.933 ppm2 2.560 CV 1
ASSI { 1431}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HA1 ))
4.400 2.700 1.600 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.57265E-03 ppm1 8.151 ppm2 3.526 CV 1
ASSI { 1432}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HA1 ))
2.900 1.400 1.400 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.36139E-02 ppm1 8.792 ppm2 3.541 CV 1
ASSI { 1433}
(( segid " " and resid 46 and name HB3 ))
( segid " " and resid 15 and name HD% )
3.800 2.100 2.100 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.86520E-03 ppm1 2.861 ppm2 6.879 CV 1
ASSI { 1435}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 38 and name HN ))
2.400 1.000 1.000 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.10134E-01 ppm1 9.043 ppm2 8.149 CV 1
ASSI { 1437}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HA1 ))
2.200 0.900 0.900 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.17974E-01 ppm1 9.039 ppm2 3.523 CV 1
ASSI { 1441}
(( segid " " and resid 65 and name HD21))
(( segid " " and resid 65 and name HB3 ))
3.100 1.500 1.500 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.34131E-02 ppm1 7.370 ppm2 3.146 CV 1
ASSI { 1442}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HA2 ))
3.000 1.500 1.500 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.84230E-02 ppm1 7.786 ppm2 4.040 CV 1
ASSI { 1443}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HB3 ))
3.400 1.800 1.800 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.68263E-02 ppm1 7.697 ppm2 2.940 CV 1
ASSI { 1451}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 15 and name HB2 ))
2.900 1.400 1.400 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.28777E-02 ppm1 2.954 ppm2 2.389 CV 1
ASSI { 1455}
(( segid " " and resid 48 and name HD3 ))
(( segid " " and resid 65 and name HB3 ))
2.600 1.100 1.100 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.10708E-01 ppm1 1.411 ppm2 3.145 CV 1
OR { 1455}
(( segid " " and resid 48 and name HD2 ))
(( segid " " and resid 65 and name HB3 ))
OR { 1455}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 65 and name HB3 ))
OR { 1455}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 65 and name HB3 ))
ASSI { 1456}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 40 and name HB3 ))
3.000 1.400 1.400 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.48089E-02 ppm1 0.835 ppm2 2.926 CV 1
ASSI { 1457}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 45 and name HE3 ))
2.700 1.200 1.200 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.79067E-02 ppm1 1.185 ppm2 2.829 CV 1
ASSI { 1460}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 15 and name HD% )
4.100 2.400 1.900 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.10899E-02 ppm1 5.496 ppm2 6.878 CV 1
ASSI { 1465}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 12 and name HB ))
6.000 4.800 0.000 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.101 ppm2 1.266 CV 1
ASSI { 1472}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 42 and name HN ))
4.900 3.300 1.100 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.10612E-02 ppm1 2.565 ppm2 7.128 CV 1
ASSI { 1473}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 47 and name HN ))
6.000 4.800 0.000 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.796 ppm2 9.513 CV 1
ASSI { 1476}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 41 and name HN ))
6.000 4.800 0.000 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.146 ppm2 9.369 CV 1
ASSI { 1477}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 41 and name HN ))
4.900 3.400 1.100 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.31167E-03 ppm1 4.570 ppm2 9.371 CV 1
ASSI { 1478}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 41 and name HN ))
6.000 4.800 0.000 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.720 ppm2 9.372 CV 1
ASSI { 1479}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 41 and name HN ))
4.400 2.700 1.600 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.70938E-03 ppm1 1.226 ppm2 9.374 CV 1
ASSI { 1481}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 40 and name HN ))
4.500 2.900 1.500 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.91013E-03 ppm1 1.117 ppm2 8.973 CV 1
ASSI { 1482}
( segid " " and resid 67 and name HG1%)
(( segid " " and resid 46 and name HN ))
6.000 4.800 0.000 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.650 ppm2 8.939 CV 1
ASSI { 1483}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 21 and name HN ))
4.100 2.400 1.900 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.92831E-03 ppm1 1.184 ppm2 8.900 CV 1
ASSI { 1484}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 21 and name HN ))
3.300 1.700 1.700 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.84799E-03 ppm1 1.323 ppm2 8.897 CV 1
ASSI { 1486}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 11 and name HN ))
4.800 3.200 1.200 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.57748E-03 ppm1 2.731 ppm2 8.490 CV 1
OR { 1486}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 11 and name HN ))
ASSI { 1488}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 59 and name HN ))
6.000 4.800 0.000 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.637 ppm2 8.462 CV 1
ASSI { 1489}
(( segid " " and resid 35 and name HB ))
(( segid " " and resid 38 and name HN ))
4.000 2.300 2.000 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.11951E-02 ppm1 1.839 ppm2 8.146 CV 1
ASSI { 1490}
( segid " " and resid 35 and name HG1%)
(( segid " " and resid 38 and name HN ))
6.000 4.800 0.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.847 ppm2 8.144 CV 1
OR { 1490}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 38 and name HN ))
ASSI { 1491}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 39 and name HE21))
4.700 3.100 1.300 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.41301E-03 ppm1 1.226 ppm2 7.317 CV 1
ASSI { 1497}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HD22))
4.800 3.200 1.200 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.75335E-03 ppm1 8.612 ppm2 7.027 CV 1
ASSI { 1501}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 20 and name HA ))
3.600 2.000 2.000 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.18069E-02 ppm1 8.367 ppm2 5.599 CV 1
ASSI { 1502}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 47 and name HA ))
6.000 4.800 0.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.698 ppm2 5.676 CV 1
ASSI { 1503}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 66 and name HA ))
4.300 2.600 1.700 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.10516E-02 ppm1 8.229 ppm2 5.619 CV 1
ASSI { 1504}
(( segid " " and resid 66 and name HB3 ))
(( segid " " and resid 66 and name HA ))
3.500 1.800 1.800 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.14627E-02 ppm1 2.941 ppm2 5.619 CV 1
ASSI { 1505}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 20 and name HA ))
4.300 2.700 1.700 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.11664E-02 ppm1 4.622 ppm2 5.599 CV 1
ASSI { 1507}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA2 ))
4.300 2.600 1.700 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.86043E-03 ppm1 7.871 ppm2 4.025 CV 1
ASSI { 1513}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 60 and name HB ))
4.500 2.800 1.500 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.13384E-02 ppm1 4.489 ppm2 1.656 CV 1
ASSI { 1514}
(( segid " " and resid 37 and name HA2 ))
(( segid " " and resid 36 and name HA ))
5.000 3.400 1.000 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.78107E-03 ppm1 4.340 ppm2 3.357 CV 1
ASSI { 1520}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HB2 ))
2.800 1.300 1.300 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.62332E-02 ppm1 8.375 ppm2 2.563 CV 1
ASSI { 1525}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HG3 ))
4.600 3.000 1.400 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.94456E-03 ppm1 8.540 ppm2 2.378 CV 1
OR { 1525}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HG2 ))
ASSI { 1526}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 46 and name HB3 ))
3.400 1.800 1.800 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.30785E-02 ppm1 2.395 ppm2 2.863 CV 1
ASSI { 1531}
(( segid " " and resid 10 and name HB3 ))
(( segid " " and resid 17 and name HD2 ))
5.100 3.600 0.900 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.69506E-03 ppm1 2.961 ppm2 3.560 CV 1
ASSI { 1536}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 31 and name HB2 ))
2.700 1.200 1.200 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.80021E-02 ppm1 -0.020 ppm2 2.635 CV 1
ASSI { 1537}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 47 and name HB2 ))
3.100 1.500 1.500 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.29637E-02 ppm1 -0.019 ppm2 2.564 CV 1
ASSI { 1538}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 40 and name HB3 ))
3.400 1.700 1.700 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.53249E-02 ppm1 0.608 ppm2 2.925 CV 1
ASSI { 1539}
(( segid " " and resid 30 and name HA2 ))
(( segid " " and resid 31 and name HA ))
6.000 4.800 0.000 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.606 ppm2 5.658 CV 1
ASSI { 1540}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 47 and name HA ))
6.000 4.800 0.000 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.622 ppm2 5.674 CV 1
ASSI { 1541}
( segid " " and resid 32 and name HG1%)
(( segid " " and resid 31 and name HA ))
4.800 3.100 1.200 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.52011E-03 ppm1 0.897 ppm2 5.658 CV 1
ASSI { 1544}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 17 and name HG2 ))
3.500 1.900 1.900 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.92450E-03 ppm1 8.089 ppm2 2.165 CV 1
ASSI { 1546}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 18 and name HE% )
6.000 4.800 0.000 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.377 ppm2 6.524 CV 1
ASSI { 1548}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HD3 ))
2.600 1.200 1.200 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.45508E-02 ppm1 1.626 ppm2 3.652 CV 1
ASSI { 1551}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 17 and name HD2 ))
5.300 3.800 0.700 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.43118E-03 ppm1 1.373 ppm2 3.565 CV 1
ASSI { 1552}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 43 and name HB3 ))
4.700 3.000 1.300 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.47133E-03 ppm1 1.323 ppm2 3.686 CV 1
OR { 1552}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 43 and name HB2 ))
ASSI { 1553}
(( segid " " and resid 7 and name HG3 ))
(( segid " " and resid 7 and name HD3 ))
2.800 1.300 1.300 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.49810E-02 ppm1 1.973 ppm2 3.686 CV 1
OR { 1553}
(( segid " " and resid 7 and name HG2 ))
(( segid " " and resid 7 and name HD3 ))
ASSI { 1555}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 43 and name HB2 ))
3.000 1.400 1.400 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.16062E-02 ppm1 2.625 ppm2 3.686 CV 1
OR { 1555}
(( segid " " and resid 45 and name HE2 ))
(( segid " " and resid 43 and name HB3 ))
ASSI { 1561}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 15 and name HE% )
4.700 3.100 1.300 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.87383E-03 ppm1 7.973 ppm2 6.667 CV 1
ASSI { 1562}
( segid " " and resid 61 and name HG2%)
( segid " " and resid 18 and name HD% )
6.000 4.800 0.000 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.659 ppm2 6.729 CV 1
ASSI { 1563}
( segid " " and resid 61 and name HG2%)
( segid " " and resid 18 and name HE% )
6.000 4.800 0.000 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.656 ppm2 6.523 CV 1
ASSI { 1564}
( segid " " and resid 44 and name HG1%)
(( segid " " and resid 18 and name HN ))
3.200 1.500 1.500 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.34513E-02 ppm1 0.760 ppm2 9.472 CV 1
ASSI { 1567}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 38 and name HN ))
6.000 4.800 0.000 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.872 ppm2 8.146 CV 1
ASSI { 1570}
(( segid " " and resid 16 and name HD3 ))
( segid " " and resid 18 and name HE% )
6.000 4.800 0.000 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.575 ppm2 6.521 CV 1
OR { 1570}
(( segid " " and resid 16 and name HD2 ))
( segid " " and resid 18 and name HE% )
ASSI { 1571}
( segid " " and resid 5 and name HD1%)
( segid " " and resid 44 and name HG2%)
3.100 1.500 1.500 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.36521E-02 ppm1 0.601 ppm2 0.830 CV 1
ASSI { 1572}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 7 and name HD3 ))
6.000 4.800 0.000 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.806 ppm2 3.686 CV 1
ASSI { 1577}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HB2 ))
6.000 4.800 0.000 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.358 ppm2 2.707 CV 1
ASSI { 1582}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 23 and name HN ))
6.000 4.800 0.000 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.783 ppm2 8.563 CV 1
OR { 1582}
(( segid " " and resid 22 and name HB3 ))
(( segid " " and resid 23 and name HN ))
ASSI { 1584}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HG ))
4.000 2.300 2.000 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.15010E-02 ppm1 8.201 ppm2 1.469 CV 1
ASSI { 1586}
( segid " " and resid 44 and name HG1%)
(( segid " " and resid 17 and name HA ))
4.200 2.500 1.800 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.78300E-03 ppm1 0.759 ppm2 5.204 CV 1
ASSI { 1587}
( segid " " and resid 44 and name HG1%)
(( segid " " and resid 19 and name HA ))
6.000 4.800 0.000 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.761 ppm2 5.358 CV 1
ASSI { 1588}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 19 and name HA ))
6.000 4.800 0.000 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.828 ppm2 5.358 CV 1
ASSI { 1593}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 47 and name HB2 ))
2.800 1.300 1.300 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.70938E-02 ppm1 0.661 ppm2 2.564 CV 1
ASSI { 1595}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 33 and name HB ))
4.000 2.300 2.000 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.11664E-02 ppm1 6.526 ppm2 1.825 CV 1
ASSI { 1596}
( segid " " and resid 18 and name HE% )
( segid " " and resid 33 and name HG1%)
3.800 2.100 2.100 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.16444E-02 ppm1 6.526 ppm2 0.743 CV 1
ASSI { 1597}
( segid " " and resid 18 and name HE% )
(( segid " " and resid 16 and name HG2 ))
4.100 2.400 1.900 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.75909E-03 ppm1 6.526 ppm2 1.361 CV 1
ASSI { 1604}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 46 and name HB2 ))
6.000 4.800 0.000 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.882 ppm2 2.731 CV 1
ASSI { 1606}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 10 and name HB3 ))
6.000 4.800 0.000 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.673 ppm2 2.952 CV 1
ASSI { 1607}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 10 and name HB3 ))
6.000 4.800 0.000 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.880 ppm2 2.954 CV 1
ASSI { 1608}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 62 and name HB2 ))
5.600 4.200 0.400 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.41110E-03 ppm1 7.027 ppm2 2.677 CV 1
ASSI { 1611}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 62 and name HB2 ))
4.500 2.800 1.500 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.37764E-03 ppm1 7.368 ppm2 2.678 CV 1
ASSI { 1612}
(( segid " " and resid 36 and name HG12))
(( segid " " and resid 7 and name HB3 ))
3.600 1.900 1.900 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.19886E-02 ppm1 0.743 ppm2 2.292 CV 1
ASSI { 1613}
( segid " " and resid 36 and name HG2%)
(( segid " " and resid 7 and name HB3 ))
6.000 4.800 0.000 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.805 ppm2 2.294 CV 1
ASSI { 1615}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 66 and name HA ))
6.000 4.800 0.000 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.570 ppm2 5.617 CV 1
ASSI { 1616}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 31 and name HA ))
6.000 4.800 0.000 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.801 ppm2 5.661 CV 1
ASSI { 1621}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 47 and name HA ))
6.000 4.800 0.000 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.747 ppm2 5.677 CV 1
ASSI { 1622}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 60 and name HB ))
6.000 4.800 0.000 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.709 ppm2 1.661 CV 1
OR { 1622}
( segid " " and resid 60 and name HD1%)
(( segid " " and resid 60 and name HB ))
ASSI { 1623}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 17 and name HB3 ))
6.000 4.800 0.000 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.636 ppm2 1.890 CV 1
ASSI { 1624}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 17 and name HB3 ))
6.000 4.800 0.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.609 ppm2 1.891 CV 1
ASSI { 1626}
( segid " " and resid 5 and name HG2%)
(( segid " " and resid 34 and name HA1 ))
6.000 4.800 0.000 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.636 ppm2 2.729 CV 1
ASSI { 1627}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 5 and name HA ))
3.200 1.600 1.600 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.11281E-02 ppm1 1.213 ppm2 3.834 CV 1
ASSI { 1628}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 17 and name HB3 ))
6.000 4.800 0.000 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.213 ppm2 1.891 CV 1
ASSI { 1631}
( segid " " and resid 9 and name HG2%)
(( segid " " and resid 17 and name HB2 ))
6.000 4.800 0.000 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.213 ppm2 1.944 CV 1
ASSI { 1633}
(( segid " " and resid 5 and name HG12))
(( segid " " and resid 5 and name HB ))
6.000 4.800 0.000 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.373 ppm2 1.957 CV 1
ASSI { 1638}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 45 and name HB3 ))
2.900 1.300 1.300 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.42162E-02 ppm1 2.573 ppm2 1.683 CV 1
OR { 1638}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 45 and name HB2 ))
ASSI { 1639}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 45 and name HB3 ))
3.300 1.600 1.600 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.44456E-02 ppm1 2.706 ppm2 1.681 CV 1
OR { 1639}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 45 and name HB2 ))
ASSI { 1640}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HB2 ))
2.500 1.100 1.100 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.11472E-01 ppm1 8.953 ppm2 1.690 CV 1
OR { 1640}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HB3 ))
ASSI { 1641}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 45 and name HB3 ))
4.200 2.500 1.800 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.10039E-02 ppm1 9.481 ppm2 1.680 CV 1
OR { 1641}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 45 and name HB2 ))
ASSI { 1643}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 33 and name HB ))
5.100 3.500 0.900 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.36521E-03 ppm1 6.733 ppm2 1.823 CV 1
ASSI { 1644}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 45 and name HB3 ))
6.000 4.800 0.000 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.733 ppm2 1.678 CV 1
OR { 1644}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 45 and name HB2 ))
ASSI { 1646}
(( segid " " and resid 19 and name HB3 ))
(( segid " " and resid 32 and name HN ))
6.000 4.800 0.000 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.014 ppm2 8.363 CV 1
ASSI { 1647}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 45 and name HN ))
4.100 2.400 1.900 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.15583E-02 ppm1 5.207 ppm2 9.011 CV 1
ASSI { 1648}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 45 and name HN ))
6.000 4.800 0.000 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.494 ppm2 9.010 CV 1
ASSI { 1649}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 19 and name HN ))
6.000 4.800 0.000 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.658 ppm2 9.001 CV 1
ASSI { 1650}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 19 and name HN ))
6.000 4.800 0.000 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.597 ppm2 9.002 CV 1
ASSI { 1652}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 16 and name HN ))
4.200 2.500 1.800 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.65201E-03 ppm1 5.495 ppm2 8.650 CV 1
ASSI { 1655}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 10 and name HB3 ))
4.400 2.700 1.600 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.65394E-03 ppm1 5.494 ppm2 2.961 CV 1
ASSI { 1656}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HB3 ))
5.200 3.700 0.800 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.10899E-02 ppm1 5.356 ppm2 2.833 CV 1
ASSI { 1657}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 40 and name HB3 ))
4.000 2.300 2.000 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.91399E-03 ppm1 5.356 ppm2 2.925 CV 1
ASSI { 1658}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 40 and name HB2 ))
5.200 3.600 0.800 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.24475E-03 ppm1 5.356 ppm2 2.559 CV 1
ASSI { 1659}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 18 and name HB2 ))
4.300 2.600 1.700 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.13576E-02 ppm1 5.206 ppm2 2.571 CV 1
ASSI { 1660}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 15 and name HB2 ))
4.900 3.300 1.100 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.76198E-03 ppm1 5.494 ppm2 2.388 CV 1
ASSI { 1662}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 21 and name HG2 ))
4.800 3.200 1.200 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.94938E-04 ppm1 5.668 ppm2 2.382 CV 1
OR { 1662}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 21 and name HG3 ))
ASSI { 1665}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 5 and name HD1%)
6.000 4.800 0.000 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.985 ppm2 0.598 CV 1
ASSI { 1666}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 60 and name HG2%)
6.000 4.800 0.000 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.148 ppm2 0.703 CV 1
ASSI { 1667}
( segid " " and resid 2 and name HB% )
(( segid " " and resid 39 and name HG3 ))
5.100 3.500 0.900 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.47516E-03 ppm1 1.226 ppm2 2.235 CV 1
ASSI { 1668}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 39 and name HG3 ))
4.300 2.600 1.700 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.58987E-03 ppm1 4.605 ppm2 2.235 CV 1
ASSI { 1669}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 39 and name HG2 ))
4.400 2.700 1.600 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.51818E-03 ppm1 4.614 ppm2 2.150 CV 1
ASSI { 1670}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 48 and name HN ))
6.000 4.800 0.000 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.658 ppm2 8.223 CV 1
ASSI { 1672}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 18 and name HN ))
6.000 4.800 0.000 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.614 ppm2 9.475 CV 1
ASSI { 1673}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 47 and name HN ))
6.000 4.800 0.000 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.658 ppm2 9.513 CV 1
ASSI { 1674}
(( segid " " and resid 34 and name HA1 ))
(( segid " " and resid 17 and name HG3 ))
2.600 1.100 1.100 peak 1674 spectrum 1 weight 0.11000E+01 volume 0.39007E-02 ppm1 2.737 ppm2 1.613 CV 1
ASSI { 1675}
(( segid " " and resid 34 and name HA2 ))
(( segid " " and resid 35 and name HB ))
6.000 4.800 0.000 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.046 ppm2 1.832 CV 1
ASSI { 1676}
(( segid " " and resid 35 and name HA ))
( segid " " and resid 36 and name HD1%)
5.000 3.400 1.000 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.65013E-03 ppm1 3.926 ppm2 1.503 CV 1
ASSI { 1680}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 27 and name HB% )
3.200 1.600 1.600 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.46177E-02 ppm1 8.138 ppm2 1.379 CV 1
ASSI { 1681}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 66 and name HN ))
4.500 2.800 1.500 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.52011E-03 ppm1 0.664 ppm2 7.697 CV 1
ASSI { 1682}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 21 and name HE21))
4.000 2.300 2.000 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.29064E-03 ppm1 1.324 ppm2 7.474 CV 1
ASSI { 1684}
( segid " " and resid 60 and name HD1%)
(( segid " " and resid 28 and name HB3 ))
6.000 4.800 0.000 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.702 ppm2 3.627 CV 1
OR { 1684}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 28 and name HB3 ))
ASSI { 1688}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 60 and name HG12))
6.000 4.800 0.000 peak 1688 spectrum 1 weight 0.11000E+01 volume 0.00000E+00 ppm1 3.598 ppm2 1.415 CV 1
ASSI { 1689}
(( segid " " and resid 28 and name HB3 ))
(( segid " " and resid 60 and name HG12))
6.000 4.800 0.000 peak 1689 spectrum 1 weight 0.11000E+01 volume 0.00000E+00 ppm1 3.636 ppm2 1.417 CV 1
ASSI { 1692}
(( segid " " and resid 6 and name HA2 ))
( segid " " and resid 36 and name HG2%)
6.000 4.800 0.000 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.647 ppm2 0.798 CV 1
ASSI { 1693}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 62 and name HB2 ))
4.300 2.700 1.700 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.11664E-02 ppm1 4.148 ppm2 2.681 CV 1
ASSI { 1695}
(( segid " " and resid 67 and name HB ))
(( segid " " and resid 46 and name HB3 ))
4.100 2.400 1.900 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.18547E-02 ppm1 2.060 ppm2 2.863 CV 1
ASSI { 1696}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 46 and name HB3 ))
6.000 4.800 0.000 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.746 ppm2 2.861 CV 1
ASSI { 1699}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 30 and name HA1 ))
4.200 2.500 1.800 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.82413E-03 ppm1 8.902 ppm2 3.543 CV 1
ASSI { 1702}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 66 and name HB3 ))
6.000 4.800 0.000 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.377 ppm2 2.951 CV 1
ASSI { 1707}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 19 and name HB2 ))
6.000 4.800 0.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.984 ppm2 2.725 CV 1
ASSI { 1708}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 19 and name HB3 ))
6.000 4.800 0.000 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.986 ppm2 3.008 CV 1
ASSI { 1709}
(( segid " " and resid 40 and name HA ))
( segid " " and resid 5 and name HD1%)
4.500 2.900 1.500 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.56214E-03 ppm1 4.982 ppm2 0.593 CV 1
ASSI { 1711}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 46 and name HA ))
4.700 3.100 1.300 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.35374E-03 ppm1 4.799 ppm2 5.488 CV 1
ASSI { 1713}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 9 and name HG2%)
3.900 2.200 2.100 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.19121E-02 ppm1 7.565 ppm2 1.214 CV 1
ASSI { 1720}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 36 and name HG2%)
4.000 2.300 2.000 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.26004E-02 ppm1 8.631 ppm2 0.798 CV 1
ASSI { 1726}
(( segid " " and resid 16 and name HE3 ))
( segid " " and resid 33 and name HG2%)
6.000 4.800 0.000 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.907 ppm2 0.903 CV 1
OR { 1726}
(( segid " " and resid 16 and name HE2 ))
( segid " " and resid 33 and name HG2%)
ASSI { 1728}
(( segid " " and resid 12 and name HG13))
(( segid " " and resid 15 and name HB2 ))
6.000 4.800 0.000 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.244 ppm2 2.390 CV 1
ASSI { 1729}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 15 and name HB2 ))
6.000 4.800 0.000 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.271 ppm2 2.390 CV 1
ASSI { 1734}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 4 and name HG2%)
6.000 4.800 0.000 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.823 ppm2 0.952 CV 1
ASSI { 1735}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 5 and name HN ))
3.300 1.600 1.600 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.26004E-02 ppm1 4.823 ppm2 8.630 CV 1
ASSI { 1736}
( segid " " and resid 44 and name HG2%)
(( segid " " and resid 20 and name HN ))
5.400 4.000 0.600 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.24762E-03 ppm1 0.829 ppm2 9.839 CV 1
ASSI { 1737}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 47 and name HN ))
6.000 4.800 0.000 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.640 ppm2 9.510 CV 1
ASSI { 1738}
(( segid " " and resid 10 and name HB2 ))
( segid " " and resid 15 and name HD% )
6.000 4.800 0.000 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.586 ppm2 6.880 CV 1
ASSI { 1739}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 32 and name HN ))
5.000 3.500 1.000 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.39676E-03 ppm1 5.354 ppm2 8.364 CV 1
ASSI { 1740}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 5 and name HD1%)
6.000 4.800 0.000 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.362 ppm2 0.594 CV 1
ASSI { 1741}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 31 and name HB2 ))
6.000 4.800 0.000 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.596 ppm2 2.633 CV 1
ASSI { 1744}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 3 and name HN ))
4.900 3.300 1.100 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.45030E-03 ppm1 2.927 ppm2 8.142 CV 1
ASSI { 1746}
(( segid " " and resid 40 and name HB3 ))
(( segid " " and resid 3 and name HB ))
4.600 3.000 1.400 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.59946E-03 ppm1 2.923 ppm2 3.928 CV 1
ASSI { 1748}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 40 and name HB3 ))
4.500 2.800 1.500 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.58225E-03 ppm1 7.136 ppm2 2.925 CV 1
ASSI { 1751}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 40 and name HB2 ))
4.100 2.400 1.900 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.13194E-02 ppm1 1.127 ppm2 2.558 CV 1
ASSI { 1754}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 40 and name HN ))
4.200 2.500 1.800 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.93120E-03 ppm1 8.638 ppm2 8.971 CV 1
ASSI { 1755}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 37 and name HN ))
6.000 4.800 0.000 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.631 ppm2 9.039 CV 1
ASSI { 1757}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 38 and name HN ))
6.000 4.800 0.000 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.604 ppm2 8.150 CV 1
ASSI { 1759}
(( segid " " and resid 38 and name HB3 ))
(( segid " " and resid 5 and name HB ))
3.000 1.400 1.400 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.40058E-02 ppm1 3.935 ppm2 1.956 CV 1
ASSI { 1760}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB ))
2.400 1.000 1.000 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.13767E-01 ppm1 8.787 ppm2 1.960 CV 1
ASSI { 1761}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 9 and name HB ))
6.000 4.800 0.000 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.827 ppm2 3.910 CV 1
ASSI { 1762}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 9 and name HA ))
6.000 4.800 0.000 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.827 ppm2 3.756 CV 1
ASSI { 1763}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 15 and name HN ))
6.000 4.800 0.000 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.459 ppm2 7.968 CV 1
ASSI { 1764}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 12 and name HN ))
5.200 3.600 0.800 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.11664E-03 ppm1 2.395 ppm2 7.393 CV 1
ASSI { 1768}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 15 and name HB3 ))
6.000 4.800 0.000 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.457 ppm2 3.096 CV 1
ASSI { 1769}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 15 and name HB2 ))
6.000 4.800 0.000 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.463 ppm2 2.392 CV 1
ASSI { 1772}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 47 and name HN ))
6.000 4.800 0.000 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.631 ppm2 9.512 CV 1
ASSI { 1776}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 19 and name HB2 ))
6.000 4.800 0.000 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.998 ppm2 2.718 CV 1
ASSI { 1777}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 19 and name HB2 ))
6.000 4.800 0.000 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.365 ppm2 2.715 CV 1
ASSI { 1780}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 24 and name HB3 ))
6.000 4.800 0.000 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.879 ppm2 3.787 CV 1
OR { 1780}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 24 and name HB2 ))
ASSI { 1782}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 36 and name HA ))
6.000 4.800 0.000 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.786 ppm2 3.361 CV 1
ASSI { 1784}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 45 and name HG2 ))
6.000 4.800 0.000 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.705 ppm2 1.180 CV 1
ASSI { 1785}
( segid " " and resid 18 and name HD% )
(( segid " " and resid 31 and name HB2 ))
6.000 4.800 0.000 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.732 ppm2 2.633 CV 1
ASSI { 1794}
(( segid " " and resid 46 and name HB2 ))
( segid " " and resid 67 and name HG1%)
6.000 4.800 0.000 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.732 ppm2 0.645 CV 1
ASSI { 1795}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 46 and name HB3 ))
6.000 4.800 0.000 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.251 ppm2 2.862 CV 1
ASSI { 1796}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 62 and name HN ))
6.000 4.800 0.000 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.018 ppm2 8.605 CV 1
ASSI { 1797}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 21 and name HN ))
6.000 4.800 0.000 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.359 ppm2 8.897 CV 1
ASSI { 1798}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 46 and name HN ))
6.000 4.800 0.000 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.749 ppm2 8.938 CV 1
ASSI { 1799}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 13 and name HN ))
5.400 4.000 0.600 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.11472E-03 ppm1 7.975 ppm2 8.690 CV 1
ASSI { 1800}
(( segid " " and resid 65 and name HD22))
(( segid " " and resid 65 and name HN ))
6.000 4.800 0.000 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.032 ppm2 8.154 CV 1
ASSI { 1801}
(( segid " " and resid 7 and name HD3 ))
(( segid " " and resid 6 and name HA1 ))
2.900 1.300 1.300 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.40919E-02 ppm1 3.683 ppm2 3.947 CV 1
ASSI { 1802}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HA1 ))
6.000 4.800 0.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.358 ppm2 3.525 CV 1
ASSI { 1803}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 20 and name HB3 ))
6.000 4.800 0.000 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.005 ppm2 2.829 CV 1
ASSI { 1804}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 21 and name HN ))
6.000 4.800 0.000 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.699 ppm2 8.898 CV 1
ASSI { 1805}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 30 and name HA1 ))
3.600 1.900 1.900 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.19312E-02 ppm1 0.708 ppm2 3.541 CV 1
ASSI { 1810}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 22 and name HN ))
5.100 3.500 0.900 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.27630E-03 ppm1 1.324 ppm2 8.530 CV 1
ASSI { 1812}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 43 and name HB2 ))
6.000 4.800 0.000 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.179 ppm2 3.688 CV 1
OR { 1812}
(( segid " " and resid 45 and name HG2 ))
(( segid " " and resid 43 and name HB3 ))
ASSI { 1813}
(( segid " " and resid 45 and name HG3 ))
(( segid " " and resid 43 and name HB2 ))
6.000 4.800 0.000 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.218 ppm2 3.688 CV 1
OR { 1813}
(( segid " " and resid 45 and name HG3 ))
(( segid " " and resid 43 and name HB3 ))
ASSI { 1815}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 46 and name HB3 ))
6.000 4.800 0.000 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.118 ppm2 2.871 CV 1
ASSI { 1824}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HA ))
3.400 1.700 1.700 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.22945E-02 ppm1 8.371 ppm2 4.306 CV 1
ASSI { 1829}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HA2 ))
3.200 1.600 1.600 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.32506E-02 ppm1 8.463 ppm2 4.006 CV 1
ASSI { 1830}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HA2 ))
3.500 1.900 1.900 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.18356E-02 ppm1 8.142 ppm2 4.008 CV 1
ASSI { 1835}
(( segid " " and resid 66 and name HB3 ))
(( segid " " and resid 45 and name HB2 ))
3.200 1.600 1.600 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.17687E-02 ppm1 2.946 ppm2 1.687 CV 1
OR { 1835}
(( segid " " and resid 66 and name HB3 ))
(( segid " " and resid 45 and name HB3 ))
ASSI { 1837}
( segid " " and resid 35 and name HG1%)
(( segid " " and resid 34 and name HA2 ))
6.000 4.800 0.000 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.845 ppm2 4.041 CV 1
ASSI { 1838}
( segid " " and resid 35 and name HG2%)
(( segid " " and resid 34 and name HA2 ))
6.000 4.800 0.000 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.873 ppm2 4.041 CV 1
ASSI { 1840}
( segid " " and resid 33 and name HG1%)
(( segid " " and resid 7 and name HD2 ))
6.000 4.800 0.000 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.749 ppm2 3.477 CV 1
ASSI { 1844}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 47 and name HB3 ))
6.000 4.800 0.000 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.662 ppm2 2.978 CV 1
ASSI { 1845}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 47 and name HB3 ))
6.000 4.800 0.000 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.422 ppm2 2.979 CV 1
ASSI { 1846}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 20 and name HB2 ))
6.000 4.800 0.000 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.701 ppm2 2.700 CV 1
ASSI { 1847}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 20 and name HB3 ))
6.000 4.800 0.000 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.701 ppm2 2.831 CV 1
ASSI { 1849}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 65 and name HB2 ))
6.000 4.800 0.000 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.669 ppm2 2.782 CV 1
ASSI { 1851}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HE2 ))
6.000 4.800 0.000 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.414 ppm2 2.816 CV 1
OR { 1851}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HE2 ))
ASSI { 1852}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HE2 ))
2.400 1.000 1.000 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.15488E-01 ppm1 1.621 ppm2 2.913 CV 1
OR { 1852}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HE3 ))
ASSI { 1853}
(( segid " " and resid 61 and name HG13))
(( segid " " and resid 31 and name HB2 ))
3.200 1.600 1.600 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.26004E-02 ppm1 0.980 ppm2 2.637 CV 1
ASSI { 1854}
(( segid " " and resid 61 and name HG12))
(( segid " " and resid 31 and name HB2 ))
6.000 4.800 0.000 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.594 ppm2 2.637 CV 1
ASSI { 1858}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HA ))
3.400 1.800 1.800 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.25909E-02 ppm1 8.618 ppm2 4.093 CV 1
ASSI { 1862}
(( segid " " and resid 48 and name HG3 ))
(( segid " " and resid 48 and name HE3 ))
6.000 4.800 0.000 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.022 ppm2 2.937 CV 1
ASSI { 1863}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 66 and name HB3 ))
6.000 4.800 0.000 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.711 ppm2 2.934 CV 1
ASSI { 1864}
(( segid " " and resid 48 and name HE3 ))
(( segid " " and resid 48 and name HN ))
6.000 4.800 0.000 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.947 ppm2 8.227 CV 1
ASSI { 1865}
(( segid " " and resid 48 and name HE3 ))
(( segid " " and resid 48 and name HD3 ))
6.000 4.800 0.000 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.949 ppm2 1.398 CV 1
OR { 1865}
(( segid " " and resid 48 and name HE3 ))
(( segid " " and resid 48 and name HD2 ))
OR { 1865}
(( segid " " and resid 48 and name HE3 ))
(( segid " " and resid 48 and name HB3 ))
ASSI { 1867}
(( segid " " and resid 48 and name HE3 ))
(( segid " " and resid 48 and name HG2 ))
6.000 4.800 0.000 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.947 ppm2 0.988 CV 1
ASSI { 1868}
( segid " " and resid 60 and name HD1%)
(( segid " " and resid 60 and name HG12))
6.000 4.800 0.000 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.710 ppm2 1.400 CV 1
OR { 1868}
( segid " " and resid 60 and name HG2%)
(( segid " " and resid 60 and name HG12))
ASSI { 1869}
(( segid " " and resid 19 and name HB3 ))
( segid " " and resid 5 and name HD1%)
4.300 2.600 1.700 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.96563E-03 ppm1 3.009 ppm2 0.601 CV 1
ASSI { 1872}
(( segid " " and resid 45 and name HD3 ))
(( segid " " and resid 43 and name HB3 ))
6.000 4.800 0.000 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.632 ppm2 3.685 CV 1
ASSI { 1875}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HG2 ))
2.500 1.100 1.100 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.11951E-01 ppm1 1.999 ppm2 2.386 CV 1
OR { 1875}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HG3 ))
ASSI { 1876}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HG3 ))
2.500 1.100 1.100 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.17018E-01 ppm1 2.101 ppm2 2.381 CV 1
OR { 1876}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HG2 ))
ASSI { 1877}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 21 and name HB2 ))
6.000 4.800 0.000 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.325 ppm2 1.996 CV 1
ASSI { 1878}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 42 and name HB% )
6.000 4.800 0.000 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.623 ppm2 1.321 CV 1
ASSI { 1879}
( segid " " and resid 29 and name HD1%)
( segid " " and resid 63 and name HB% )
6.000 4.800 0.000 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.707 ppm2 1.319 CV 1
ASSI { 1881}
( segid " " and resid 63 and name HB% )
(( segid " " and resid 62 and name HB2 ))
6.000 4.800 0.000 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.320 ppm2 2.678 CV 1
ASSI { 1882}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 21 and name HE22))
6.000 4.800 0.000 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.320 ppm2 6.802 CV 1
ASSI { 1884}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 29 and name HN ))
6.000 4.800 0.000 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.772 ppm2 8.766 CV 1
ASSI { 1885}
(( segid " " and resid 29 and name HG ))
(( segid " " and resid 63 and name HN ))
6.000 4.800 0.000 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.493 ppm2 8.732 CV 1
ASSI { 1888}
( segid " " and resid 29 and name HD1%)
(( segid " " and resid 63 and name HA ))
6.000 4.800 0.000 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.701 ppm2 3.774 CV 1
ASSI { 1894}
(( segid " " and resid 10 and name HB2 ))
(( segid " " and resid 46 and name HA ))
6.000 5.500 0.000 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.60520E-04 ppm1 2.585 ppm2 5.489 CV 1
ASSI { 1897}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 47 and name HA ))
6.000 4.800 0.000 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.388 ppm2 5.665 CV 1
ASSI { 1900}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 26 and name HB3 ))
6.000 4.800 0.000 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.841 ppm2 3.697 CV 1
ASSI { 1902}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 26 and name HB3 ))
5.700 4.300 0.300 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.21033E-03 ppm1 8.143 ppm2 3.696 CV 1
ASSI { 1903}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 45 and name HB3 ))
6.000 4.800 0.000 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 -0.023 ppm2 1.682 CV 1
OR { 1903}
( segid " " and resid 61 and name HD1%)
(( segid " " and resid 45 and name HB2 ))
ASSI { 1904}
( segid " " and resid 42 and name HB% )
(( segid " " and resid 20 and name HA ))
6.000 4.800 0.000 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.320 ppm2 5.597 CV 1
ASSI { 1905}
( segid " " and resid 29 and name HD2%)
(( segid " " and resid 20 and name HA ))
6.000 4.800 0.000 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.184 ppm2 5.595 CV 1
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