NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
15227 | 1xs8 | 6359 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
!ambiguousNOE ASSI { 1204} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HN )) 2.600 0.800 1.300 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.17806E-02 ppm1 4.672 ppm2 8.913 CV 1 OR { 1204} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HN )) ASSI { 1211} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 3 and name HN )) 3.400 1.600 2.300 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.54948E-03 ppm1 1.808 ppm2 8.930 CV 1 OR { 1211} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 4 and name HN )) ASSI { 1213} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 3 and name HA )) 2.500 0.700 1.300 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.23370E-02 ppm1 1.726 ppm2 4.649 CV 1 OR { 1213} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 15 and name HA )) OR { 1213} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 14 and name HA )) ASSI { 1214} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HD1 )) 2.800 1.000 1.600 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.35056E-02 ppm1 1.725 ppm2 3.215 CV 1 OR { 1214} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 3 and name HD1 )) ASSI { 1222} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 3 and name HN )) 3.600 1.800 2.400 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.59121E-03 ppm1 1.725 ppm2 8.906 CV 1 OR { 1222} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 4 and name HN )) ASSI { 1238} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 4 and name HN )) 3.400 1.600 2.300 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.10169E-02 ppm1 1.476 ppm2 8.936 CV 1 OR { 1238} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 3 and name HN )) ASSI { 1242} (( segid " " and resid 4 and name HA )) (( segid " " and resid 15 and name HG1 )) 4.900 3.100 1.100 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.26014E-03 ppm1 4.765 ppm2 2.563 CV 1 OR { 1242} (( segid " " and resid 4 and name HA )) (( segid " " and resid 13 and name HB2 )) ASSI { 1243} (( segid " " and resid 4 and name HA )) (( segid " " and resid 3 and name HG2 )) 5.300 3.500 0.700 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.50914E-04 ppm1 4.770 ppm2 1.457 CV 1 OR { 1243} (( segid " " and resid 4 and name HA )) (( segid " " and resid 36 and name HD2 )) ASSI { 1244} (( segid " " and resid 4 and name HA )) (( segid " " and resid 3 and name HB1 )) 6.000 4.200 0.000 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.15580E-05 ppm1 4.769 ppm2 1.834 CV 1 OR { 1244} (( segid " " and resid 4 and name HA )) (( segid " " and resid 17 and name HB2 )) ASSI { 1251} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HN )) 4.000 2.200 2.000 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.21701E-03 ppm1 4.765 ppm2 8.898 CV 1 OR { 1251} (( segid " " and resid 4 and name HA )) (( segid " " and resid 3 and name HN )) ASSI { 1262} ( segid " " and resid 4 and name HG2%) (( segid " " and resid 15 and name HG1 )) 3.500 1.700 2.500 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.18084E-02 ppm1 1.192 ppm2 2.546 CV 1 OR { 1262} ( segid " " and resid 4 and name HG2%) (( segid " " and resid 13 and name HB2 )) ASSI { 16} (( segid " " and resid 5 and name HN )) ( segid " " and resid 14 and name HB% ) 4.000 2.200 2.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.47019E-03 ppm1 9.103 ppm2 1.508 CV 1 OR { 16} (( segid " " and resid 5 and name HN )) (( segid " " and resid 36 and name HD2 )) ASSI { 19} (( segid " " and resid 5 and name HN )) (( segid " " and resid 15 and name HG1 )) 5.400 3.600 0.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.23649E-03 ppm1 9.102 ppm2 2.567 CV 1 OR { 19} (( segid " " and resid 5 and name HN )) (( segid " " and resid 13 and name HB2 )) ASSI { 1278} (( segid " " and resid 5 and name HB )) (( segid " " and resid 5 and name HA )) 2.900 1.100 1.600 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.15859E-02 ppm1 1.896 ppm2 4.788 CV 1 OR { 1278} (( segid " " and resid 5 and name HB )) (( segid " " and resid 4 and name HA )) ASSI { 1286} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 35 and name HA )) 2.900 1.100 1.700 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.15024E-02 ppm1 0.639 ppm2 4.686 CV 1 OR { 1286} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 7 and name HA )) OR { 1286} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 6 and name HA )) OR { 1286} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 14 and name HA )) ASSI { 1287} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 36 and name HA )) 4.600 2.800 1.400 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.64826E-03 ppm1 0.637 ppm2 4.101 CV 1 OR { 1287} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 8 and name HA )) OR { 1287} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 17 and name HA )) OR { 1287} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 39 and name HA )) OR { 1287} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 1291} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 33 and name HG1 )) 5.400 3.600 0.600 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.20866E-03 ppm1 0.635 ppm2 2.589 CV 1 OR { 1291} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 15 and name HG1 )) OR { 1291} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 17 and name HG2 )) OR { 1291} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 13 and name HB2 )) ASSI { 1292} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 17 and name HB1 )) 5.900 4.100 0.100 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.11713E-03 ppm1 0.643 ppm2 2.331 CV 1 OR { 1292} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 20 and name HG2 )) OR { 1292} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 76 and name HB2 )) OR { 1292} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 76 and name HG1 )) ASSI { 1293} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 7 and name HB2 )) 3.300 1.500 2.100 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.59675E-03 ppm1 0.638 ppm2 2.762 CV 1 OR { 1293} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 34 and name HB )) ASSI { 1295} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 14 and name HB% ) 3.800 2.000 2.200 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.49940E-03 ppm1 0.639 ppm2 1.506 CV 1 OR { 1295} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 38 and name HB% ) OR { 1295} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 3 and name HG2 )) OR { 1295} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 36 and name HD2 )) ASSI { 1304} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 6 and name HN )) 3.800 2.000 2.200 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.64826E-03 ppm1 0.639 ppm2 8.413 CV 1 OR { 1304} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 33 and name HN )) ASSI { 1310} (( segid " " and resid 5 and name HG11)) (( segid " " and resid 3 and name HG2 )) 2.400 0.600 3.600 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.10711E-01 ppm1 0.713 ppm2 1.462 CV 1 OR { 1310} (( segid " " and resid 5 and name HG11)) (( segid " " and resid 36 and name HD2 )) ASSI { 1323} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 5 and name HA )) 2.800 1.000 1.500 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.24205E-02 ppm1 0.814 ppm2 4.789 CV 1 OR { 1323} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 4 and name HA )) ASSI { 1338} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 3 and name HE )) 3.900 2.100 2.100 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.44793E-03 ppm1 0.812 ppm2 7.179 CV 1 OR { 1338} ( segid " " and resid 5 and name HG2%) ( segid " " and resid 6 and name HD% ) ASSI { 39} (( segid " " and resid 6 and name HN )) (( segid " " and resid 14 and name HN )) 5.100 3.300 0.900 peak 39 spectrum 1 weight 0.10000E+01 volume 0.15024E-03 ppm1 8.447 ppm2 9.800 CV 1 OR { 39} (( segid " " and resid 6 and name HN )) (( segid " " and resid 8 and name HN )) ASSI { 1343} (( segid " " and resid 6 and name HA )) (( segid " " and resid 13 and name HB1 )) 3.800 2.000 2.200 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.13605E-02 ppm1 4.652 ppm2 2.391 CV 1 OR { 1343} (( segid " " and resid 6 and name HA )) (( segid " " and resid 33 and name HB1 )) OR { 1343} (( segid " " and resid 6 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 1348} (( segid " " and resid 6 and name HA )) ( segid " " and resid 6 and name HE% ) 3.700 1.900 2.300 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.13104E-02 ppm1 4.657 ppm2 6.786 CV 1 OR { 1348} (( segid " " and resid 6 and name HA )) (( segid " " and resid 12 and name HN )) ASSI { 1349} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 6 and name HA )) 2.900 1.100 1.700 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.12339E-02 ppm1 2.975 ppm2 4.664 CV 1 OR { 1349} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 7 and name HA )) ASSI { 40} (( segid " " and resid 7 and name HN )) ( segid " " and resid 5 and name HD1%) 4.300 2.500 1.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.22675E-03 ppm1 7.969 ppm2 0.677 CV 1 OR { 40} (( segid " " and resid 7 and name HN )) (( segid " " and resid 5 and name HG11)) OR { 40} (( segid " " and resid 7 and name HN )) ( segid " " and resid 34 and name HD1%) ASSI { 42} (( segid " " and resid 7 and name HN )) (( segid " " and resid 10 and name HB2 )) 4.300 2.500 1.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.40481E-03 ppm1 7.969 ppm2 1.752 CV 1 OR { 42} (( segid " " and resid 7 and name HN )) (( segid " " and resid 10 and name HG )) OR { 42} (( segid " " and resid 7 and name HN )) (( segid " " and resid 12 and name HB2 )) ASSI { 43} (( segid " " and resid 7 and name HN )) ( segid " " and resid 14 and name HB% ) 3.900 2.100 2.100 peak 43 spectrum 1 weight 0.10000E+01 volume 0.49940E-03 ppm1 7.969 ppm2 1.530 CV 1 OR { 43} (( segid " " and resid 7 and name HN )) ( segid " " and resid 38 and name HB% ) ASSI { 47} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HA )) 5.000 3.200 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.16693E-03 ppm1 7.969 ppm2 4.048 CV 1 OR { 47} (( segid " " and resid 7 and name HN )) (( segid " " and resid 35 and name HB1 )) ASSI { 48} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 3.100 1.300 1.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.70668E-03 ppm1 7.969 ppm2 4.657 CV 1 OR { 48} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) OR { 48} (( segid " " and resid 7 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 53} (( segid " " and resid 7 and name HN )) (( segid " " and resid 11 and name HN )) 4.500 2.700 1.500 peak 53 spectrum 1 weight 0.10000E+01 volume 0.22814E-03 ppm1 7.969 ppm2 8.506 CV 1 OR { 53} (( segid " " and resid 7 and name HN )) (( segid " " and resid 15 and name HN )) ASSI { 55} (( segid " " and resid 7 and name HN )) (( segid " " and resid 14 and name HN )) 4.700 2.900 1.300 peak 55 spectrum 1 weight 0.10000E+01 volume 0.17806E-03 ppm1 7.972 ppm2 9.798 CV 1 OR { 55} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HN )) ASSI { 1356} (( segid " " and resid 7 and name HA )) (( segid " " and resid 8 and name HB )) 6.000 4.200 0.000 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.46045E-04 ppm1 4.684 ppm2 4.384 CV 1 OR { 1356} (( segid " " and resid 7 and name HA )) (( segid " " and resid 9 and name HA )) ASSI { 1358} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB1 )) 2.900 1.100 1.700 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.26709E-02 ppm1 4.687 ppm2 3.152 CV 1 OR { 1358} (( segid " " and resid 35 and name HA )) (( segid " " and resid 7 and name HB1 )) ASSI { 1359} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB2 )) 2.800 1.000 1.500 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.12158E-02 ppm1 4.684 ppm2 2.738 CV 1 OR { 1359} (( segid " " and resid 35 and name HA )) (( segid " " and resid 7 and name HB2 )) ASSI { 1360} (( segid " " and resid 7 and name HA )) (( segid " " and resid 5 and name HB )) 4.500 2.700 1.500 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.37281E-03 ppm1 4.693 ppm2 1.868 CV 1 OR { 1360} (( segid " " and resid 7 and name HA )) (( segid " " and resid 34 and name HG11)) OR { 1360} (( segid " " and resid 35 and name HA )) (( segid " " and resid 34 and name HG11)) OR { 1360} (( segid " " and resid 35 and name HA )) (( segid " " and resid 17 and name HB2 )) ASSI { 1362} (( segid " " and resid 35 and name HA )) ( segid " " and resid 14 and name HB% ) 4.100 2.300 1.900 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.76650E-03 ppm1 4.679 ppm2 1.518 CV 1 OR { 1362} (( segid " " and resid 35 and name HA )) ( segid " " and resid 38 and name HB% ) OR { 1362} (( segid " " and resid 7 and name HA )) ( segid " " and resid 14 and name HB% ) OR { 1362} (( segid " " and resid 7 and name HA )) ( segid " " and resid 38 and name HB% ) ASSI { 1363} (( segid " " and resid 35 and name HA )) (( segid " " and resid 5 and name HG12)) 3.500 1.700 2.500 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.14328E-02 ppm1 4.681 ppm2 1.122 CV 1 OR { 1363} (( segid " " and resid 7 and name HA )) (( segid " " and resid 34 and name HG12)) OR { 1363} (( segid " " and resid 7 and name HA )) (( segid " " and resid 5 and name HG12)) OR { 1363} (( segid " " and resid 35 and name HA )) (( segid " " and resid 34 and name HG12)) ASSI { 1364} (( segid " " and resid 35 and name HA )) ( segid " " and resid 5 and name HD1%) 3.300 1.500 2.100 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.10239E-02 ppm1 4.685 ppm2 0.661 CV 1 OR { 1364} (( segid " " and resid 7 and name HA )) ( segid " " and resid 5 and name HD1%) OR { 1364} (( segid " " and resid 7 and name HA )) ( segid " " and resid 34 and name HD1%) OR { 1364} (( segid " " and resid 35 and name HA )) ( segid " " and resid 34 and name HD1%) OR { 1364} (( segid " " and resid 7 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 1372} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HA )) 3.000 1.200 1.800 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.10461E-02 ppm1 2.744 ppm2 4.668 CV 1 OR { 1372} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 6 and name HA )) OR { 1372} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 35 and name HA )) OR { 1372} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 14 and name HA )) ASSI { 1373} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 8 and name HA )) 2.900 1.100 1.700 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.60236E-03 ppm1 2.745 ppm2 4.044 CV 1 OR { 1373} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 35 and name HB1 )) ASSI { 1375} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 10 and name HB2 )) 4.300 2.500 1.700 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.48688E-03 ppm1 2.747 ppm2 1.725 CV 1 OR { 1375} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 12 and name HB2 )) ASSI { 1376} (( segid " " and resid 7 and name HB2 )) ( segid " " and resid 14 and name HB% ) 3.100 1.300 1.900 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.10336E-02 ppm1 2.746 ppm2 1.516 CV 1 OR { 1376} (( segid " " and resid 7 and name HB2 )) ( segid " " and resid 38 and name HB% ) ASSI { 1378} (( segid " " and resid 7 and name HB2 )) ( segid " " and resid 5 and name HD1%) 3.900 2.100 2.100 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.33386E-03 ppm1 2.742 ppm2 0.674 CV 1 OR { 1378} (( segid " " and resid 7 and name HB2 )) ( segid " " and resid 34 and name HD1%) OR { 1378} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 5 and name HG11)) OR { 1378} (( segid " " and resid 7 and name HB2 )) ( segid " " and resid 74 and name HD2%) ASSI { 1386} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 11 and name HN )) 4.700 2.900 1.300 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.58011E-03 ppm1 2.746 ppm2 8.535 CV 1 OR { 1386} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 15 and name HN )) ASSI { 1388} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HA )) 3.200 1.400 2.000 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.21701E-02 ppm1 3.158 ppm2 4.681 CV 1 OR { 1388} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 35 and name HA )) OR { 1388} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 6 and name HA )) OR { 1388} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 14 and name HA )) ASSI { 1390} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 35 and name HB1 )) 3.300 1.500 2.100 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.12103E-02 ppm1 3.169 ppm2 4.040 CV 1 OR { 1390} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 8 and name HA )) ASSI { 1393} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 10 and name HB2 )) 4.500 2.700 1.500 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.40898E-04 ppm1 3.153 ppm2 1.751 CV 1 OR { 1393} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 10 and name HG )) OR { 1393} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 12 and name HB2 )) ASSI { 1394} (( segid " " and resid 7 and name HB1 )) ( segid " " and resid 14 and name HB% ) 3.500 1.700 2.500 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.12270E-02 ppm1 3.157 ppm2 1.516 CV 1 OR { 1394} (( segid " " and resid 7 and name HB1 )) ( segid " " and resid 38 and name HB% ) OR { 1394} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 82 and name HG11)) ASSI { 1396} (( segid " " and resid 7 and name HB1 )) ( segid " " and resid 5 and name HD1%) 4.400 2.600 1.600 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.71500E-03 ppm1 3.162 ppm2 0.671 CV 1 OR { 1396} (( segid " " and resid 7 and name HB1 )) ( segid " " and resid 34 and name HD1%) OR { 1396} (( segid " " and resid 7 and name HB1 )) ( segid " " and resid 74 and name HD2%) ASSI { 1401} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 11 and name HN )) 3.000 1.200 1.800 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.11894E-02 ppm1 3.159 ppm2 8.549 CV 1 OR { 1401} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 15 and name HN )) OR { 1401} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 13 and name HN )) ASSI { 58} (( segid " " and resid 8 and name HN )) ( segid " " and resid 34 and name HD1%) 4.000 2.200 2.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.48549E-03 ppm1 9.835 ppm2 0.675 CV 1 OR { 58} (( segid " " and resid 8 and name HN )) ( segid " " and resid 5 and name HD1%) OR { 58} (( segid " " and resid 8 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 61} (( segid " " and resid 8 and name HN )) (( segid " " and resid 33 and name HB1 )) 6.000 4.200 0.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.15859E-03 ppm1 9.836 ppm2 2.372 CV 1 OR { 61} (( segid " " and resid 8 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 63} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HB1 )) 4.900 3.100 1.100 peak 63 spectrum 1 weight 0.10000E+01 volume 0.37699E-03 ppm1 9.835 ppm2 3.109 CV 1 OR { 63} (( segid " " and resid 8 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 64} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 3.500 1.700 2.500 peak 64 spectrum 1 weight 0.10000E+01 volume 0.34360E-03 ppm1 9.835 ppm2 4.060 CV 1 OR { 64} (( segid " " and resid 8 and name HN )) (( segid " " and resid 74 and name HA )) OR { 64} (( segid " " and resid 8 and name HN )) (( segid " " and resid 35 and name HB1 )) OR { 64} (( segid " " and resid 8 and name HN )) (( segid " " and resid 39 and name HA )) ASSI { 65} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB )) 3.300 1.500 2.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.51610E-03 ppm1 9.835 ppm2 4.402 CV 1 OR { 65} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HA )) ASSI { 66} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 2.800 1.000 1.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.84303E-03 ppm1 9.835 ppm2 4.678 CV 1 OR { 66} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HA )) ASSI { 72} (( segid " " and resid 8 and name HN )) (( segid " " and resid 11 and name HE22)) 5.600 3.800 0.400 peak 72 spectrum 1 weight 0.10000E+01 volume 0.17806E-03 ppm1 9.835 ppm2 8.432 CV 1 OR { 72} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HN )) ASSI { 1407} (( segid " " and resid 8 and name HA )) (( segid " " and resid 7 and name HA )) 4.900 3.100 1.100 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.98074E-04 ppm1 4.066 ppm2 4.682 CV 1 OR { 1407} (( segid " " and resid 8 and name HA )) (( segid " " and resid 6 and name HA )) OR { 1407} (( segid " " and resid 8 and name HA )) (( segid " " and resid 35 and name HA )) ASSI { 1408} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB )) 2.800 1.000 1.600 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.13327E-02 ppm1 4.067 ppm2 4.392 CV 1 OR { 1408} (( segid " " and resid 8 and name HA )) (( segid " " and resid 9 and name HA )) ASSI { 1411} (( segid " " and resid 8 and name HA )) (( segid " " and resid 9 and name HB1 )) 4.100 2.300 1.900 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.62879E-03 ppm1 4.061 ppm2 3.095 CV 1 OR { 1411} (( segid " " and resid 8 and name HA )) (( segid " " and resid 75 and name HB1 )) ASSI { 1417} (( segid " " and resid 8 and name HA )) ( segid " " and resid 34 and name HD1%) 4.700 2.900 1.300 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.32830E-03 ppm1 4.066 ppm2 0.686 CV 1 OR { 1417} (( segid " " and resid 8 and name HA )) ( segid " " and resid 74 and name HD2%) OR { 1417} (( segid " " and resid 8 and name HA )) ( segid " " and resid 30 and name HG2%) ASSI { 1428} (( segid " " and resid 8 and name HB )) (( segid " " and resid 7 and name HA )) 4.100 2.300 1.900 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.12492E-02 ppm1 4.409 ppm2 4.676 CV 1 OR { 1428} (( segid " " and resid 8 and name HB )) (( segid " " and resid 6 and name HA )) ASSI { 1430} (( segid " " and resid 8 and name HB )) (( segid " " and resid 8 and name HA )) 3.200 1.400 2.100 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.60372E-03 ppm1 4.407 ppm2 4.070 CV 1 OR { 1430} (( segid " " and resid 8 and name HB )) (( segid " " and resid 74 and name HA )) ASSI { 1431} (( segid " " and resid 8 and name HB )) (( segid " " and resid 9 and name HB1 )) 4.900 3.100 1.100 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.26014E-03 ppm1 4.403 ppm2 3.085 CV 1 OR { 1431} (( segid " " and resid 8 and name HB )) (( segid " " and resid 75 and name HB1 )) OR { 1431} (( segid " " and resid 8 and name HB )) (( segid " " and resid 73 and name HB1 )) ASSI { 1435} (( segid " " and resid 8 and name HB )) ( segid " " and resid 34 and name HD1%) 3.700 1.900 2.300 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.43541E-03 ppm1 4.407 ppm2 0.677 CV 1 OR { 1435} (( segid " " and resid 8 and name HB )) ( segid " " and resid 74 and name HD2%) OR { 1435} (( segid " " and resid 8 and name HB )) ( segid " " and resid 5 and name HD1%) ASSI { 1443} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 7 and name HA )) 4.300 2.500 1.700 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.38673E-03 ppm1 1.619 ppm2 4.679 CV 1 OR { 1443} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 6 and name HA )) ASSI { 1445} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 8 and name HA )) 3.100 1.300 1.900 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.11657E-02 ppm1 1.619 ppm2 4.073 CV 1 OR { 1445} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 74 and name HA )) OR { 1445} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 35 and name HB1 )) ASSI { 1447} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 75 and name HB2 )) 5.100 3.300 0.900 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.28935E-03 ppm1 1.619 ppm2 3.376 CV 1 OR { 1447} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 11 and name HA )) OR { 1447} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 73 and name HB2 )) ASSI { 1448} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 75 and name HB1 )) 4.500 2.700 1.500 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.73730E-03 ppm1 1.619 ppm2 3.083 CV 1 OR { 1448} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 9 and name HB1 )) OR { 1448} (( segid " " and resid 8 and name HG1 )) (( segid " " and resid 42 and name HB2 )) ASSI { 1456} (( segid " " and resid 8 and name HG1 )) ( segid " " and resid 34 and name HD1%) 4.000 2.200 2.000 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.71086E-03 ppm1 1.619 ppm2 0.683 CV 1 OR { 1456} (( segid " " and resid 8 and name HG1 )) ( segid " " and resid 30 and name HG2%) OR { 1456} (( segid " " and resid 8 and name HG1 )) ( segid " " and resid 74 and name HD2%) ASSI { 77} (( segid " " and resid 9 and name HN )) ( segid " " and resid 34 and name HD1%) 3.800 2.000 2.200 peak 77 spectrum 1 weight 0.10000E+01 volume 0.53696E-03 ppm1 9.226 ppm2 0.680 CV 1 OR { 77} (( segid " " and resid 9 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 79} (( segid " " and resid 9 and name HN )) ( segid " " and resid 34 and name HG2%) 4.500 2.700 1.500 peak 79 spectrum 1 weight 0.10000E+01 volume 0.86386E-03 ppm1 9.227 ppm2 1.282 CV 1 OR { 79} (( segid " " and resid 9 and name HN )) (( segid " " and resid 12 and name HG1 )) ASSI { 80} (( segid " " and resid 9 and name HN )) ( segid " " and resid 38 and name HB% ) 4.100 2.300 1.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.84020E-03 ppm1 9.225 ppm2 1.550 CV 1 OR { 80} (( segid " " and resid 9 and name HN )) ( segid " " and resid 14 and name HB% ) ASSI { 84} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 3.800 2.000 2.200 peak 84 spectrum 1 weight 0.10000E+01 volume 0.29074E-03 ppm1 9.226 ppm2 4.042 CV 1 OR { 84} (( segid " " and resid 9 and name HN )) (( segid " " and resid 35 and name HB1 )) ASSI { 85} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 3.500 1.700 2.400 peak 85 spectrum 1 weight 0.10000E+01 volume 0.48132E-03 ppm1 9.226 ppm2 4.398 CV 1 OR { 85} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB )) ASSI { 86} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HA )) 4.600 2.800 1.400 peak 86 spectrum 1 weight 0.10000E+01 volume 0.43124E-03 ppm1 9.226 ppm2 4.665 CV 1 OR { 86} (( segid " " and resid 9 and name HN )) (( segid " " and resid 35 and name HA )) OR { 86} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HA )) ASSI { 1475} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HA )) 3.000 1.200 1.800 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.32552E-02 ppm1 4.400 ppm2 4.075 CV 1 OR { 1475} (( segid " " and resid 9 and name HA )) (( segid " " and resid 74 and name HA )) OR { 1475} (( segid " " and resid 9 and name HA )) (( segid " " and resid 39 and name HA )) OR { 1475} (( segid " " and resid 9 and name HA )) (( segid " " and resid 35 and name HB1 )) ASSI { 1479} (( segid " " and resid 9 and name HA )) (( segid " " and resid 10 and name HB2 )) 3.900 2.100 2.100 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.16137E-02 ppm1 4.398 ppm2 1.694 CV 1 OR { 1479} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HB2 )) ASSI { 1483} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HN )) 3.800 2.000 2.200 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.93620E-03 ppm1 4.395 ppm2 8.516 CV 1 OR { 1483} (( segid " " and resid 9 and name HA )) (( segid " " and resid 74 and name HN )) ASSI { 1487} (( segid " " and resid 9 and name HA )) ( segid " " and resid 38 and name HB% ) 4.000 2.200 2.000 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.17110E-02 ppm1 4.402 ppm2 1.519 CV 1 OR { 1487} (( segid " " and resid 9 and name HA )) ( segid " " and resid 14 and name HB% ) ASSI { 1490} (( segid " " and resid 9 and name HA )) ( segid " " and resid 34 and name HD1%) 4.000 2.200 2.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.10336E-02 ppm1 4.401 ppm2 0.681 CV 1 OR { 1490} (( segid " " and resid 9 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 98} (( segid " " and resid 10 and name HN )) ( segid " " and resid 34 and name HD1%) 5.700 3.900 0.300 peak 98 spectrum 1 weight 0.10000E+01 volume 0.16972E-03 ppm1 10.321 ppm2 0.676 CV 1 OR { 98} (( segid " " and resid 10 and name HN )) ( segid " " and resid 5 and name HD1%) OR { 98} (( segid " " and resid 10 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 100} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.000 1.200 1.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.45628E-03 ppm1 10.320 ppm2 1.733 CV 1 OR { 100} (( segid " " and resid 10 and name HN )) (( segid " " and resid 12 and name HB2 )) ASSI { 101} (( segid " " and resid 10 and name HN )) ( segid " " and resid 38 and name HB% ) 3.800 2.000 2.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.94038E-03 ppm1 10.322 ppm2 1.501 CV 1 OR { 101} (( segid " " and resid 10 and name HN )) ( segid " " and resid 14 and name HB% ) ASSI { 103} (( segid " " and resid 10 and name HN )) (( segid " " and resid 7 and name HB2 )) 5.500 3.700 0.500 peak 103 spectrum 1 weight 0.10000E+01 volume 0.14189E-03 ppm1 10.320 ppm2 2.778 CV 1 OR { 103} (( segid " " and resid 10 and name HN )) (( segid " " and resid 34 and name HB )) ASSI { 107} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 4.300 2.500 1.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.25735E-03 ppm1 10.321 ppm2 4.409 CV 1 OR { 107} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HB )) ASSI { 108} (( segid " " and resid 10 and name HN )) (( segid " " and resid 35 and name HB2 )) 6.000 4.200 0.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.18641E-03 ppm1 10.321 ppm2 4.643 CV 1 OR { 108} (( segid " " and resid 10 and name HN )) (( segid " " and resid 6 and name HA )) OR { 108} (( segid " " and resid 10 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 1491} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB2 )) 2.800 1.000 1.600 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.25457E-02 ppm1 3.980 ppm2 1.751 CV 1 OR { 1491} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG )) OR { 1491} (( segid " " and resid 10 and name HA )) (( segid " " and resid 12 and name HB2 )) ASSI { 1497} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HN )) 3.400 1.600 2.300 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.83607E-03 ppm1 3.980 ppm2 8.558 CV 1 OR { 1497} (( segid " " and resid 10 and name HA )) (( segid " " and resid 13 and name HN )) ASSI { 1503} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 7 and name HB2 )) 6.000 4.200 0.000 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.15719E-03 ppm1 1.429 ppm2 2.777 CV 1 OR { 1503} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 37 and name HB1 )) ASSI { 1504} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 23 and name HB1 )) 3.700 1.900 2.300 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.13883E-02 ppm1 1.441 ppm2 2.297 CV 1 OR { 1504} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 11 and name HG2 )) OR { 1504} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 20 and name HG2 )) ASSI { 1508} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 12 and name HD1 )) 3.700 1.900 2.300 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.83884E-03 ppm1 1.433 ppm2 3.197 CV 1 OR { 1508} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 7 and name HB1 )) ASSI { 1515} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 14 and name HA )) 6.000 4.200 0.000 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.13577E-03 ppm1 1.449 ppm2 4.704 CV 1 OR { 1515} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 7 and name HA )) OR { 1515} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 35 and name HA )) ASSI { 1518} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HA )) 3.400 1.600 2.300 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.40063E-03 ppm1 1.722 ppm2 4.438 CV 1 OR { 1518} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 9 and name HA )) ASSI { 1526} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 11 and name HN )) 2.900 1.100 1.700 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.15997E-02 ppm1 1.730 ppm2 8.530 CV 1 OR { 1526} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 13 and name HN )) OR { 1526} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 15 and name HN )) ASSI { 1527} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HN )) 3.200 1.400 2.000 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.42985E-03 ppm1 1.726 ppm2 7.838 CV 1 OR { 1527} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 62 and name HN )) OR { 1527} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 56 and name HD21)) ASSI { 1531} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 14 and name HA )) 3.700 1.900 2.300 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.19336E-02 ppm1 1.018 ppm2 4.662 CV 1 OR { 1531} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 35 and name HA )) OR { 1531} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 7 and name HA )) OR { 1531} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 6 and name HA )) OR { 1531} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 15 and name HA )) ASSI { 1533} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 7 and name HB1 )) 3.800 2.000 2.200 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.11324E-02 ppm1 1.018 ppm2 3.197 CV 1 OR { 1533} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 12 and name HD1 )) ASSI { 1534} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 37 and name HB1 )) 3.400 1.600 2.400 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.20310E-02 ppm1 1.017 ppm2 2.802 CV 1 OR { 1534} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 34 and name HB )) ASSI { 1536} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HG )) 2.300 0.500 1.000 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.46045E-02 ppm1 1.007 ppm2 1.750 CV 1 OR { 1536} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HB2 )) OR { 1536} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 12 and name HB2 )) ASSI { 1544} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 15 and name HN )) 4.400 2.600 1.600 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.10517E-02 ppm1 1.021 ppm2 8.534 CV 1 OR { 1544} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 11 and name HN )) OR { 1544} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 13 and name HN )) ASSI { 1545} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 38 and name HN )) 3.100 1.300 1.900 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.20727E-02 ppm1 1.020 ppm2 8.353 CV 1 OR { 1545} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 34 and name HN )) OR { 1545} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 40 and name HN )) ASSI { 122} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.300 1.500 2.200 peak 122 spectrum 1 weight 0.10000E+01 volume 0.65245E-03 ppm1 8.531 ppm2 1.703 CV 1 OR { 122} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HB2 )) ASSI { 127} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HA )) 4.700 2.900 1.300 peak 127 spectrum 1 weight 0.10000E+01 volume 0.27404E-03 ppm1 8.538 ppm2 4.410 CV 1 OR { 127} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HB )) ASSI { 128} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HA )) 4.200 2.400 1.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.38255E-03 ppm1 8.532 ppm2 4.033 CV 1 OR { 128} (( segid " " and resid 11 and name HN )) (( segid " " and resid 35 and name HB1 )) ASSI { 129} (( segid " " and resid 11 and name HN )) (( segid " " and resid 6 and name HA )) 5.400 3.600 0.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.21284E-03 ppm1 8.538 ppm2 4.626 CV 1 OR { 129} (( segid " " and resid 11 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 131} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HE21)) 3.600 1.800 2.400 peak 131 spectrum 1 weight 0.10000E+01 volume 0.28935E-03 ppm1 8.534 ppm2 7.410 CV 1 OR { 131} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HE )) ASSI { 1551} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HB2 )) 6.000 4.200 0.000 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.46463E-04 ppm1 3.391 ppm2 1.728 CV 1 OR { 1551} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HB2 )) ASSI { 138} (( segid " " and resid 12 and name HN )) ( segid " " and resid 5 and name HD1%) 5.500 3.700 0.500 peak 138 spectrum 1 weight 0.10000E+01 volume 0.15441E-03 ppm1 6.781 ppm2 0.671 CV 1 OR { 138} (( segid " " and resid 12 and name HN )) ( segid " " and resid 34 and name HD1%) ASSI { 140} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG2 )) 2.700 0.900 1.400 peak 140 spectrum 1 weight 0.10000E+01 volume 0.14885E-02 ppm1 6.782 ppm2 1.403 CV 1 OR { 140} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HB1 )) ASSI { 141} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.300 1.500 2.100 peak 141 spectrum 1 weight 0.10000E+01 volume 0.65658E-03 ppm1 6.782 ppm2 1.717 CV 1 OR { 141} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) ASSI { 1590} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) 2.700 0.900 1.500 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.20449E-02 ppm1 4.510 ppm2 1.728 CV 1 OR { 1590} (( segid " " and resid 12 and name HA )) (( segid " " and resid 10 and name HB2 )) ASSI { 1598} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HA )) 2.400 0.600 1.200 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.36307E-02 ppm1 2.116 ppm2 4.513 CV 1 OR { 1598} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HA )) OR { 1598} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HA )) ASSI { 1600} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HD1 )) 2.700 0.900 1.400 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.16832E-02 ppm1 2.121 ppm2 3.210 CV 1 OR { 1600} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 63 and name HD1 )) ASSI { 1604} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 13 and name HN )) 3.400 1.600 2.300 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.41455E-02 ppm1 2.115 ppm2 8.538 CV 1 OR { 1604} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 11 and name HN )) ASSI { 1609} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 10 and name HA )) 5.200 3.400 0.800 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.69835E-03 ppm1 1.735 ppm2 4.021 CV 1 OR { 1609} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 35 and name HB1 )) ASSI { 1614} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HB2 )) 3.300 1.500 2.200 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.15580E-02 ppm1 3.228 ppm2 1.734 CV 1 OR { 1614} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 10 and name HB2 )) ASSI { 1625} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 13 and name HN )) 3.800 2.000 2.200 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.54809E-03 ppm1 1.290 ppm2 8.558 CV 1 OR { 1625} (( segid " " and resid 12 and name HG1 )) (( segid " " and resid 11 and name HN )) ASSI { 1627} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HD1 )) 2.200 0.400 1.000 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.36864E-02 ppm1 1.386 ppm2 3.199 CV 1 OR { 1627} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 7 and name HB1 )) ASSI { 158} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HD1 )) 3.100 1.300 1.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.71500E-03 ppm1 8.570 ppm2 3.192 CV 1 OR { 158} (( segid " " and resid 13 and name HN )) (( segid " " and resid 7 and name HB1 )) ASSI { 167} (( segid " " and resid 13 and name HN )) ( segid " " and resid 6 and name HD% ) 2.000 0.200 4.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.81518E-03 ppm1 8.567 ppm2 7.190 CV 1 OR { 167} (( segid " " and resid 13 and name HN )) (( segid " " and resid 41 and name HE21)) ASSI { 1633} (( segid " " and resid 13 and name HA )) (( segid " " and resid 6 and name HA )) 2.700 0.900 1.400 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.46463E-02 ppm1 5.607 ppm2 4.662 CV 1 OR { 1633} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HA )) OR { 1633} (( segid " " and resid 13 and name HA )) (( segid " " and resid 15 and name HA )) OR { 1633} (( segid " " and resid 13 and name HA )) (( segid " " and resid 35 and name HA )) ASSI { 1641} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HB2 )) 4.700 2.900 1.300 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.35890E-03 ppm1 5.607 ppm2 1.713 CV 1 OR { 1641} (( segid " " and resid 13 and name HA )) (( segid " " and resid 10 and name HB2 )) ASSI { 1645} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HN )) 3.300 1.500 2.200 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.66354E-03 ppm1 5.610 ppm2 8.568 CV 1 OR { 1645} (( segid " " and resid 13 and name HA )) (( segid " " and resid 15 and name HN )) ASSI { 1647} (( segid " " and resid 13 and name HA )) ( segid " " and resid 6 and name HD% ) 2.100 0.300 3.900 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.47297E-03 ppm1 5.610 ppm2 7.212 CV 1 OR { 1647} (( segid " " and resid 13 and name HA )) (( segid " " and resid 41 and name HE21)) ASSI { 1648} (( segid " " and resid 13 and name HA )) ( segid " " and resid 6 and name HE% ) 2.500 0.700 3.500 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.17249E-03 ppm1 5.602 ppm2 6.779 CV 1 OR { 1648} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HN )) ASSI { 170} (( segid " " and resid 14 and name HN )) (( segid " " and resid 5 and name HG11)) 4.400 2.600 1.600 peak 170 spectrum 1 weight 0.10000E+01 volume 0.24344E-03 ppm1 9.783 ppm2 0.694 CV 1 OR { 170} (( segid " " and resid 14 and name HN )) ( segid " " and resid 34 and name HD1%) ASSI { 177} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 3.400 1.600 2.300 peak 177 spectrum 1 weight 0.10000E+01 volume 0.78179E-03 ppm1 9.783 ppm2 4.672 CV 1 OR { 177} (( segid " " and resid 14 and name HN )) (( segid " " and resid 6 and name HA )) OR { 177} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HA )) OR { 177} (( segid " " and resid 14 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 179} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HN )) 3.200 1.400 2.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.35334E-04 ppm1 9.784 ppm2 6.794 CV 1 OR { 179} (( segid " " and resid 14 and name HN )) ( segid " " and resid 6 and name HE% ) ASSI { 182} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HN )) 5.100 3.300 0.900 peak 182 spectrum 1 weight 0.10000E+01 volume 0.23788E-03 ppm1 9.783 ppm2 8.540 CV 1 OR { 182} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) ASSI { 1653} (( segid " " and resid 14 and name HA )) (( segid " " and resid 13 and name HB2 )) 3.900 2.100 2.100 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.79429E-03 ppm1 4.689 ppm2 2.557 CV 1 OR { 1653} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HG1 )) ASSI { 1659} (( segid " " and resid 14 and name HA )) ( segid " " and resid 5 and name HD1%) 5.900 4.100 0.100 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.10892E-03 ppm1 4.686 ppm2 0.641 CV 1 OR { 1659} (( segid " " and resid 14 and name HA )) ( segid " " and resid 34 and name HD1%) ASSI { 1660} (( segid " " and resid 14 and name HA )) ( segid " " and resid 4 and name HG2%) 4.200 2.400 1.800 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.38255E-03 ppm1 4.687 ppm2 1.217 CV 1 OR { 1660} (( segid " " and resid 14 and name HA )) ( segid " " and resid 34 and name HG2%) ASSI { 1669} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 14 and name HA )) 2.600 0.800 1.300 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.35751E-02 ppm1 1.532 ppm2 4.672 CV 1 OR { 1669} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 35 and name HA )) OR { 1669} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 15 and name HA )) ASSI { 1677} ( segid " " and resid 14 and name HB% ) ( segid " " and resid 5 and name HG2%) 3.700 1.900 2.300 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.22814E-02 ppm1 1.519 ppm2 0.803 CV 1 OR { 1677} ( segid " " and resid 14 and name HB% ) ( segid " " and resid 74 and name HD1%) ASSI { 1678} ( segid " " and resid 14 and name HB% ) ( segid " " and resid 5 and name HD1%) 3.100 1.300 1.900 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.14885E-02 ppm1 1.520 ppm2 0.642 CV 1 OR { 1678} ( segid " " and resid 14 and name HB% ) ( segid " " and resid 34 and name HD1%) ASSI { 1680} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 14 and name HN )) 3.000 1.200 1.800 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.10711E-02 ppm1 1.532 ppm2 9.811 CV 1 OR { 1680} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 8 and name HN )) ASSI { 1681} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 37 and name HN )) 4.200 2.400 1.800 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.91254E-03 ppm1 1.534 ppm2 9.131 CV 1 OR { 1681} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 5 and name HN )) ASSI { 186} (( segid " " and resid 15 and name HN )) (( segid " " and resid 5 and name HG11)) 3.400 1.600 2.300 peak 186 spectrum 1 weight 0.10000E+01 volume 0.15024E-02 ppm1 8.524 ppm2 0.697 CV 1 OR { 186} (( segid " " and resid 15 and name HN )) ( segid " " and resid 34 and name HD1%) OR { 186} (( segid " " and resid 15 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 191} (( segid " " and resid 15 and name HN )) (( segid " " and resid 7 and name HB1 )) 5.500 3.700 0.500 peak 191 spectrum 1 weight 0.10000E+01 volume 0.55087E-03 ppm1 8.525 ppm2 3.128 CV 1 OR { 191} (( segid " " and resid 15 and name HN )) (( segid " " and resid 36 and name HE2 )) ASSI { 193} (( segid " " and resid 15 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.900 2.100 2.100 peak 193 spectrum 1 weight 0.10000E+01 volume 0.12645E-02 ppm1 8.524 ppm2 4.058 CV 1 OR { 193} (( segid " " and resid 15 and name HN )) (( segid " " and resid 36 and name HA )) OR { 193} (( segid " " and resid 15 and name HN )) (( segid " " and resid 17 and name HA )) ASSI { 194} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 2.800 1.000 1.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.17945E-02 ppm1 8.530 ppm2 4.670 CV 1 OR { 194} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) OR { 194} (( segid " " and resid 15 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 199} (( segid " " and resid 15 and name HN )) (( segid " " and resid 37 and name HN )) 4.500 2.700 1.500 peak 199 spectrum 1 weight 0.10000E+01 volume 0.31160E-03 ppm1 8.526 ppm2 9.132 CV 1 OR { 199} (( segid " " and resid 15 and name HN )) (( segid " " and resid 5 and name HN )) ASSI { 1688} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HA2 )) 4.300 2.500 1.700 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.88610E-03 ppm1 4.627 ppm2 3.356 CV 1 OR { 1688} (( segid " " and resid 15 and name HA )) (( segid " " and resid 36 and name HE1 )) ASSI { 1692} (( segid " " and resid 15 and name HA )) ( segid " " and resid 14 and name HB% ) 4.000 2.200 2.000 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.10767E-02 ppm1 4.623 ppm2 1.500 CV 1 OR { 1692} (( segid " " and resid 15 and name HA )) (( segid " " and resid 36 and name HD2 )) OR { 1692} (( segid " " and resid 15 and name HA )) (( segid " " and resid 3 and name HG2 )) ASSI { 1695} (( segid " " and resid 15 and name HA )) (( segid " " and resid 5 and name HN )) 3.300 1.500 2.100 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.15719E-02 ppm1 4.628 ppm2 9.106 CV 1 OR { 1695} (( segid " " and resid 15 and name HA )) (( segid " " and resid 37 and name HN )) ASSI { 1697} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HA )) 2.400 0.600 1.100 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.32691E-02 ppm1 2.076 ppm2 4.642 CV 1 OR { 1697} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 35 and name HA )) OR { 1697} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 35 and name HB2 )) ASSI { 1700} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HA )) 2.700 0.900 1.500 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.24483E-02 ppm1 2.128 ppm2 4.638 CV 1 OR { 1700} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 35 and name HB2 )) ASSI { 1704} (( segid " " and resid 33 and name HG1 )) (( segid " " and resid 33 and name HA )) 3.200 1.400 2.000 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.13132E-02 ppm1 2.566 ppm2 4.948 CV 1 OR { 1704} (( segid " " and resid 33 and name HG1 )) (( segid " " and resid 75 and name HA )) ASSI { 1705} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 15 and name HA )) 2.700 0.900 1.500 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.14607E-02 ppm1 2.568 ppm2 4.635 CV 1 OR { 1705} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 35 and name HB2 )) ASSI { 1708} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 36 and name HE1 )) 4.800 3.000 1.200 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.50636E-03 ppm1 2.572 ppm2 3.374 CV 1 OR { 1708} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 16 and name HA2 )) OR { 1708} (( segid " " and resid 33 and name HG1 )) (( segid " " and resid 75 and name HB2 )) ASSI { 1713} (( segid " " and resid 33 and name HG1 )) ( segid " " and resid 30 and name HD1%) 5.000 3.200 1.000 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.83046E-03 ppm1 2.572 ppm2 0.890 CV 1 OR { 1713} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 36 and name HG2 )) OR { 1713} (( segid " " and resid 33 and name HG1 )) ( segid " " and resid 26 and name HD1%) ASSI { 1714} (( segid " " and resid 33 and name HG1 )) ( segid " " and resid 30 and name HG2%) 3.700 1.900 2.300 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.56619E-03 ppm1 2.571 ppm2 0.684 CV 1 OR { 1714} (( segid " " and resid 33 and name HG1 )) ( segid " " and resid 34 and name HD1%) OR { 1714} (( segid " " and resid 33 and name HG1 )) ( segid " " and resid 74 and name HD2%) ASSI { 1717} (( segid " " and resid 15 and name HG1 )) (( segid " " and resid 15 and name HN )) 3.700 1.900 2.300 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.13591E-02 ppm1 2.561 ppm2 8.537 CV 1 OR { 1717} (( segid " " and resid 33 and name HG1 )) (( segid " " and resid 30 and name HN )) ASSI { 1718} (( segid " " and resid 33 and name HG1 )) (( segid " " and resid 32 and name HD22)) 4.700 2.900 1.300 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.42985E-03 ppm1 2.572 ppm2 7.075 CV 1 OR { 1718} (( segid " " and resid 33 and name HG1 )) ( segid " " and resid 9 and name HD% ) ASSI { 204} (( segid " " and resid 16 and name HN )) ( segid " " and resid 4 and name HG2%) 2.500 0.700 3.500 peak 204 spectrum 1 weight 0.10000E+01 volume 0.28935E-03 ppm1 9.324 ppm2 1.169 CV 1 OR { 204} (( segid " " and resid 16 and name HN )) (( segid " " and resid 34 and name HG12)) ASSI { 205} (( segid " " and resid 16 and name HN )) (( segid " " and resid 36 and name HD2 )) 4.000 2.200 2.000 peak 205 spectrum 1 weight 0.10000E+01 volume 0.41038E-03 ppm1 9.325 ppm2 1.479 CV 1 OR { 205} (( segid " " and resid 16 and name HN )) (( segid " " and resid 3 and name HG2 )) ASSI { 206} (( segid " " and resid 16 and name HN )) (( segid " " and resid 3 and name HB1 )) 3.200 1.400 2.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.44376E-03 ppm1 9.324 ppm2 1.783 CV 1 OR { 206} (( segid " " and resid 16 and name HN )) (( segid " " and resid 23 and name HG1 )) ASSI { 209} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA2 )) 3.900 2.100 2.100 peak 209 spectrum 1 weight 0.10000E+01 volume 0.41315E-03 ppm1 9.325 ppm2 3.355 CV 1 OR { 209} (( segid " " and resid 16 and name HN )) (( segid " " and resid 36 and name HE1 )) ASSI { 211} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 2.800 1.000 1.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.11240E-02 ppm1 9.324 ppm2 4.663 CV 1 OR { 211} (( segid " " and resid 16 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 1720} (( segid " " and resid 16 and name HA1 )) (( segid " " and resid 15 and name HA )) 4.300 2.500 1.700 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.69694E-03 ppm1 4.165 ppm2 4.662 CV 1 OR { 1720} (( segid " " and resid 16 and name HA1 )) (( segid " " and resid 32 and name HA )) OR { 1720} (( segid " " and resid 16 and name HA1 )) (( segid " " and resid 35 and name HA )) OR { 1720} (( segid " " and resid 16 and name HA1 )) (( segid " " and resid 17 and name HE22)) ASSI { 1722} (( segid " " and resid 16 and name HA1 )) (( segid " " and resid 3 and name HG2 )) 6.000 4.200 0.000 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.26014E-05 ppm1 4.183 ppm2 1.488 CV 1 OR { 1722} (( segid " " and resid 16 and name HA1 )) (( segid " " and resid 36 and name HD2 )) OR { 1722} (( segid " " and resid 16 and name HA1 )) ( segid " " and resid 14 and name HB% ) ASSI { 1731} (( segid " " and resid 16 and name HA2 )) (( segid " " and resid 36 and name HD2 )) 4.100 2.300 1.900 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.60236E-03 ppm1 3.365 ppm2 1.485 CV 1 OR { 1731} (( segid " " and resid 16 and name HA2 )) ( segid " " and resid 14 and name HB% ) ASSI { 1732} (( segid " " and resid 16 and name HA2 )) (( segid " " and resid 17 and name HG2 )) 5.600 3.800 0.400 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.14050E-03 ppm1 3.377 ppm2 2.577 CV 1 OR { 1732} (( segid " " and resid 16 and name HA2 )) (( segid " " and resid 15 and name HG1 )) ASSI { 1733} (( segid " " and resid 16 and name HA2 )) (( segid " " and resid 15 and name HA )) 3.700 1.900 2.300 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.12103E-02 ppm1 3.375 ppm2 4.637 CV 1 OR { 1733} (( segid " " and resid 16 and name HA2 )) (( segid " " and resid 32 and name HA )) OR { 1733} (( segid " " and resid 16 and name HA2 )) (( segid " " and resid 35 and name HB2 )) ASSI { 222} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HG2 )) 5.400 3.600 0.600 peak 222 spectrum 1 weight 0.10000E+01 volume 0.22814E-03 ppm1 9.970 ppm2 2.616 CV 1 OR { 222} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HG1 )) ASSI { 223} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA2 )) 3.900 2.100 2.100 peak 223 spectrum 1 weight 0.10000E+01 volume 0.19336E-03 ppm1 9.970 ppm2 3.356 CV 1 OR { 223} (( segid " " and resid 17 and name HN )) (( segid " " and resid 36 and name HE1 )) ASSI { 224} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 3.100 1.300 1.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.34777E-03 ppm1 9.970 ppm2 4.128 CV 1 OR { 224} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA1 )) ASSI { 225} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) 5.400 3.600 0.600 peak 225 spectrum 1 weight 0.10000E+01 volume 0.97514E-04 ppm1 9.970 ppm2 4.648 CV 1 OR { 225} (( segid " " and resid 17 and name HN )) (( segid " " and resid 35 and name HA )) OR { 225} (( segid " " and resid 17 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 1741} (( segid " " and resid 17 and name HA )) (( segid " " and resid 36 and name HE1 )) 2.700 0.900 1.400 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.10948E-02 ppm1 4.086 ppm2 3.374 CV 1 OR { 1741} (( segid " " and resid 74 and name HA )) (( segid " " and resid 73 and name HB2 )) OR { 1741} (( segid " " and resid 17 and name HA )) (( segid " " and resid 16 and name HA2 )) ASSI { 1742} (( segid " " and resid 17 and name HA )) (( segid " " and resid 36 and name HE2 )) 3.600 1.800 2.400 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.16137E-02 ppm1 4.094 ppm2 3.101 CV 1 OR { 1742} (( segid " " and resid 74 and name HA )) (( segid " " and resid 42 and name HB2 )) ASSI { 1744} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HG2 )) 3.500 1.700 2.400 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.14050E-02 ppm1 4.094 ppm2 2.614 CV 1 OR { 1744} (( segid " " and resid 17 and name HA )) (( segid " " and resid 15 and name HG1 )) ASSI { 1755} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HN )) 2.400 0.600 3.600 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.47854E-02 ppm1 4.082 ppm2 8.048 CV 1 OR { 1755} (( segid " " and resid 17 and name HA )) (( segid " " and resid 20 and name HN )) ASSI { 1756} (( segid " " and resid 74 and name HA )) (( segid " " and resid 42 and name HD1 )) 4.500 2.700 1.500 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.13827E-02 ppm1 4.091 ppm2 7.276 CV 1 OR { 1756} (( segid " " and resid 74 and name HA )) ( segid " " and resid 73 and name HE% ) ASSI { 1760} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HA )) 2.700 0.900 1.500 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.40620E-02 ppm1 2.331 ppm2 4.041 CV 1 OR { 1760} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 20 and name HA )) ASSI { 1763} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HG2 )) 1.800 0.000 4.200 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.10836E-01 ppm1 2.325 ppm2 2.598 CV 1 OR { 1763} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 68 and name HG2 )) ASSI { 1765} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 78 and name HB1 )) 6.000 4.200 0.000 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.80963E-04 ppm1 2.323 ppm2 1.819 CV 1 OR { 1765} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 23 and name HG1 )) ASSI { 1766} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 36 and name HD2 )) 4.600 2.800 1.400 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.37281E-03 ppm1 2.327 ppm2 1.510 CV 1 OR { 1766} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 28 and name HG2 )) OR { 1766} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 82 and name HG11)) OR { 1766} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 21 and name HG )) ASSI { 1767} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 36 and name HG2 )) 3.100 1.300 1.900 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.25179E-02 ppm1 2.325 ppm2 0.855 CV 1 OR { 1767} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 80 and name HG1%) OR { 1767} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 21 and name HD1%) OR { 1767} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 82 and name HD1%) ASSI { 1770} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HN )) 2.800 1.000 1.500 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.17945E-02 ppm1 2.337 ppm2 8.300 CV 1 OR { 1770} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 66 and name HN )) ASSI { 1775} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HA )) 2.500 0.700 1.200 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.42290E-02 ppm1 1.854 ppm2 4.103 CV 1 OR { 1775} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 36 and name HA )) ASSI { 1781} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 17 and name HE22)) 3.800 2.000 2.200 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.80686E-03 ppm1 2.224 ppm2 4.706 CV 1 OR { 1781} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 35 and name HA )) ASSI { 1782} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 17 and name HA )) 2.200 0.400 3.800 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.32413E-02 ppm1 2.220 ppm2 4.083 CV 1 OR { 1782} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 36 and name HA )) OR { 1782} (( segid " " and resid 17 and name HG1 )) (( segid " " and resid 20 and name HA )) ASSI { 1788} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 17 and name HE22)) 4.500 2.700 1.500 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.28100E-03 ppm1 2.607 ppm2 4.687 CV 1 OR { 1788} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 35 and name HA )) OR { 1788} (( segid " " and resid 17 and name HG2 )) (( segid " " and resid 22 and name HA )) ASSI { 241} (( segid " " and resid 18 and name HN )) (( segid " " and resid 36 and name HE1 )) 3.400 1.600 2.300 peak 241 spectrum 1 weight 0.10000E+01 volume 0.84858E-03 ppm1 8.995 ppm2 3.385 CV 1 OR { 241} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HA2 )) ASSI { 242} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) 2.800 1.000 1.600 peak 242 spectrum 1 weight 0.10000E+01 volume 0.97378E-03 ppm1 9.000 ppm2 4.099 CV 1 OR { 242} (( segid " " and resid 18 and name HN )) (( segid " " and resid 20 and name HA )) OR { 242} (( segid " " and resid 18 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 1795} (( segid " " and resid 18 and name HA )) (( segid " " and resid 16 and name HA2 )) 3.100 1.300 2.900 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.21145E-02 ppm1 4.565 ppm2 3.351 CV 1 OR { 1795} (( segid " " and resid 18 and name HA )) (( segid " " and resid 36 and name HE1 )) ASSI { 1798} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HG1 )) 2.300 0.500 1.100 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.82350E-02 ppm1 4.565 ppm2 2.325 CV 1 OR { 1798} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB2 )) OR { 1798} (( segid " " and resid 18 and name HA )) (( segid " " and resid 17 and name HB1 )) ASSI { 252} (( segid " " and resid 19 and name HN )) (( segid " " and resid 36 and name HD2 )) 3.600 1.800 2.400 peak 252 spectrum 1 weight 0.10000E+01 volume 0.34082E-03 ppm1 7.768 ppm2 1.471 CV 1 OR { 252} (( segid " " and resid 19 and name HN )) (( segid " " and resid 21 and name HB1 )) OR { 252} (( segid " " and resid 19 and name HN )) (( segid " " and resid 28 and name HG2 )) ASSI { 257} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HA )) 4.400 2.600 1.600 peak 257 spectrum 1 weight 0.10000E+01 volume 0.42290E-03 ppm1 7.768 ppm2 4.100 CV 1 OR { 257} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HA )) ASSI { 263} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HE% ) 5.800 4.000 0.200 peak 263 spectrum 1 weight 0.10000E+01 volume 0.20310E-03 ppm1 7.768 ppm2 6.855 CV 1 OR { 263} (( segid " " and resid 19 and name HN )) ( segid " " and resid 31 and name HD% ) ASSI { 1820} (( segid " " and resid 19 and name HA )) (( segid " " and resid 20 and name HG2 )) 6.000 4.200 0.000 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.14467E-03 ppm1 4.805 ppm2 2.329 CV 1 OR { 1820} (( segid " " and resid 19 and name HA )) (( segid " " and resid 17 and name HB1 )) ASSI { 1830} (( segid " " and resid 19 and name HA )) ( segid " " and resid 19 and name HE% ) 4.700 2.900 1.300 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.45489E-03 ppm1 4.814 ppm2 6.851 CV 1 OR { 1830} (( segid " " and resid 19 and name HA )) ( segid " " and resid 31 and name HD% ) ASSI { 1856} (( segid " " and resid 20 and name HA )) (( segid " " and resid 19 and name HB1 )) 3.300 1.500 2.200 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.18362E-02 ppm1 4.069 ppm2 3.197 CV 1 OR { 1856} (( segid " " and resid 20 and name HA )) (( segid " " and resid 31 and name HB2 )) ASSI { 1858} (( segid " " and resid 20 and name HA )) (( segid " " and resid 17 and name HG1 )) 3.400 1.600 2.300 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.41176E-02 ppm1 4.069 ppm2 2.266 CV 1 OR { 1858} (( segid " " and resid 20 and name HA )) (( segid " " and resid 23 and name HB1 )) ASSI { 1859} (( segid " " and resid 20 and name HA )) (( segid " " and resid 22 and name HN )) 3.900 2.100 2.100 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.83329E-03 ppm1 4.070 ppm2 8.262 CV 1 OR { 1859} (( segid " " and resid 74 and name HA )) (( segid " " and resid 73 and name HN )) ASSI { 1860} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HN )) 2.600 0.800 1.300 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.17806E-02 ppm1 4.067 ppm2 8.010 CV 1 OR { 1860} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HN )) OR { 1860} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HE21)) ASSI { 1864} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HA )) 2.500 0.700 1.300 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.52445E-02 ppm1 1.751 ppm2 4.076 CV 1 OR { 1864} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HA )) OR { 1864} (( segid " " and resid 74 and name HG )) (( segid " " and resid 39 and name HA )) ASSI { 1865} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HN )) 3.000 1.200 1.800 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.10210E-02 ppm1 1.750 ppm2 8.011 CV 1 OR { 1865} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 21 and name HN )) OR { 1865} (( segid " " and resid 74 and name HG )) (( segid " " and resid 75 and name HN )) ASSI { 1867} (( segid " " and resid 74 and name HG )) (( segid " " and resid 42 and name HD1 )) 2.600 0.800 1.300 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.40759E-02 ppm1 1.750 ppm2 7.298 CV 1 OR { 1867} (( segid " " and resid 20 and name HB2 )) ( segid " " and resid 22 and name HD% ) OR { 1867} (( segid " " and resid 74 and name HG )) (( segid " " and resid 39 and name HE3 )) ASSI { 1872} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 23 and name HB1 )) 3.500 1.700 2.500 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.26292E-02 ppm1 1.374 ppm2 2.252 CV 1 OR { 1872} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 17 and name HG1 )) ASSI { 1875} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 21 and name HN )) 3.600 1.800 2.400 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.46045E-03 ppm1 1.381 ppm2 8.012 CV 1 OR { 1875} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HN )) ASSI { 1878} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HN )) 2.700 0.900 1.500 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.21562E-02 ppm1 2.208 ppm2 8.009 CV 1 OR { 1878} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HE21)) OR { 1878} (( segid " " and resid 70 and name HG1 )) (( segid " " and resid 71 and name HN )) OR { 1878} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 21 and name HN )) ASSI { 1882} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HE21)) 2.700 0.900 1.400 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.12506E-02 ppm1 2.308 ppm2 7.992 CV 1 OR { 1882} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HN )) OR { 1882} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 21 and name HN )) ASSI { 270} (( segid " " and resid 21 and name HN )) (( segid " " and resid 23 and name HB1 )) 4.500 2.700 1.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.28796E-03 ppm1 7.993 ppm2 2.267 CV 1 OR { 270} (( segid " " and resid 21 and name HN )) (( segid " " and resid 17 and name HG1 )) ASSI { 280} (( segid " " and resid 21 and name HN )) ( segid " " and resid 22 and name HD% ) 5.600 3.800 0.400 peak 280 spectrum 1 weight 0.10000E+01 volume 0.10753E-03 ppm1 7.992 ppm2 7.304 CV 1 OR { 280} (( segid " " and resid 21 and name HN )) (( segid " " and resid 17 and name HE21)) ASSI { 1887} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 3.300 1.500 2.200 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.64685E-03 ppm1 4.313 ppm2 7.999 CV 1 OR { 1887} (( segid " " and resid 21 and name HA )) (( segid " " and resid 20 and name HN )) ASSI { 1895} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 22 and name HA )) 6.000 4.200 0.000 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.26152E-03 ppm1 0.824 ppm2 4.701 CV 1 OR { 1895} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 17 and name HE22)) ASSI { 1896} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 23 and name HA )) 4.600 2.800 1.400 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.65936E-03 ppm1 0.824 ppm2 4.569 CV 1 OR { 1896} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 27 and name HA1 )) ASSI { 1903} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 17 and name HG1 )) 3.000 1.200 1.900 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.51888E-02 ppm1 0.817 ppm2 2.265 CV 1 OR { 1903} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 23 and name HB1 )) ASSI { 1904} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 23 and name HG1 )) 3.000 1.200 3.000 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.91537E-02 ppm1 0.825 ppm2 1.791 CV 1 OR { 1904} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 28 and name HD2 )) ASSI { 1914} ( segid " " and resid 21 and name HD1%) ( segid " " and resid 22 and name HD% ) 3.900 2.100 2.100 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.20866E-02 ppm1 0.824 ppm2 7.320 CV 1 OR { 1914} ( segid " " and resid 21 and name HD1%) (( segid " " and resid 17 and name HE21)) ASSI { 1917} (( segid " " and resid 26 and name HG )) (( segid " " and resid 29 and name HD1 )) 3.600 1.800 2.400 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.17110E-02 ppm1 1.511 ppm2 2.871 CV 1 OR { 1917} (( segid " " and resid 26 and name HG )) (( segid " " and resid 33 and name HB2 )) ASSI { 284} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB1 )) 3.500 1.700 2.500 peak 284 spectrum 1 weight 0.10000E+01 volume 0.16276E-02 ppm1 8.268 ppm2 1.468 CV 1 OR { 284} (( segid " " and resid 22 and name HN )) (( segid " " and resid 28 and name HG2 )) ASSI { 285} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HB2 )) 3.100 1.300 1.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.20866E-02 ppm1 8.268 ppm2 1.770 CV 1 OR { 285} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HG1 )) ASSI { 286} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HG2 )) 4.300 2.500 1.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.96127E-03 ppm1 8.268 ppm2 2.275 CV 1 OR { 286} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HB1 )) ASSI { 291} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HA )) 3.200 1.400 2.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.30048E-02 ppm1 8.266 ppm2 4.049 CV 1 OR { 291} (( segid " " and resid 22 and name HN )) (( segid " " and resid 28 and name HA )) ASSI { 294} (( segid " " and resid 22 and name HN )) ( segid " " and resid 22 and name HE% ) 4.400 2.600 1.600 peak 294 spectrum 1 weight 0.10000E+01 volume 0.52305E-03 ppm1 8.263 ppm2 7.055 CV 1 OR { 294} (( segid " " and resid 22 and name HN )) ( segid " " and resid 31 and name HE% ) ASSI { 296} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) 2.600 0.800 1.400 peak 296 spectrum 1 weight 0.10000E+01 volume 0.18084E-02 ppm1 8.268 ppm2 7.987 CV 1 OR { 296} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HN )) OR { 296} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HE21)) ASSI { 1921} (( segid " " and resid 81 and name HA )) (( segid " " and resid 80 and name HA )) 3.500 1.700 2.400 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.26709E-02 ppm1 4.710 ppm2 4.124 CV 1 OR { 1921} (( segid " " and resid 81 and name HA )) (( segid " " and resid 86 and name HA )) OR { 1921} (( segid " " and resid 81 and name HA )) (( segid " " and resid 68 and name HA )) OR { 1921} (( segid " " and resid 81 and name HA )) (( segid " " and resid 69 and name HA )) ASSI { 1922} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB2 )) 2.600 0.800 1.300 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.31021E-02 ppm1 4.712 ppm2 3.125 CV 1 OR { 1922} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) ASSI { 1929} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HN )) 2.400 0.600 1.100 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.26292E-02 ppm1 4.712 ppm2 8.257 CV 1 OR { 1929} (( segid " " and resid 22 and name HA )) (( segid " " and resid 28 and name HN )) ASSI { 1940} (( segid " " and resid 23 and name HA )) ( segid " " and resid 21 and name HD1%) 6.000 4.200 0.000 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.13689E-03 ppm1 4.565 ppm2 0.859 CV 1 OR { 1940} (( segid " " and resid 23 and name HA )) ( segid " " and resid 30 and name HD1%) ASSI { 1942} (( segid " " and resid 23 and name HA )) (( segid " " and resid 21 and name HN )) 4.600 2.800 1.400 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.49384E-03 ppm1 4.555 ppm2 7.969 CV 1 OR { 1942} (( segid " " and resid 23 and name HA )) (( segid " " and resid 20 and name HE21)) ASSI { 1946} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 23 and name HA )) 2.900 1.100 1.600 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.17528E-02 ppm1 2.269 ppm2 4.553 CV 1 OR { 1946} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 27 and name HA1 )) ASSI { 1949} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 24 and name HN )) 3.400 1.600 2.300 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.22397E-02 ppm1 2.280 ppm2 8.557 CV 1 OR { 1949} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 30 and name HN )) ASSI { 1950} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 21 and name HN )) 3.600 1.800 2.400 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.11240E-02 ppm1 2.269 ppm2 7.992 CV 1 OR { 1950} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 20 and name HE21)) ASSI { 1958} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 21 and name HN )) 3.500 1.700 2.500 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.31856E-02 ppm1 1.950 ppm2 7.953 CV 1 OR { 1958} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 20 and name HE21)) ASSI { 1961} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 23 and name HA )) 6.000 4.200 0.000 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.38811E-04 ppm1 2.731 ppm2 4.555 CV 1 OR { 1961} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 27 and name HA1 )) ASSI { 1963} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 22 and name HB1 )) 6.000 4.200 0.000 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.10210E-03 ppm1 2.721 ppm2 3.066 CV 1 OR { 1963} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 28 and name HE1 )) ASSI { 1965} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 23 and name HB1 )) 3.400 1.600 2.300 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.49245E-03 ppm1 2.720 ppm2 2.268 CV 1 OR { 1965} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 17 and name HG1 )) ASSI { 1968} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 22 and name HN )) 4.200 2.400 1.800 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.72479E-04 ppm1 2.729 ppm2 8.266 CV 1 OR { 1968} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 28 and name HN )) ASSI { 1969} (( segid " " and resid 23 and name HD1 )) ( segid " " and resid 22 and name HD% ) 6.000 4.200 0.000 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.10851E-03 ppm1 2.727 ppm2 7.323 CV 1 OR { 1969} (( segid " " and resid 23 and name HD1 )) (( segid " " and resid 17 and name HE21)) ASSI { 1972} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 23 and name HA )) 5.700 3.900 0.300 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.84020E-04 ppm1 3.524 ppm2 4.550 CV 1 OR { 1972} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 27 and name HA1 )) ASSI { 1975} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 28 and name HE1 )) 5.100 3.300 0.900 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.87224E-04 ppm1 3.534 ppm2 2.993 CV 1 OR { 1975} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 31 and name HB1 )) ASSI { 1979} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 28 and name HG2 )) 4.300 2.500 1.700 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.85135E-04 ppm1 3.521 ppm2 1.449 CV 1 OR { 1979} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 21 and name HB1 )) ASSI { 1981} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 22 and name HN )) 4.800 3.000 1.200 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.12951E-03 ppm1 3.524 ppm2 8.259 CV 1 OR { 1981} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 28 and name HN )) ASSI { 1982} (( segid " " and resid 23 and name HD2 )) ( segid " " and resid 22 and name HD% ) 5.100 3.300 0.900 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.32413E-03 ppm1 3.521 ppm2 7.298 CV 1 OR { 1982} (( segid " " and resid 23 and name HD2 )) (( segid " " and resid 17 and name HE21)) ASSI { 1985} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 27 and name HA1 )) 3.300 1.500 2.200 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.10795E-02 ppm1 1.797 ppm2 4.561 CV 1 OR { 1985} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 23 and name HA )) ASSI { 1987} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 23 and name HB1 )) 2.000 0.200 0.800 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.54948E-02 ppm1 1.807 ppm2 2.242 CV 1 OR { 1987} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 20 and name HG1 )) OR { 1987} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 17 and name HG1 )) ASSI { 1988} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 29 and name HE )) 2.700 0.900 1.500 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.21701E-02 ppm1 1.812 ppm2 7.132 CV 1 OR { 1988} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HE21)) OR { 1988} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 45 and name HN )) ASSI { 1989} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 44 and name HN )) 2.800 1.000 1.500 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.12075E-02 ppm1 1.811 ppm2 7.366 CV 1 OR { 1989} (( segid " " and resid 29 and name HG1 )) ( segid " " and resid 75 and name HE% ) ASSI { 1990} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 29 and name HN )) 4.700 2.900 1.300 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.55087E-03 ppm1 1.812 ppm2 8.057 CV 1 OR { 1990} (( segid " " and resid 23 and name HG1 )) (( segid " " and resid 29 and name HN )) ASSI { 1994} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 27 and name HA1 )) 2.500 0.700 1.200 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.63434E-03 ppm1 1.900 ppm2 4.574 CV 1 OR { 1994} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HA )) ASSI { 2002} (( segid " " and resid 65 and name HG )) (( segid " " and resid 66 and name HN )) 4.200 2.400 1.800 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.81937E-03 ppm1 1.914 ppm2 8.316 CV 1 OR { 2002} (( segid " " and resid 65 and name HG )) (( segid " " and resid 67 and name HN )) OR { 2002} (( segid " " and resid 65 and name HG )) (( segid " " and resid 82 and name HN )) ASSI { 299} (( segid " " and resid 24 and name HN )) (( segid " " and resid 28 and name HG2 )) 6.000 4.200 0.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.95986E-04 ppm1 8.588 ppm2 1.486 CV 1 OR { 299} (( segid " " and resid 24 and name HN )) (( segid " " and resid 21 and name HG )) ASSI { 305} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA1 )) 3.300 1.500 2.200 peak 305 spectrum 1 weight 0.10000E+01 volume 0.12868E-02 ppm1 8.589 ppm2 3.992 CV 1 OR { 305} (( segid " " and resid 24 and name HN )) (( segid " " and resid 28 and name HA )) ASSI { 307} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 3.200 1.400 2.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.96127E-03 ppm1 8.589 ppm2 4.562 CV 1 OR { 307} (( segid " " and resid 24 and name HN )) (( segid " " and resid 27 and name HA1 )) ASSI { 311} (( segid " " and resid 24 and name HN )) (( segid " " and resid 20 and name HE21)) 5.500 3.700 0.500 peak 311 spectrum 1 weight 0.10000E+01 volume 0.23092E-03 ppm1 8.589 ppm2 7.963 CV 1 OR { 311} (( segid " " and resid 24 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 312} (( segid " " and resid 24 and name HN )) (( segid " " and resid 28 and name HN )) 5.000 3.200 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.18919E-03 ppm1 8.589 ppm2 8.264 CV 1 OR { 312} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HN )) ASSI { 2016} (( segid " " and resid 24 and name HA2 )) (( segid " " and resid 28 and name HD2 )) 4.300 2.500 1.700 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.54670E-03 ppm1 4.194 ppm2 1.811 CV 1 OR { 2016} (( segid " " and resid 24 and name HA2 )) (( segid " " and resid 23 and name HG1 )) ASSI { 316} (( segid " " and resid 25 and name HN )) (( segid " " and resid 28 and name HD2 )) 6.000 4.200 0.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.63988E-04 ppm1 8.837 ppm2 1.772 CV 1 OR { 316} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HB1 )) OR { 316} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HG1 )) ASSI { 320} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA1 )) 3.300 1.500 2.200 peak 320 spectrum 1 weight 0.10000E+01 volume 0.60932E-03 ppm1 8.842 ppm2 4.020 CV 1 OR { 320} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) ASSI { 321} (( segid " " and resid 25 and name HN )) (( segid " " and resid 27 and name HA1 )) 6.000 4.200 0.000 peak 321 spectrum 1 weight 0.10000E+01 volume 0.17110E-06 ppm1 8.836 ppm2 4.582 CV 1 OR { 321} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HA )) ASSI { 2019} (( segid " " and resid 25 and name HA )) (( segid " " and resid 28 and name HD2 )) 2.100 0.300 0.900 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.73730E-02 ppm1 4.023 ppm2 1.748 CV 1 OR { 2019} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HB1 )) ASSI { 2025} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 25 and name HA )) 2.200 0.400 0.900 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.88752E-02 ppm1 2.066 ppm2 4.038 CV 1 OR { 2025} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 24 and name HA1 )) ASSI { 2029} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HA )) 2.700 0.900 1.400 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.64266E-02 ppm1 2.113 ppm2 4.034 CV 1 OR { 2029} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 24 and name HA1 )) ASSI { 2033} (( segid " " and resid 25 and name HG2 )) (( segid " " and resid 25 and name HA )) 2.800 1.000 1.600 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.22397E-02 ppm1 2.396 ppm2 4.030 CV 1 OR { 2033} (( segid " " and resid 25 and name HG2 )) (( segid " " and resid 24 and name HA1 )) ASSI { 326} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HD1%) 4.900 3.100 1.100 peak 326 spectrum 1 weight 0.10000E+01 volume 0.59540E-03 ppm1 9.099 ppm2 0.892 CV 1 OR { 326} (( segid " " and resid 26 and name HN )) ( segid " " and resid 30 and name HD1%) ASSI { 328} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) 3.100 1.300 1.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.81660E-03 ppm1 9.092 ppm2 1.774 CV 1 OR { 328} (( segid " " and resid 26 and name HN )) (( segid " " and resid 23 and name HG1 )) ASSI { 329} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) 4.400 2.600 1.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.26570E-03 ppm1 9.097 ppm2 4.028 CV 1 OR { 329} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HA1 )) ASSI { 2036} (( segid " " and resid 26 and name HA )) (( segid " " and resid 29 and name HD2 )) 2.300 0.500 3.700 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.13522E-01 ppm1 4.290 ppm2 2.206 CV 1 OR { 2036} (( segid " " and resid 26 and name HA )) (( segid " " and resid 71 and name HB )) ASSI { 2037} (( segid " " and resid 26 and name HA )) (( segid " " and resid 29 and name HB1 )) 2.000 0.200 4.000 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.79848E-02 ppm1 4.290 ppm2 2.017 CV 1 OR { 2037} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HB )) OR { 2037} (( segid " " and resid 26 and name HA )) (( segid " " and resid 28 and name HB2 )) ASSI { 2039} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG )) 3.600 1.800 2.400 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.77760E-03 ppm1 4.300 ppm2 1.516 CV 1 OR { 2039} (( segid " " and resid 26 and name HA )) (( segid " " and resid 29 and name HG2 )) ASSI { 2040} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HD1%) 2.500 0.700 1.200 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.31021E-02 ppm1 4.290 ppm2 0.918 CV 1 OR { 2040} (( segid " " and resid 26 and name HA )) ( segid " " and resid 30 and name HD1%) ASSI { 2047} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 27 and name HA1 )) 5.100 3.300 0.900 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.34082E-03 ppm1 0.927 ppm2 4.542 CV 1 OR { 2047} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 23 and name HA )) OR { 2047} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 76 and name HA )) ASSI { 2049} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 71 and name HA )) 3.800 2.000 2.200 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.79016E-03 ppm1 0.921 ppm2 3.760 CV 1 OR { 2049} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HA )) ASSI { 2050} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 25 and name HA )) 3.300 1.500 2.700 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.42290E-02 ppm1 0.924 ppm2 4.060 CV 1 OR { 2050} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 74 and name HA )) OR { 2050} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 72 and name HB1 )) OR { 2050} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 39 and name HA )) ASSI { 2051} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 75 and name HB1 )) 3.800 2.000 2.200 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.12381E-02 ppm1 0.924 ppm2 3.082 CV 1 OR { 2051} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 73 and name HB1 )) OR { 2051} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 78 and name HE1 )) ASSI { 2053} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 29 and name HD2 )) 3.300 1.500 2.100 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.29074E-02 ppm1 0.925 ppm2 2.216 CV 1 OR { 2053} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 71 and name HB )) OR { 2053} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 67 and name HG1 )) ASSI { 2054} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 29 and name HB1 )) 2.900 1.100 1.700 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.14745E-02 ppm1 0.924 ppm2 1.981 CV 1 OR { 2054} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 23 and name HB2 )) ASSI { 2056} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HG )) 2.200 0.400 1.000 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.66632E-02 ppm1 0.921 ppm2 1.510 CV 1 OR { 2056} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 29 and name HG2 )) ASSI { 2057} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 71 and name HG2%) 2.700 0.900 1.400 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.31856E-02 ppm1 0.924 ppm2 1.153 CV 1 OR { 2057} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 34 and name HG12)) ASSI { 2062} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 29 and name HN )) 4.800 3.000 1.200 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.39368E-03 ppm1 0.926 ppm2 8.072 CV 1 OR { 2062} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 75 and name HN )) ASSI { 2069} (( segid " " and resid 26 and name HG )) (( segid " " and resid 29 and name HN )) 3.400 1.600 2.400 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.21006E-02 ppm1 1.503 ppm2 8.058 CV 1 OR { 2069} (( segid " " and resid 26 and name HG )) (( segid " " and resid 75 and name HN )) ASSI { 335} (( segid " " and resid 27 and name HN )) ( segid " " and resid 30 and name HD1%) 4.300 2.500 1.700 peak 335 spectrum 1 weight 0.10000E+01 volume 0.61068E-03 ppm1 7.452 ppm2 0.864 CV 1 OR { 335} (( segid " " and resid 27 and name HN )) ( segid " " and resid 21 and name HD1%) ASSI { 336} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HG )) 3.900 2.100 2.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.47993E-03 ppm1 7.452 ppm2 1.527 CV 1 OR { 336} (( segid " " and resid 27 and name HN )) (( segid " " and resid 29 and name HG2 )) ASSI { 337} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) 3.000 1.200 1.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.13494E-02 ppm1 7.452 ppm2 1.785 CV 1 OR { 337} (( segid " " and resid 27 and name HN )) (( segid " " and resid 23 and name HG1 )) OR { 337} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HD2 )) ASSI { 338} (( segid " " and resid 27 and name HN )) (( segid " " and resid 29 and name HB1 )) 3.700 1.900 2.300 peak 338 spectrum 1 weight 0.10000E+01 volume 0.12812E-02 ppm1 7.452 ppm2 2.006 CV 1 OR { 338} (( segid " " and resid 27 and name HN )) (( segid " " and resid 30 and name HB )) OR { 338} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HB2 )) ASSI { 343} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 4.000 2.200 2.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.31717E-03 ppm1 7.453 ppm2 4.257 CV 1 OR { 343} (( segid " " and resid 27 and name HN )) (( segid " " and resid 29 and name HA )) ASSI { 344} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA1 )) 2.900 1.100 1.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.57032E-03 ppm1 7.452 ppm2 4.562 CV 1 OR { 344} (( segid " " and resid 27 and name HN )) (( segid " " and resid 23 and name HA )) ASSI { 349} (( segid " " and resid 27 and name HN )) (( segid " " and resid 29 and name HN )) 3.900 2.100 2.100 peak 349 spectrum 1 weight 0.10000E+01 volume 0.51053E-03 ppm1 7.453 ppm2 8.024 CV 1 OR { 349} (( segid " " and resid 27 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 351} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HN )) 4.500 2.700 1.500 peak 351 spectrum 1 weight 0.10000E+01 volume 0.24344E-03 ppm1 7.455 ppm2 8.564 CV 1 OR { 351} (( segid " " and resid 27 and name HN )) (( segid " " and resid 30 and name HN )) ASSI { 2074} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 30 and name HB )) 3.200 1.400 2.100 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.62879E-03 ppm1 3.861 ppm2 2.043 CV 1 OR { 2074} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 28 and name HB2 )) ASSI { 2075} (( segid " " and resid 27 and name HA2 )) ( segid " " and resid 30 and name HD1%) 3.400 1.600 2.400 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.43959E-03 ppm1 3.860 ppm2 0.865 CV 1 OR { 2075} (( segid " " and resid 27 and name HA2 )) ( segid " " and resid 21 and name HD1%) ASSI { 2076} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 23 and name HG1 )) 5.000 3.200 1.000 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.23231E-03 ppm1 3.850 ppm2 1.782 CV 1 OR { 2076} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 26 and name HB1 )) OR { 2076} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 28 and name HD2 )) ASSI { 2077} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 26 and name HG )) 6.000 4.200 0.000 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.65800E-05 ppm1 3.861 ppm2 1.500 CV 1 OR { 2077} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 28 and name HG2 )) OR { 2077} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 29 and name HG2 )) ASSI { 2079} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 28 and name HN )) 4.000 2.200 2.000 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.51888E-03 ppm1 3.860 ppm2 8.285 CV 1 OR { 2079} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 22 and name HN )) ASSI { 2080} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 20 and name HE21)) 5.100 3.300 0.900 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.42567E-03 ppm1 3.864 ppm2 8.005 CV 1 OR { 2080} (( segid " " and resid 27 and name HA2 )) (( segid " " and resid 21 and name HN )) ASSI { 2087} (( segid " " and resid 27 and name HA1 )) (( segid " " and resid 30 and name HB )) 5.000 3.200 1.000 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.19614E-03 ppm1 4.562 ppm2 2.026 CV 1 OR { 2087} (( segid " " and resid 27 and name HA1 )) (( segid " " and resid 28 and name HB2 )) OR { 2087} (( segid " " and resid 27 and name HA1 )) (( segid " " and resid 29 and name HB1 )) ASSI { 2088} (( segid " " and resid 27 and name HA1 )) (( segid " " and resid 23 and name HG1 )) 5.500 3.700 0.500 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.48688E-04 ppm1 4.562 ppm2 1.768 CV 1 OR { 2088} (( segid " " and resid 27 and name HA1 )) (( segid " " and resid 26 and name HB1 )) OR { 2088} (( segid " " and resid 27 and name HA1 )) (( segid " " and resid 28 and name HD2 )) ASSI { 2089} (( segid " " and resid 27 and name HA1 )) ( segid " " and resid 30 and name HD1%) 4.800 3.000 1.200 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.36029E-03 ppm1 4.561 ppm2 0.865 CV 1 OR { 2089} (( segid " " and resid 27 and name HA1 )) ( segid " " and resid 21 and name HD1%) ASSI { 2091} (( segid " " and resid 27 and name HA1 )) (( segid " " and resid 28 and name HN )) 3.400 1.600 2.300 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.34360E-03 ppm1 4.562 ppm2 8.281 CV 1 OR { 2091} (( segid " " and resid 27 and name HA1 )) (( segid " " and resid 22 and name HN )) ASSI { 2092} (( segid " " and resid 27 and name HA1 )) (( segid " " and resid 20 and name HE21)) 5.400 3.600 0.600 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.21423E-03 ppm1 4.561 ppm2 7.990 CV 1 OR { 2092} (( segid " " and resid 27 and name HA1 )) (( segid " " and resid 21 and name HN )) ASSI { 354} (( segid " " and resid 28 and name HN )) ( segid " " and resid 30 and name HD1%) 5.100 3.300 0.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.27683E-03 ppm1 8.262 ppm2 0.854 CV 1 OR { 354} (( segid " " and resid 28 and name HN )) ( segid " " and resid 21 and name HD1%) ASSI { 355} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HG )) 4.100 2.300 1.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.86250E-03 ppm1 8.264 ppm2 1.528 CV 1 OR { 355} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HG2 )) ASSI { 356} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HD2 )) 3.300 1.500 2.200 peak 356 spectrum 1 weight 0.10000E+01 volume 0.18780E-02 ppm1 8.266 ppm2 1.760 CV 1 OR { 356} (( segid " " and resid 28 and name HN )) (( segid " " and resid 20 and name HB2 )) ASSI { 357} (( segid " " and resid 28 and name HN )) (( segid " " and resid 23 and name HB1 )) 5.100 3.300 0.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.84993E-03 ppm1 8.266 ppm2 2.306 CV 1 OR { 357} (( segid " " and resid 28 and name HN )) (( segid " " and resid 20 and name HG2 )) ASSI { 358} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HB2 )) 2.500 0.700 1.200 peak 358 spectrum 1 weight 0.10000E+01 volume 0.20866E-02 ppm1 8.262 ppm2 2.007 CV 1 OR { 358} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HB1 )) ASSI { 360} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HE1 )) 5.600 3.800 0.400 peak 360 spectrum 1 weight 0.10000E+01 volume 0.33386E-03 ppm1 8.268 ppm2 3.039 CV 1 OR { 360} (( segid " " and resid 28 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 361} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA )) 2.800 1.000 1.600 peak 361 spectrum 1 weight 0.10000E+01 volume 0.11365E-02 ppm1 8.262 ppm2 4.022 CV 1 OR { 361} (( segid " " and resid 28 and name HN )) (( segid " " and resid 25 and name HA )) OR { 361} (( segid " " and resid 28 and name HN )) (( segid " " and resid 24 and name HA1 )) ASSI { 362} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HA )) 3.700 1.900 2.300 peak 362 spectrum 1 weight 0.10000E+01 volume 0.76650E-03 ppm1 8.264 ppm2 4.245 CV 1 OR { 362} (( segid " " and resid 28 and name HN )) (( segid " " and resid 29 and name HA )) ASSI { 2105} (( segid " " and resid 67 and name HA )) (( segid " " and resid 70 and name HN )) 2.900 1.100 1.700 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.21423E-02 ppm1 4.009 ppm2 8.545 CV 1 OR { 2105} (( segid " " and resid 28 and name HA )) (( segid " " and resid 30 and name HN )) ASSI { 2106} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HN )) 2.500 0.700 1.200 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.36725E-02 ppm1 4.020 ppm2 8.290 CV 1 OR { 2106} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HN )) OR { 2106} (( segid " " and resid 67 and name HA )) (( segid " " and resid 66 and name HN )) OR { 2106} (( segid " " and resid 28 and name HA )) (( segid " " and resid 22 and name HN )) ASSI { 2107} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HN )) 2.700 0.900 1.400 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.30743E-02 ppm1 4.020 ppm2 8.064 CV 1 OR { 2107} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HN )) ASSI { 2112} (( segid " " and resid 80 and name HB )) (( segid " " and resid 80 and name HA )) 2.100 0.300 0.900 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.10377E-01 ppm1 2.017 ppm2 4.075 CV 1 OR { 2112} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 25 and name HA )) ASSI { 2114} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HN )) 3.500 1.700 2.400 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.18780E-02 ppm1 1.958 ppm2 8.292 CV 1 OR { 2114} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 22 and name HN )) ASSI { 2121} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 28 and name HA )) 2.700 0.900 1.400 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.26431E-02 ppm1 1.481 ppm2 4.031 CV 1 OR { 2121} (( segid " " and resid 78 and name HG1 )) (( segid " " and resid 72 and name HB1 )) OR { 2121} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 25 and name HA )) OR { 2121} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 24 and name HA1 )) ASSI { 2122} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 28 and name HE1 )) 2.400 0.600 1.100 peak 2122 spectrum 1 weight 0.10000E+01 volume 0.28796E-02 ppm1 1.484 ppm2 3.028 CV 1 OR { 2122} (( segid " " and resid 78 and name HG1 )) (( segid " " and resid 78 and name HE1 )) ASSI { 2123} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 28 and name HD2 )) 1.800 0.000 4.200 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.11546E+00 ppm1 1.486 ppm2 1.777 CV 1 OR { 2123} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 20 and name HB2 )) OR { 2123} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 23 and name HG1 )) ASSI { 2125} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 28 and name HN )) 3.200 1.400 2.100 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.29074E-02 ppm1 1.484 ppm2 8.295 CV 1 OR { 2125} (( segid " " and resid 78 and name HG1 )) (( segid " " and resid 73 and name HN )) OR { 2125} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 22 and name HN )) OR { 2125} (( segid " " and resid 78 and name HG1 )) (( segid " " and resid 82 and name HN )) ASSI { 2126} (( segid " " and resid 78 and name HG1 )) (( segid " " and resid 78 and name HN )) 1.900 0.100 4.100 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.17110E-02 ppm1 1.487 ppm2 8.121 CV 1 OR { 2126} (( segid " " and resid 78 and name HG1 )) (( segid " " and resid 80 and name HN )) OR { 2126} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 31 and name HN )) ASSI { 2128} (( segid " " and resid 28 and name HG2 )) ( segid " " and resid 31 and name HE% ) 3.800 2.000 2.200 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.19754E-02 ppm1 1.489 ppm2 7.053 CV 1 OR { 2128} (( segid " " and resid 28 and name HG2 )) (( segid " " and resid 32 and name HD22)) OR { 2128} (( segid " " and resid 78 and name HG1 )) (( segid " " and resid 68 and name HE22)) ASSI { 373} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HG2 )) 4.300 2.500 1.700 peak 373 spectrum 1 weight 0.10000E+01 volume 0.88893E-03 ppm1 8.046 ppm2 1.519 CV 1 OR { 373} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HG2 )) OR { 373} (( segid " " and resid 29 and name HN )) (( segid " " and resid 26 and name HG )) ASSI { 374} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HG1 )) 3.400 1.600 2.300 peak 374 spectrum 1 weight 0.10000E+01 volume 0.29491E-02 ppm1 8.053 ppm2 1.791 CV 1 OR { 374} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HD2 )) OR { 374} (( segid " " and resid 29 and name HN )) (( segid " " and resid 23 and name HG1 )) ASSI { 375} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HD2 )) 3.800 2.000 2.200 peak 375 spectrum 1 weight 0.10000E+01 volume 0.23649E-02 ppm1 8.051 ppm2 2.225 CV 1 OR { 375} (( segid " " and resid 29 and name HN )) (( segid " " and resid 20 and name HG1 )) ASSI { 376} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB1 )) 2.500 0.700 1.300 peak 376 spectrum 1 weight 0.10000E+01 volume 0.32552E-02 ppm1 8.047 ppm2 2.003 CV 1 OR { 376} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB1 )) OR { 376} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HB )) ASSI { 378} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 2.700 0.900 1.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.22814E-02 ppm1 8.045 ppm2 4.040 CV 1 OR { 378} (( segid " " and resid 29 and name HN )) (( segid " " and resid 25 and name HA )) ASSI { 381} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 2.800 1.000 1.500 peak 381 spectrum 1 weight 0.10000E+01 volume 0.15859E-02 ppm1 8.047 ppm2 4.248 CV 1 OR { 381} (( segid " " and resid 29 and name HN )) (( segid " " and resid 26 and name HA )) ASSI { 2133} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HG2 )) 2.400 0.600 1.200 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.57032E-02 ppm1 4.230 ppm2 1.509 CV 1 OR { 2133} (( segid " " and resid 29 and name HA )) (( segid " " and resid 28 and name HG2 )) ASSI { 2134} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HB1 )) 2.000 0.200 4.000 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.18084E-01 ppm1 4.230 ppm2 1.984 CV 1 OR { 2134} (( segid " " and resid 29 and name HA )) (( segid " " and resid 28 and name HB1 )) ASSI { 2141} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 26 and name HA )) 2.200 0.400 1.000 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.54670E-02 ppm1 1.998 ppm2 4.244 CV 1 OR { 2141} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HA )) ASSI { 2153} (( segid " " and resid 29 and name HD1 )) (( segid " " and resid 29 and name HG2 )) 3.200 1.400 2.000 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.47576E-03 ppm1 2.864 ppm2 1.500 CV 1 OR { 2153} (( segid " " and resid 29 and name HD1 )) (( segid " " and resid 26 and name HG )) ASSI { 2154} (( segid " " and resid 29 and name HD1 )) ( segid " " and resid 26 and name HD1%) 2.600 0.800 1.300 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.21562E-02 ppm1 2.869 ppm2 0.908 CV 1 OR { 2154} (( segid " " and resid 29 and name HD1 )) ( segid " " and resid 30 and name HD1%) ASSI { 2158} (( segid " " and resid 29 and name HD2 )) (( segid " " and resid 26 and name HA )) 4.600 2.800 1.400 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.26292E-03 ppm1 2.231 ppm2 4.247 CV 1 OR { 2158} (( segid " " and resid 29 and name HD2 )) (( segid " " and resid 29 and name HA )) ASSI { 2162} (( segid " " and resid 29 and name HD2 )) ( segid " " and resid 26 and name HD1%) 4.100 2.300 1.900 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.73033E-03 ppm1 2.232 ppm2 0.906 CV 1 OR { 2162} (( segid " " and resid 29 and name HD2 )) ( segid " " and resid 30 and name HD1%) ASSI { 2165} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 29 and name HA )) 2.200 0.400 1.000 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.45628E-02 ppm1 1.811 ppm2 4.245 CV 1 OR { 2165} (( segid " " and resid 29 and name HG1 )) (( segid " " and resid 26 and name HA )) ASSI { 390} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB1 )) 2.100 0.300 0.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.40063E-02 ppm1 8.537 ppm2 1.993 CV 1 OR { 390} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB )) ASSI { 391} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HD1 )) 4.200 2.400 1.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.78179E-03 ppm1 8.535 ppm2 2.841 CV 1 OR { 391} (( segid " " and resid 30 and name HN )) (( segid " " and resid 33 and name HB2 )) ASSI { 397} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 3.000 1.200 1.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.61628E-03 ppm1 8.534 ppm2 8.077 CV 1 OR { 397} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HN )) ASSI { 2178} (( segid " " and resid 30 and name HA )) (( segid " " and resid 34 and name HG11)) 4.100 2.300 1.900 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.90280E-03 ppm1 3.781 ppm2 1.818 CV 1 OR { 2178} (( segid " " and resid 30 and name HA )) (( segid " " and resid 29 and name HG1 )) ASSI { 2182} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HN )) 4.100 2.300 1.900 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.81241E-03 ppm1 3.778 ppm2 8.357 CV 1 OR { 2182} (( segid " " and resid 30 and name HA )) (( segid " " and resid 34 and name HN )) ASSI { 2183} (( segid " " and resid 30 and name HA )) (( segid " " and resid 39 and name HE3 )) 5.100 3.300 0.900 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.41038E-03 ppm1 3.790 ppm2 7.324 CV 1 OR { 2183} (( segid " " and resid 30 and name HA )) (( segid " " and resid 42 and name HD1 )) ASSI { 2184} (( segid " " and resid 30 and name HA )) (( segid " " and resid 32 and name HD22)) 3.300 1.500 2.200 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.20588E-02 ppm1 3.784 ppm2 7.072 CV 1 OR { 2184} (( segid " " and resid 30 and name HA )) ( segid " " and resid 9 and name HD% ) ASSI { 2187} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 27 and name HA1 )) 4.000 2.200 2.000 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.66496E-03 ppm1 0.876 ppm2 4.561 CV 1 OR { 2187} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 76 and name HA )) ASSI { 2188} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 74 and name HA )) 5.100 3.300 0.900 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.40759E-03 ppm1 0.883 ppm2 4.097 CV 1 OR { 2188} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 66 and name HA )) OR { 2188} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 39 and name HA )) OR { 2188} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 54 and name HA )) OR { 2188} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 68 and name HA )) OR { 2188} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 72 and name HB1 )) ASSI { 2190} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 50 and name HA )) 3.800 2.000 2.200 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.58566E-03 ppm1 0.888 ppm2 3.401 CV 1 OR { 2190} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 75 and name HB2 )) ASSI { 2191} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 53 and name HE1 )) 3.900 2.100 2.100 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.11546E-02 ppm1 0.881 ppm2 3.008 CV 1 OR { 2191} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 31 and name HB1 )) OR { 2191} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 63 and name HD2 )) ASSI { 2192} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 34 and name HB )) 4.900 3.100 1.100 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.10642E-02 ppm1 0.878 ppm2 2.804 CV 1 OR { 2192} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 33 and name HB2 )) ASSI { 2193} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 57 and name HG1 )) 3.800 2.000 2.200 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.62879E-03 ppm1 0.887 ppm2 2.527 CV 1 OR { 2193} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 33 and name HG1 )) ASSI { 2194} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 46 and name HG2 )) 2.500 0.700 1.300 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.76231E-02 ppm1 0.879 ppm2 2.075 CV 1 OR { 2194} ( segid " " and resid 50 and name HD1%) ( segid " " and resid 57 and name HE% ) ASSI { 2195} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 26 and name HG )) 2.500 0.700 1.300 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.23231E-02 ppm1 0.873 ppm2 1.503 CV 1 OR { 2195} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 29 and name HG2 )) OR { 2195} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 53 and name HG1 )) ASSI { 2196} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 50 and name HB )) 2.200 0.400 1.000 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.80403E-02 ppm1 0.887 ppm2 1.907 CV 1 OR { 2196} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 46 and name HG1 )) OR { 2196} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 23 and name HB2 )) OR { 2196} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 53 and name HB1 )) ASSI { 2198} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 74 and name HB1 )) 3.600 1.800 2.400 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 0.883 ppm2 0.468 CV 1 OR { 2198} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 46 and name HB1 )) ASSI { 2201} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 30 and name HN )) 4.000 2.200 2.000 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.13549E-02 ppm1 0.886 ppm2 8.527 CV 1 OR { 2201} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 70 and name HN )) ASSI { 2204} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 29 and name HE )) 2.900 1.100 3.100 peak 2204 spectrum 1 weight 0.10000E+01 volume 0.19476E-02 ppm1 0.874 ppm2 7.124 CV 1 OR { 2204} ( segid " " and resid 30 and name HD1%) (( segid " " and resid 43 and name HE21)) OR { 2204} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 56 and name HD22)) ASSI { 2208} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 7 and name HA )) 4.100 2.300 1.900 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.11685E-02 ppm1 0.725 ppm2 4.682 CV 1 OR { 2208} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 17 and name HE22)) OR { 2208} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 35 and name HA )) ASSI { 2209} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 31 and name HA )) 4.300 2.500 1.700 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.53557E-03 ppm1 0.725 ppm2 4.124 CV 1 OR { 2209} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 74 and name HA )) ASSI { 2212} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 73 and name HB1 )) 5.100 3.300 0.900 peak 2212 spectrum 1 weight 0.10000E+01 volume 0.47993E-03 ppm1 0.725 ppm2 3.040 CV 1 OR { 2212} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 9 and name HB1 )) ASSI { 2215} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 34 and name HG11)) 2.600 0.800 1.400 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.66632E-03 ppm1 0.722 ppm2 1.800 CV 1 OR { 2215} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 70 and name HB2 )) ASSI { 2222} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 33 and name HN )) 4.100 2.300 1.900 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.99184E-03 ppm1 0.725 ppm2 8.354 CV 1 OR { 2222} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 34 and name HN )) OR { 2222} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 40 and name HN )) ASSI { 2224} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 39 and name HZ2 )) 6.000 4.200 0.000 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.16832E-03 ppm1 0.724 ppm2 7.818 CV 1 OR { 2224} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 41 and name HN )) ASSI { 2225} ( segid " " and resid 30 and name HG2%) (( segid " " and resid 39 and name HE3 )) 3.100 1.300 1.900 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.15302E-02 ppm1 0.724 ppm2 7.361 CV 1 OR { 2225} ( segid " " and resid 30 and name HG2%) ( segid " " and resid 75 and name HE% ) ASSI { 400} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HG2 )) 5.000 3.200 1.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.37142E-03 ppm1 8.119 ppm2 1.471 CV 1 OR { 400} (( segid " " and resid 31 and name HN )) (( segid " " and resid 28 and name HG2 )) ASSI { 401} (( segid " " and resid 31 and name HN )) (( segid " " and resid 23 and name HB1 )) 5.000 3.200 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.69139E-03 ppm1 8.120 ppm2 2.245 CV 1 OR { 401} (( segid " " and resid 31 and name HN )) (( segid " " and resid 20 and name HG1 )) OR { 401} (( segid " " and resid 31 and name HN )) (( segid " " and resid 17 and name HG1 )) ASSI { 402} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB )) 2.900 1.100 1.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.11713E-02 ppm1 8.116 ppm2 2.038 CV 1 OR { 402} (( segid " " and resid 31 and name HN )) (( segid " " and resid 28 and name HB2 )) ASSI { 403} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) 4.000 2.200 2.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.95567E-03 ppm1 8.118 ppm2 2.975 CV 1 OR { 403} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HB1 )) ASSI { 404} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB2 )) 2.600 0.800 1.400 peak 404 spectrum 1 weight 0.10000E+01 volume 0.81241E-03 ppm1 8.118 ppm2 3.218 CV 1 OR { 404} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HB2 )) ASSI { 2229} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 2.500 0.700 1.300 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.40203E-02 ppm1 4.144 ppm2 3.236 CV 1 OR { 2229} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HB2 )) ASSI { 2230} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB1 )) 2.500 0.700 1.200 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.40203E-02 ppm1 4.143 ppm2 2.960 CV 1 OR { 2230} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HB1 )) ASSI { 2231} (( segid " " and resid 31 and name HA )) (( segid " " and resid 17 and name HG1 )) 3.500 1.700 2.400 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.28517E-02 ppm1 4.142 ppm2 2.266 CV 1 OR { 2231} (( segid " " and resid 31 and name HA )) (( segid " " and resid 23 and name HB1 )) ASSI { 2235} (( segid " " and resid 31 and name HA )) (( segid " " and resid 39 and name HE3 )) 2.600 0.800 1.300 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.37142E-02 ppm1 4.146 ppm2 7.307 CV 1 OR { 2235} (( segid " " and resid 31 and name HA )) (( segid " " and resid 17 and name HE21)) ASSI { 413} (( segid " " and resid 32 and name HN )) ( segid " " and resid 30 and name HG2%) 4.700 2.900 1.300 peak 413 spectrum 1 weight 0.10000E+01 volume 0.43680E-03 ppm1 8.691 ppm2 0.759 CV 1 OR { 413} (( segid " " and resid 32 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 414} (( segid " " and resid 32 and name HN )) (( segid " " and resid 29 and name HG2 )) 5.100 3.300 0.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.16832E-03 ppm1 8.686 ppm2 1.508 CV 1 OR { 414} (( segid " " and resid 32 and name HN )) ( segid " " and resid 38 and name HB% ) OR { 414} (( segid " " and resid 32 and name HN )) ( segid " " and resid 14 and name HB% ) ASSI { 415} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HB )) 3.800 2.000 2.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.10169E-02 ppm1 8.688 ppm2 1.996 CV 1 OR { 415} (( segid " " and resid 32 and name HN )) (( segid " " and resid 29 and name HB1 )) OR { 415} (( segid " " and resid 32 and name HN )) (( segid " " and resid 28 and name HB1 )) ASSI { 417} (( segid " " and resid 32 and name HN )) (( segid " " and resid 20 and name HG2 )) 2.300 0.500 3.700 peak 417 spectrum 1 weight 0.10000E+01 volume 0.10266E-02 ppm1 8.688 ppm2 2.319 CV 1 OR { 417} (( segid " " and resid 32 and name HN )) (( segid " " and resid 76 and name HB2 )) OR { 417} (( segid " " and resid 32 and name HN )) (( segid " " and resid 76 and name HG1 )) ASSI { 418} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 2.800 1.000 1.500 peak 418 spectrum 1 weight 0.10000E+01 volume 0.15719E-02 ppm1 8.691 ppm2 2.994 CV 1 OR { 418} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) ASSI { 419} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.300 1.500 2.100 peak 419 spectrum 1 weight 0.10000E+01 volume 0.11908E-02 ppm1 8.691 ppm2 3.223 CV 1 OR { 419} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) ASSI { 428} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 3.000 1.200 1.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.10155E-02 ppm1 8.691 ppm2 8.372 CV 1 OR { 428} (( segid " " and resid 32 and name HN )) (( segid " " and resid 34 and name HN )) ASSI { 2245} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HN )) 3.000 1.200 1.800 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.14328E-02 ppm1 4.619 ppm2 8.411 CV 1 OR { 2245} (( segid " " and resid 32 and name HA )) (( segid " " and resid 6 and name HN )) ASSI { 430} (( segid " " and resid 33 and name HN )) ( segid " " and resid 30 and name HG2%) 4.600 2.800 1.400 peak 430 spectrum 1 weight 0.10000E+01 volume 0.65245E-03 ppm1 8.387 ppm2 0.694 CV 1 OR { 430} (( segid " " and resid 33 and name HN )) ( segid " " and resid 34 and name HD1%) OR { 430} (( segid " " and resid 33 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 433} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HG11)) 3.300 1.500 2.100 peak 433 spectrum 1 weight 0.10000E+01 volume 0.37003E-02 ppm1 8.387 ppm2 1.865 CV 1 OR { 433} (( segid " " and resid 33 and name HN )) (( segid " " and resid 5 and name HB )) ASSI { 436} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.900 2.100 2.100 peak 436 spectrum 1 weight 0.10000E+01 volume 0.66077E-03 ppm1 8.388 ppm2 3.226 CV 1 OR { 436} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HB2 )) ASSI { 438} (( segid " " and resid 33 and name HN )) (( segid " " and resid 29 and name HA )) 3.900 2.100 2.100 peak 438 spectrum 1 weight 0.10000E+01 volume 0.98906E-03 ppm1 8.386 ppm2 4.203 CV 1 OR { 438} (( segid " " and resid 33 and name HN )) (( segid " " and resid 16 and name HA1 )) ASSI { 440} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA )) 3.800 2.000 2.200 peak 440 spectrum 1 weight 0.10000E+01 volume 0.34360E-03 ppm1 8.387 ppm2 4.949 CV 1 OR { 440} (( segid " " and resid 33 and name HN )) (( segid " " and resid 75 and name HA )) ASSI { 2252} (( segid " " and resid 33 and name HA )) (( segid " " and resid 5 and name HG12)) 4.100 2.300 1.900 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.41733E-03 ppm1 4.915 ppm2 1.107 CV 1 OR { 2252} (( segid " " and resid 33 and name HA )) ( segid " " and resid 71 and name HG1%) ASSI { 2254} (( segid " " and resid 33 and name HA )) ( segid " " and resid 5 and name HD1%) 4.000 2.200 2.000 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.34360E-03 ppm1 4.906 ppm2 0.664 CV 1 OR { 2254} (( segid " " and resid 33 and name HA )) ( segid " " and resid 34 and name HD1%) OR { 2254} (( segid " " and resid 33 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 2255} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HN )) 3.800 2.000 2.200 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.30743E-03 ppm1 4.907 ppm2 8.374 CV 1 OR { 2255} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HN )) ASSI { 2261} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HN )) 3.200 1.400 2.100 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.11143E-02 ppm1 2.386 ppm2 8.380 CV 1 OR { 2261} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 34 and name HN )) ASSI { 2263} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HA )) 3.400 1.600 2.300 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.43959E-03 ppm1 2.846 ppm2 4.950 CV 1 OR { 2263} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 75 and name HA )) ASSI { 2266} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 30 and name HG2%) 4.000 2.200 2.000 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.11741E-02 ppm1 2.821 ppm2 0.687 CV 1 OR { 2266} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 34 and name HD1%) OR { 2266} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 74 and name HD2%) ASSI { 2268} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HN )) 3.600 1.800 2.400 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.15441E-02 ppm1 2.822 ppm2 8.371 CV 1 OR { 2268} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 34 and name HN )) ASSI { 2270} (( segid " " and resid 33 and name HG1 )) (( segid " " and resid 33 and name HN )) 3.500 1.700 2.400 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.10113E-02 ppm1 2.559 ppm2 8.376 CV 1 OR { 2270} (( segid " " and resid 33 and name HG1 )) (( segid " " and resid 34 and name HN )) ASSI { 2272} (( segid " " and resid 33 and name HG1 )) (( segid " " and resid 34 and name HG11)) 3.600 1.800 2.400 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.96682E-03 ppm1 2.570 ppm2 1.850 CV 1 OR { 2272} (( segid " " and resid 33 and name HG1 )) (( segid " " and resid 29 and name HG1 )) ASSI { 448} (( segid " " and resid 34 and name HN )) ( segid " " and resid 34 and name HD1%) 4.000 2.200 2.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.10711E-02 ppm1 8.338 ppm2 0.697 CV 1 OR { 448} (( segid " " and resid 34 and name HN )) ( segid " " and resid 30 and name HG2%) OR { 448} (( segid " " and resid 34 and name HN )) (( segid " " and resid 5 and name HG11)) OR { 448} (( segid " " and resid 34 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 450} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB )) 2.900 1.100 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.13299E-02 ppm1 8.340 ppm2 2.797 CV 1 OR { 450} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB2 )) ASSI { 452} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HA )) 3.400 1.600 2.300 peak 452 spectrum 1 weight 0.10000E+01 volume 0.89307E-03 ppm1 8.339 ppm2 4.629 CV 1 OR { 452} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 455} (( segid " " and resid 34 and name HN )) (( segid " " and resid 17 and name HE21)) 5.300 3.500 0.700 peak 455 spectrum 1 weight 0.10000E+01 volume 0.23370E-03 ppm1 8.341 ppm2 7.325 CV 1 OR { 455} (( segid " " and resid 34 and name HN )) (( segid " " and resid 39 and name HE3 )) ASSI { 2274} (( segid " " and resid 34 and name HA )) (( segid " " and resid 74 and name HA )) 4.100 2.300 1.900 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.15024E-02 ppm1 5.489 ppm2 4.057 CV 1 OR { 2274} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HB1 )) OR { 2274} (( segid " " and resid 34 and name HA )) (( segid " " and resid 39 and name HA )) OR { 2274} (( segid " " and resid 34 and name HA )) (( segid " " and resid 8 and name HA )) ASSI { 2276} (( segid " " and resid 34 and name HA )) (( segid " " and resid 9 and name HB1 )) 4.000 2.200 2.000 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.88610E-03 ppm1 5.489 ppm2 3.048 CV 1 OR { 2276} (( segid " " and resid 34 and name HA )) (( segid " " and resid 42 and name HB2 )) ASSI { 2280} (( segid " " and resid 34 and name HA )) ( segid " " and resid 38 and name HB% ) 3.900 2.100 2.100 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.66632E-03 ppm1 5.489 ppm2 1.526 CV 1 OR { 2280} (( segid " " and resid 34 and name HA )) ( segid " " and resid 14 and name HB% ) ASSI { 2282} (( segid " " and resid 34 and name HA )) ( segid " " and resid 34 and name HD1%) 2.400 0.600 1.200 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.15302E-02 ppm1 5.489 ppm2 0.678 CV 1 OR { 2282} (( segid " " and resid 34 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 2284} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HN )) 3.300 1.500 2.200 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.51053E-03 ppm1 5.488 ppm2 8.352 CV 1 OR { 2284} (( segid " " and resid 34 and name HA )) (( segid " " and resid 33 and name HN )) OR { 2284} (( segid " " and resid 34 and name HA )) (( segid " " and resid 38 and name HN )) ASSI { 2289} (( segid " " and resid 34 and name HB )) (( segid " " and resid 35 and name HA )) 3.700 1.900 2.300 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.54809E-03 ppm1 2.779 ppm2 4.698 CV 1 OR { 2289} (( segid " " and resid 34 and name HB )) (( segid " " and resid 17 and name HE22)) OR { 2289} (( segid " " and resid 34 and name HB )) (( segid " " and resid 7 and name HA )) ASSI { 2292} (( segid " " and resid 34 and name HB )) ( segid " " and resid 38 and name HB% ) 4.300 2.500 1.700 peak 2292 spectrum 1 weight 0.10000E+01 volume 0.11991E-02 ppm1 2.778 ppm2 1.510 CV 1 OR { 2292} (( segid " " and resid 34 and name HB )) ( segid " " and resid 14 and name HB% ) ASSI { 2294} (( segid " " and resid 34 and name HB )) ( segid " " and resid 30 and name HG2%) 3.000 1.200 1.800 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.21423E-02 ppm1 2.781 ppm2 0.718 CV 1 OR { 2294} (( segid " " and resid 34 and name HB )) ( segid " " and resid 34 and name HD1%) ASSI { 2295} (( segid " " and resid 34 and name HB )) (( segid " " and resid 34 and name HN )) 3.100 1.300 1.900 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.92510E-03 ppm1 2.778 ppm2 8.347 CV 1 OR { 2295} (( segid " " and resid 34 and name HB )) (( segid " " and resid 33 and name HN )) OR { 2295} (( segid " " and resid 34 and name HB )) (( segid " " and resid 38 and name HN )) OR { 2295} (( segid " " and resid 34 and name HB )) (( segid " " and resid 40 and name HN )) ASSI { 2297} (( segid " " and resid 34 and name HB )) (( segid " " and resid 39 and name HE3 )) 2.700 0.900 1.500 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.10099E-02 ppm1 2.782 ppm2 7.338 CV 1 OR { 2297} (( segid " " and resid 34 and name HB )) (( segid " " and resid 17 and name HE21)) ASSI { 2300} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 7 and name HA )) 5.600 3.800 0.400 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.21562E-03 ppm1 0.678 ppm2 4.676 CV 1 OR { 2300} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 35 and name HA )) OR { 2300} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 17 and name HE22)) ASSI { 2301} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 8 and name HB )) 3.700 1.900 2.300 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.48688E-03 ppm1 0.678 ppm2 4.399 CV 1 OR { 2301} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 9 and name HA )) ASSI { 2302} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 74 and name HA )) 3.300 1.500 2.100 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.33665E-03 ppm1 0.680 ppm2 4.080 CV 1 OR { 2302} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 39 and name HA )) OR { 2302} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 8 and name HA )) OR { 2302} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 35 and name HB1 )) ASSI { 2304} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 39 and name HB1 )) 6.000 4.200 0.000 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.18919E-03 ppm1 0.675 ppm2 3.423 CV 1 OR { 2304} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 73 and name HB2 )) OR { 2304} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 75 and name HB2 )) ASSI { 2305} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 9 and name HB1 )) 3.700 1.900 2.300 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.84716E-03 ppm1 0.680 ppm2 3.088 CV 1 OR { 2305} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 42 and name HB2 )) OR { 2305} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 75 and name HB1 )) OR { 2305} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 73 and name HB1 )) ASSI { 2306} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HB )) 4.000 2.200 2.000 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.61628E-03 ppm1 0.680 ppm2 2.799 CV 1 OR { 2306} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 33 and name HB2 )) ASSI { 2308} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 76 and name HB2 )) 3.300 1.500 2.200 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.15580E-02 ppm1 0.680 ppm2 2.330 CV 1 OR { 2308} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 76 and name HG1 )) OR { 2308} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 17 and name HB1 )) ASSI { 2311} ( segid " " and resid 34 and name HD1%) ( segid " " and resid 38 and name HB% ) 3.300 1.500 2.200 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.10252E-02 ppm1 0.679 ppm2 1.559 CV 1 OR { 2311} ( segid " " and resid 34 and name HD1%) ( segid " " and resid 14 and name HB% ) ASSI { 2318} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HN )) 4.600 2.800 1.400 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.41733E-03 ppm1 0.680 ppm2 8.362 CV 1 OR { 2318} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 38 and name HN )) OR { 2318} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 40 and name HN )) ASSI { 2320} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 39 and name HE3 )) 5.500 3.700 0.500 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.23927E-03 ppm1 0.680 ppm2 7.357 CV 1 OR { 2320} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 17 and name HE21)) ASSI { 2323} (( segid " " and resid 34 and name HG11)) ( segid " " and resid 30 and name HG2%) 2.200 0.400 0.900 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.22397E-02 ppm1 1.836 ppm2 0.707 CV 1 OR { 2323} (( segid " " and resid 34 and name HG11)) ( segid " " and resid 34 and name HD1%) ASSI { 2329} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 17 and name HE22)) 3.300 1.500 2.100 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.75677E-03 ppm1 1.255 ppm2 4.678 CV 1 OR { 2329} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 35 and name HA )) OR { 2329} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 7 and name HA )) ASSI { 2331} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 39 and name HA )) 3.300 1.500 2.200 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.71364E-03 ppm1 1.255 ppm2 4.090 CV 1 OR { 2331} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 36 and name HA )) OR { 2331} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 74 and name HA )) OR { 2331} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 35 and name HB1 )) ASSI { 2334} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 9 and name HB1 )) 4.300 2.500 1.700 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.56896E-03 ppm1 1.255 ppm2 3.090 CV 1 OR { 2334} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 42 and name HB2 )) OR { 2334} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 73 and name HB1 )) OR { 2334} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 75 and name HB1 )) ASSI { 2336} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 33 and name HG1 )) 6.000 4.200 0.000 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.17528E-03 ppm1 1.256 ppm2 2.553 CV 1 OR { 2336} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 41 and name HG1 )) ASSI { 2338} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 17 and name HB1 )) 4.700 2.900 1.300 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.31160E-03 ppm1 1.255 ppm2 2.306 CV 1 OR { 2338} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 76 and name HB2 )) OR { 2338} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 23 and name HB1 )) OR { 2338} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 76 and name HG1 )) OR { 2338} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 69 and name HB1 )) ASSI { 2339} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 34 and name HG11)) 2.400 0.600 1.100 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.25040E-02 ppm1 1.254 ppm2 1.800 CV 1 OR { 2339} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 10 and name HG )) ASSI { 2340} ( segid " " and resid 34 and name HG2%) ( segid " " and resid 38 and name HB% ) 2.000 0.200 0.800 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.65658E-02 ppm1 1.256 ppm2 1.518 CV 1 OR { 2340} ( segid " " and resid 34 and name HG2%) ( segid " " and resid 14 and name HB% ) ASSI { 2342} ( segid " " and resid 34 and name HG2%) ( segid " " and resid 34 and name HD1%) 2.300 0.500 1.000 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.40620E-02 ppm1 1.255 ppm2 0.688 CV 1 OR { 2342} ( segid " " and resid 34 and name HG2%) ( segid " " and resid 74 and name HD2%) OR { 2342} ( segid " " and resid 34 and name HG2%) ( segid " " and resid 30 and name HG2%) ASSI { 2349} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 38 and name HN )) 4.200 2.400 1.800 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.68862E-03 ppm1 1.255 ppm2 8.356 CV 1 OR { 2349} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 34 and name HN )) OR { 2349} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 40 and name HN )) ASSI { 2351} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 41 and name HN )) 5.800 4.000 0.200 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.15580E-03 ppm1 1.257 ppm2 7.840 CV 1 OR { 2351} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 39 and name HZ2 )) OR { 2351} ( segid " " and resid 34 and name HG2%) (( segid " " and resid 41 and name HE22)) ASSI { 460} (( segid " " and resid 35 and name HN )) ( segid " " and resid 34 and name HD1%) 4.500 2.700 1.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.40063E-03 ppm1 10.927 ppm2 0.677 CV 1 OR { 460} (( segid " " and resid 35 and name HN )) ( segid " " and resid 5 and name HD1%) OR { 460} (( segid " " and resid 35 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 463} (( segid " " and resid 35 and name HN )) (( segid " " and resid 10 and name HG )) 4.500 2.700 1.500 peak 463 spectrum 1 weight 0.10000E+01 volume 0.33247E-03 ppm1 10.929 ppm2 1.801 CV 1 OR { 463} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG11)) ASSI { 464} (( segid " " and resid 35 and name HN )) ( segid " " and resid 38 and name HB% ) 3.800 2.000 2.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.47576E-03 ppm1 10.926 ppm2 1.529 CV 1 OR { 464} (( segid " " and resid 35 and name HN )) ( segid " " and resid 14 and name HB% ) ASSI { 466} (( segid " " and resid 35 and name HN )) (( segid " " and resid 7 and name HB2 )) 3.700 1.900 2.300 peak 466 spectrum 1 weight 0.10000E+01 volume 0.19197E-03 ppm1 10.926 ppm2 2.775 CV 1 OR { 466} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB )) OR { 466} (( segid " " and resid 35 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 468} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.400 1.600 2.300 peak 468 spectrum 1 weight 0.10000E+01 volume 0.30326E-03 ppm1 10.927 ppm2 4.072 CV 1 OR { 468} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HA )) OR { 468} (( segid " " and resid 35 and name HN )) (( segid " " and resid 39 and name HA )) OR { 468} (( segid " " and resid 35 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 469} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) 4.000 2.200 2.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.24483E-03 ppm1 10.927 ppm2 4.650 CV 1 OR { 469} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) OR { 469} (( segid " " and resid 35 and name HN )) (( segid " " and resid 7 and name HA )) OR { 469} (( segid " " and resid 35 and name HN )) (( segid " " and resid 14 and name HA )) ASSI { 472} (( segid " " and resid 35 and name HN )) ( segid " " and resid 9 and name HD% ) 5.600 3.800 0.400 peak 472 spectrum 1 weight 0.10000E+01 volume 0.19058E-03 ppm1 10.927 ppm2 7.020 CV 1 OR { 472} (( segid " " and resid 35 and name HN )) ( segid " " and resid 31 and name HE% ) ASSI { 474} (( segid " " and resid 35 and name HN )) (( segid " " and resid 38 and name HN )) 5.400 3.600 0.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.14328E-03 ppm1 10.927 ppm2 8.339 CV 1 OR { 474} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HN )) ASSI { 2361} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 7 and name HB1 )) 3.800 2.000 2.200 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.49801E-03 ppm1 4.052 ppm2 3.148 CV 1 OR { 2361} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HE2 )) ASSI { 2362} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 7 and name HB2 )) 3.200 1.400 2.800 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.30465E-03 ppm1 4.064 ppm2 2.748 CV 1 OR { 2362} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 34 and name HB )) ASSI { 2364} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 14 and name HB% ) 2.700 0.900 1.400 peak 2364 spectrum 1 weight 0.10000E+01 volume 0.80403E-03 ppm1 4.064 ppm2 1.520 CV 1 OR { 2364} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 38 and name HB% ) ASSI { 2367} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 5 and name HD1%) 4.100 2.300 1.900 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.35334E-03 ppm1 4.054 ppm2 0.672 CV 1 OR { 2367} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 34 and name HD1%) OR { 2367} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 74 and name HD2%) ASSI { 2377} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 7 and name HB1 )) 5.800 4.000 0.200 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.27126E-03 ppm1 4.626 ppm2 3.151 CV 1 OR { 2377} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HE2 )) ASSI { 2378} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 7 and name HB2 )) 4.500 2.700 1.500 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.50636E-03 ppm1 4.619 ppm2 2.748 CV 1 OR { 2378} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 34 and name HB )) ASSI { 2382} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 34 and name HD1%) 4.100 2.300 1.900 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.31995E-03 ppm1 4.620 ppm2 0.667 CV 1 OR { 2382} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 74 and name HD2%) ASSI { 480} (( segid " " and resid 36 and name HN )) ( segid " " and resid 34 and name HD1%) 3.300 1.500 2.100 peak 480 spectrum 1 weight 0.10000E+01 volume 0.60236E-03 ppm1 8.630 ppm2 0.675 CV 1 OR { 480} (( segid " " and resid 36 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 482} (( segid " " and resid 36 and name HN )) ( segid " " and resid 14 and name HB% ) 4.100 2.300 1.900 peak 482 spectrum 1 weight 0.10000E+01 volume 0.11908E-02 ppm1 8.629 ppm2 1.504 CV 1 OR { 482} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HD2 )) OR { 482} (( segid " " and resid 36 and name HN )) ( segid " " and resid 38 and name HB% ) ASSI { 484} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB1 )) 4.600 2.800 1.400 peak 484 spectrum 1 weight 0.10000E+01 volume 0.10294E-02 ppm1 8.631 ppm2 2.781 CV 1 OR { 484} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HB )) ASSI { 486} (( segid " " and resid 36 and name HN )) (( segid " " and resid 16 and name HA2 )) 4.300 2.500 1.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.64962E-03 ppm1 8.630 ppm2 3.378 CV 1 OR { 486} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HE1 )) ASSI { 487} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.900 1.100 1.700 peak 487 spectrum 1 weight 0.10000E+01 volume 0.13188E-02 ppm1 8.630 ppm2 4.114 CV 1 OR { 487} (( segid " " and resid 36 and name HN )) (( segid " " and resid 17 and name HA )) ASSI { 488} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.700 0.900 1.400 peak 488 spectrum 1 weight 0.10000E+01 volume 0.85967E-03 ppm1 8.630 ppm2 4.629 CV 1 OR { 488} (( segid " " and resid 36 and name HN )) (( segid " " and resid 15 and name HA )) ASSI { 493} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HN )) 5.100 3.300 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.17389E-03 ppm1 8.631 ppm2 8.342 CV 1 OR { 493} (( segid " " and resid 36 and name HN )) (( segid " " and resid 40 and name HN )) ASSI { 2393} (( segid " " and resid 36 and name HA )) (( segid " " and resid 17 and name HG2 )) 3.900 2.100 2.100 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.18919E-02 ppm1 4.086 ppm2 2.617 CV 1 OR { 2393} (( segid " " and resid 36 and name HA )) (( segid " " and resid 15 and name HG1 )) ASSI { 2396} (( segid " " and resid 80 and name HA )) (( segid " " and resid 78 and name HD1 )) 3.600 1.800 2.400 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.19754E-02 ppm1 4.087 ppm2 1.736 CV 1 OR { 2396} (( segid " " and resid 36 and name HA )) (( segid " " and resid 74 and name HG )) ASSI { 2397} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HD2 )) 3.600 1.800 2.400 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.30743E-02 ppm1 4.085 ppm2 1.455 CV 1 OR { 2397} (( segid " " and resid 80 and name HA )) (( segid " " and resid 82 and name HG11)) ASSI { 2398} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG2 )) 2.300 0.500 1.000 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.51610E-02 ppm1 4.096 ppm2 0.859 CV 1 OR { 2398} (( segid " " and resid 80 and name HA )) ( segid " " and resid 80 and name HG1%) ASSI { 2401} (( segid " " and resid 36 and name HA )) (( segid " " and resid 39 and name HN )) 3.300 1.500 2.200 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.12367E-02 ppm1 4.086 ppm2 8.962 CV 1 OR { 2401} (( segid " " and resid 36 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 2405} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HE1 )) 3.300 1.500 2.100 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.10197E-02 ppm1 2.015 ppm2 3.398 CV 1 OR { 2405} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 39 and name HB1 )) ASSI { 2411} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 17 and name HA )) 1.800 0.000 0.600 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.40898E-02 ppm1 1.482 ppm2 4.121 CV 1 OR { 2411} (( segid " " and resid 36 and name HD2 )) (( segid " " and resid 36 and name HA )) ASSI { 2416} (( segid " " and resid 36 and name HE1 )) (( segid " " and resid 17 and name HA )) 2.900 1.100 1.700 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.68443E-03 ppm1 3.379 ppm2 4.087 CV 1 OR { 2416} (( segid " " and resid 36 and name HE1 )) (( segid " " and resid 36 and name HA )) ASSI { 2422} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 17 and name HE22)) 4.200 2.400 1.800 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.35473E-03 ppm1 0.860 ppm2 4.671 CV 1 OR { 2422} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 15 and name HA )) ASSI { 2425} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 17 and name HA )) 2.300 0.500 1.100 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.16832E-02 ppm1 0.860 ppm2 4.087 CV 1 OR { 2425} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HA )) OR { 2425} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 80 and name HA )) ASSI { 2426} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HE1 )) 3.200 1.400 2.000 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.34360E-03 ppm1 0.863 ppm2 3.387 CV 1 OR { 2426} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 16 and name HA2 )) ASSI { 2427} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HE2 )) 3.600 1.800 2.400 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.66219E-03 ppm1 0.862 ppm2 3.091 CV 1 OR { 2427} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 78 and name HE1 )) OR { 2427} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 81 and name HB1 )) ASSI { 2429} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 68 and name HB2 )) 5.200 3.400 0.800 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.35473E-03 ppm1 0.860 ppm2 2.280 CV 1 OR { 2429} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 71 and name HB )) ASSI { 2430} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 80 and name HB )) 2.600 0.800 1.300 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.23927E-02 ppm1 0.862 ppm2 2.013 CV 1 OR { 2430} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HB1 )) ASSI { 2433} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HN )) 4.300 2.500 1.700 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.53140E-03 ppm1 0.860 ppm2 8.659 CV 1 OR { 2433} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 81 and name HN )) ASSI { 2434} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 72 and name HN )) 4.100 2.300 1.900 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.13118E-02 ppm1 0.860 ppm2 8.176 CV 1 OR { 2434} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 85 and name HN )) ASSI { 2436} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 68 and name HE22)) 4.500 2.700 1.500 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.39785E-03 ppm1 0.858 ppm2 7.076 CV 1 OR { 2436} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 81 and name HD2 )) OR { 2436} ( segid " " and resid 80 and name HG1%) ( segid " " and resid 85 and name HE% ) ASSI { 498} (( segid " " and resid 37 and name HN )) ( segid " " and resid 34 and name HD1%) 5.500 3.700 0.500 peak 498 spectrum 1 weight 0.10000E+01 volume 0.18224E-03 ppm1 9.130 ppm2 0.673 CV 1 OR { 498} (( segid " " and resid 37 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 505} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 3.300 1.500 2.200 peak 505 spectrum 1 weight 0.10000E+01 volume 0.54531E-03 ppm1 9.129 ppm2 4.101 CV 1 OR { 505} (( segid " " and resid 37 and name HN )) (( segid " " and resid 39 and name HA )) ASSI { 511} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) 3.400 1.600 2.400 peak 511 spectrum 1 weight 0.10000E+01 volume 0.22535E-03 ppm1 9.129 ppm2 8.338 CV 1 OR { 511} (( segid " " and resid 37 and name HN )) (( segid " " and resid 40 and name HN )) ASSI { 2441} (( segid " " and resid 37 and name HA )) (( segid " " and resid 36 and name HB1 )) 2.700 0.900 3.300 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.27404E-02 ppm1 4.520 ppm2 2.037 CV 1 OR { 2441} (( segid " " and resid 37 and name HA )) (( segid " " and resid 43 and name HG1 )) ASSI { 2446} (( segid " " and resid 37 and name HA )) (( segid " " and resid 38 and name HN )) 3.200 1.400 2.100 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.12088E-02 ppm1 4.511 ppm2 8.351 CV 1 OR { 2446} (( segid " " and resid 37 and name HA )) (( segid " " and resid 40 and name HN )) ASSI { 515} (( segid " " and resid 38 and name HN )) ( segid " " and resid 34 and name HD1%) 5.000 3.200 1.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.54670E-03 ppm1 8.337 ppm2 0.684 CV 1 OR { 515} (( segid " " and resid 38 and name HN )) ( segid " " and resid 74 and name HD2%) OR { 515} (( segid " " and resid 38 and name HN )) ( segid " " and resid 30 and name HG2%) ASSI { 519} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HB1 )) 1.900 0.100 4.100 peak 519 spectrum 1 weight 0.10000E+01 volume 0.12297E-02 ppm1 8.329 ppm2 1.972 CV 1 OR { 519} (( segid " " and resid 38 and name HN )) (( segid " " and resid 23 and name HB2 )) OR { 519} (( segid " " and resid 38 and name HN )) (( segid " " and resid 66 and name HG )) ASSI { 521} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) 3.800 2.000 2.200 peak 521 spectrum 1 weight 0.10000E+01 volume 0.10113E-02 ppm1 8.337 ppm2 2.801 CV 1 OR { 521} (( segid " " and resid 38 and name HN )) (( segid " " and resid 34 and name HB )) ASSI { 522} (( segid " " and resid 38 and name HN )) (( segid " " and resid 9 and name HB1 )) 4.300 2.500 1.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.80267E-03 ppm1 8.336 ppm2 3.105 CV 1 OR { 522} (( segid " " and resid 38 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 525} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.600 1.800 2.400 peak 525 spectrum 1 weight 0.10000E+01 volume 0.13702E-02 ppm1 8.335 ppm2 4.090 CV 1 OR { 525} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HA )) OR { 525} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HA )) ASSI { 2450} (( segid " " and resid 38 and name HA )) (( segid " " and resid 41 and name HG2 )) 5.100 3.300 0.900 peak 2450 spectrum 1 weight 0.10000E+01 volume 0.40898E-03 ppm1 3.845 ppm2 2.850 CV 1 OR { 2450} (( segid " " and resid 38 and name HA )) (( segid " " and resid 42 and name HB1 )) ASSI { 2455} (( segid " " and resid 38 and name HA )) ( segid " " and resid 74 and name HD2%) 4.500 2.700 1.500 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.35334E-03 ppm1 3.845 ppm2 0.683 CV 1 OR { 2455} (( segid " " and resid 38 and name HA )) ( segid " " and resid 34 and name HD1%) OR { 2455} (( segid " " and resid 38 and name HA )) ( segid " " and resid 30 and name HG2%) ASSI { 2459} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) 3.000 1.200 1.800 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.80686E-03 ppm1 3.843 ppm2 8.338 CV 1 OR { 2459} (( segid " " and resid 38 and name HA )) (( segid " " and resid 40 and name HN )) ASSI { 2466} ( segid " " and resid 38 and name HB% ) (( segid " " and resid 35 and name HB2 )) 4.300 2.500 1.700 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.44654E-03 ppm1 1.527 ppm2 4.652 CV 1 OR { 2466} ( segid " " and resid 38 and name HB% ) (( segid " " and resid 17 and name HE22)) ASSI { 2467} ( segid " " and resid 38 and name HB% ) (( segid " " and resid 9 and name HA )) 3.800 2.000 2.200 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.19614E-02 ppm1 1.521 ppm2 4.416 CV 1 OR { 2467} ( segid " " and resid 38 and name HB% ) (( segid " " and resid 8 and name HB )) ASSI { 2471} ( segid " " and resid 38 and name HB% ) (( segid " " and resid 9 and name HB1 )) 2.600 0.800 1.400 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.15859E-02 ppm1 1.525 ppm2 3.096 CV 1 OR { 2471} ( segid " " and resid 38 and name HB% ) (( segid " " and resid 42 and name HB2 )) ASSI { 2472} ( segid " " and resid 38 and name HB% ) (( segid " " and resid 34 and name HB )) 4.600 2.800 1.400 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.86527E-03 ppm1 1.523 ppm2 2.810 CV 1 OR { 2472} ( segid " " and resid 38 and name HB% ) (( segid " " and resid 37 and name HB1 )) ASSI { 2475} ( segid " " and resid 38 and name HB% ) ( segid " " and resid 34 and name HD1%) 2.900 1.100 1.700 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.19893E-02 ppm1 1.522 ppm2 0.680 CV 1 OR { 2475} ( segid " " and resid 38 and name HB% ) ( segid " " and resid 74 and name HD2%) ASSI { 2483} ( segid " " and resid 38 and name HB% ) (( segid " " and resid 38 and name HN )) 3.000 1.200 1.800 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.12437E-02 ppm1 1.525 ppm2 8.335 CV 1 OR { 2483} ( segid " " and resid 38 and name HB% ) (( segid " " and resid 40 and name HN )) ASSI { 536} (( segid " " and resid 39 and name HN )) ( segid " " and resid 74 and name HD2%) 4.800 3.000 1.200 peak 536 spectrum 1 weight 0.10000E+01 volume 0.38116E-03 ppm1 8.946 ppm2 0.703 CV 1 OR { 536} (( segid " " and resid 39 and name HN )) ( segid " " and resid 34 and name HD1%) OR { 536} (( segid " " and resid 39 and name HN )) ( segid " " and resid 30 and name HG2%) ASSI { 540} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HB1 )) 3.300 1.500 2.700 peak 540 spectrum 1 weight 0.10000E+01 volume 0.74284E-03 ppm1 8.953 ppm2 1.994 CV 1 OR { 540} (( segid " " and resid 39 and name HN )) (( segid " " and resid 30 and name HB )) ASSI { 542} (( segid " " and resid 39 and name HN )) (( segid " " and resid 34 and name HB )) 4.800 3.000 1.200 peak 542 spectrum 1 weight 0.10000E+01 volume 0.53835E-03 ppm1 8.946 ppm2 2.805 CV 1 OR { 542} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 543} (( segid " " and resid 39 and name HN )) (( segid " " and resid 42 and name HB2 )) 4.100 2.300 1.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.37003E-03 ppm1 8.953 ppm2 3.111 CV 1 OR { 543} (( segid " " and resid 39 and name HN )) (( segid " " and resid 44 and name HB1 )) ASSI { 546} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 3.200 1.400 2.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.93761E-03 ppm1 8.947 ppm2 4.101 CV 1 OR { 546} (( segid " " and resid 39 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 551} (( segid " " and resid 39 and name HN )) (( segid " " and resid 17 and name HE21)) 4.400 2.600 1.600 peak 551 spectrum 1 weight 0.10000E+01 volume 0.56619E-03 ppm1 8.946 ppm2 7.309 CV 1 OR { 551} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HE3 )) ASSI { 553} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 3.200 1.400 2.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.52722E-03 ppm1 8.945 ppm2 8.335 CV 1 OR { 553} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HN )) ASSI { 1170} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HB1 )) 5.900 4.100 0.100 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.13911E-03 ppm1 10.177 ppm2 2.836 CV 1 OR { 1170} (( segid " " and resid 39 and name HN )) (( segid " " and resid 41 and name HG2 )) OR { 1170} (( segid " " and resid 39 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 1172} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HA )) 5.900 4.100 0.100 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.14189E-03 ppm1 10.177 ppm2 4.127 CV 1 OR { 1172} (( segid " " and resid 39 and name HN )) (( segid " " and resid 41 and name HA )) OR { 1172} (( segid " " and resid 39 and name HN )) (( segid " " and resid 31 and name HA )) OR { 1172} (( segid " " and resid 39 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 2488} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HN )) 2.700 0.900 1.500 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.24483E-02 ppm1 4.083 ppm2 8.957 CV 1 OR { 2488} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 2489} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HN )) 3.100 1.300 1.900 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.21006E-02 ppm1 4.082 ppm2 8.309 CV 1 OR { 2489} (( segid " " and resid 52 and name HA )) (( segid " " and resid 53 and name HN )) OR { 2489} (( segid " " and resid 39 and name HA )) (( segid " " and resid 38 and name HN )) ASSI { 2494} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 39 and name HA )) 3.700 1.900 2.300 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.42707E-03 ppm1 3.442 ppm2 4.083 CV 1 OR { 2494} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 2500} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 40 and name HN )) 3.000 1.200 1.800 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.55644E-03 ppm1 3.438 ppm2 8.354 CV 1 OR { 2500} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 38 and name HN )) ASSI { 2501} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 39 and name HE3 )) 3.300 1.500 2.200 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.11407E-02 ppm1 3.441 ppm2 7.330 CV 1 OR { 2501} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 17 and name HE21)) ASSI { 560} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.500 0.700 1.200 peak 560 spectrum 1 weight 0.10000E+01 volume 0.46880E-02 ppm1 8.324 ppm2 4.114 CV 1 OR { 560} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) OR { 560} (( segid " " and resid 40 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 2506} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HA )) 5.700 3.900 0.300 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.20310E-03 ppm1 4.146 ppm2 2.848 CV 1 OR { 2506} (( segid " " and resid 40 and name HA )) (( segid " " and resid 42 and name HB1 )) OR { 2506} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name HG2 )) ASSI { 2509} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name HB% ) 2.500 0.700 1.300 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.44654E-02 ppm1 4.144 ppm2 1.662 CV 1 OR { 2509} (( segid " " and resid 40 and name HA )) (( segid " " and resid 43 and name HG2 )) ASSI { 2515} (( segid " " and resid 40 and name HA )) (( segid " " and resid 44 and name HN )) 4.300 2.500 1.700 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.48966E-03 ppm1 4.145 ppm2 7.348 CV 1 OR { 2515} (( segid " " and resid 40 and name HA )) (( segid " " and resid 39 and name HE3 )) ASSI { 2517} ( segid " " and resid 40 and name HB% ) (( segid " " and resid 40 and name HA )) 2.700 0.900 1.500 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.25874E-02 ppm1 1.654 ppm2 4.143 CV 1 OR { 2517} ( segid " " and resid 40 and name HB% ) (( segid " " and resid 41 and name HA )) ASSI { 2520} ( segid " " and resid 40 and name HB% ) (( segid " " and resid 44 and name HB1 )) 4.900 3.100 1.100 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.20171E-03 ppm1 1.658 ppm2 3.096 CV 1 OR { 2520} ( segid " " and resid 40 and name HB% ) (( segid " " and resid 42 and name HB2 )) ASSI { 2521} ( segid " " and resid 40 and name HB% ) (( segid " " and resid 37 and name HB1 )) 4.800 3.000 1.200 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.46601E-03 ppm1 1.655 ppm2 2.838 CV 1 OR { 2521} ( segid " " and resid 40 and name HB% ) (( segid " " and resid 41 and name HG2 )) OR { 2521} ( segid " " and resid 40 and name HB% ) (( segid " " and resid 43 and name HA )) ASSI { 2526} ( segid " " and resid 40 and name HB% ) ( segid " " and resid 74 and name HD2%) 5.600 3.800 0.400 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.20588E-03 ppm1 1.660 ppm2 0.677 CV 1 OR { 2526} ( segid " " and resid 40 and name HB% ) ( segid " " and resid 34 and name HD1%) ASSI { 2534} ( segid " " and resid 40 and name HB% ) (( segid " " and resid 44 and name HN )) 4.800 3.000 1.200 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.30048E-03 ppm1 1.657 ppm2 7.314 CV 1 OR { 2534} ( segid " " and resid 40 and name HB% ) (( segid " " and resid 39 and name HE3 )) ASSI { 570} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG2 )) 4.400 2.600 1.600 peak 570 spectrum 1 weight 0.10000E+01 volume 0.88056E-03 ppm1 7.819 ppm2 2.863 CV 1 OR { 570} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HB1 )) OR { 570} (( segid " " and resid 41 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 573} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 3.400 1.600 2.300 peak 573 spectrum 1 weight 0.10000E+01 volume 0.72196E-03 ppm1 7.820 ppm2 4.150 CV 1 OR { 573} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) ASSI { 575} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HE21)) 4.800 3.000 1.200 peak 575 spectrum 1 weight 0.10000E+01 volume 0.48271E-03 ppm1 7.820 ppm2 7.236 CV 1 OR { 575} (( segid " " and resid 41 and name HN )) (( segid " " and resid 39 and name HD1 )) ASSI { 577} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HN )) 3.000 1.200 1.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.84858E-03 ppm1 7.820 ppm2 8.318 CV 1 OR { 577} (( segid " " and resid 41 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 2536} (( segid " " and resid 41 and name HA )) (( segid " " and resid 45 and name HN )) 2.400 0.600 3.600 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.71364E-02 ppm1 4.173 ppm2 7.153 CV 1 OR { 2536} (( segid " " and resid 41 and name HA )) (( segid " " and resid 43 and name HE21)) ASSI { 2539} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HG2 )) 2.900 1.100 1.700 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.94870E-03 ppm1 2.491 ppm2 2.861 CV 1 OR { 2539} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 42 and name HB1 )) ASSI { 2543} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HG2 )) 4.100 2.300 1.900 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.48549E-03 ppm1 2.429 ppm2 2.870 CV 1 OR { 2543} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 42 and name HB1 )) ASSI { 2547} (( segid " " and resid 41 and name HG1 )) (( segid " " and resid 42 and name HB2 )) 5.100 3.300 0.900 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.24762E-03 ppm1 2.533 ppm2 3.097 CV 1 OR { 2547} (( segid " " and resid 41 and name HG1 )) (( segid " " and resid 44 and name HB1 )) OR { 2547} (( segid " " and resid 41 and name HG1 )) (( segid " " and resid 45 and name HE2 )) ASSI { 579} (( segid " " and resid 42 and name HN )) ( segid " " and resid 34 and name HD1%) 4.700 2.900 1.300 peak 579 spectrum 1 weight 0.10000E+01 volume 0.63711E-03 ppm1 8.181 ppm2 0.709 CV 1 OR { 579} (( segid " " and resid 42 and name HN )) ( segid " " and resid 30 and name HG2%) ASSI { 580} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HB2 )) 4.800 3.000 1.200 peak 580 spectrum 1 weight 0.10000E+01 volume 0.26014E-03 ppm1 8.189 ppm2 1.388 CV 1 OR { 580} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HB1 )) OR { 580} (( segid " " and resid 42 and name HN )) ( segid " " and resid 70 and name HE% ) ASSI { 581} (( segid " " and resid 42 and name HN )) ( segid " " and resid 40 and name HB% ) 4.100 2.300 1.900 peak 581 spectrum 1 weight 0.10000E+01 volume 0.13814E-02 ppm1 8.183 ppm2 1.678 CV 1 OR { 581} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HG2 )) OR { 581} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HD2 )) ASSI { 584} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB1 )) 2.900 1.100 1.700 peak 584 spectrum 1 weight 0.10000E+01 volume 0.14050E-02 ppm1 8.182 ppm2 2.884 CV 1 OR { 584} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG2 )) OR { 584} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 585} (( segid " " and resid 42 and name HN )) (( segid " " and resid 73 and name HB2 )) 4.000 2.200 2.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.21423E-03 ppm1 8.183 ppm2 3.415 CV 1 OR { 585} (( segid " " and resid 42 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 587} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) 3.300 1.500 2.100 peak 587 spectrum 1 weight 0.10000E+01 volume 0.81795E-03 ppm1 8.184 ppm2 3.891 CV 1 OR { 587} (( segid " " and resid 42 and name HN )) (( segid " " and resid 38 and name HA )) ASSI { 588} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 3.600 1.800 2.400 peak 588 spectrum 1 weight 0.10000E+01 volume 0.91950E-03 ppm1 8.187 ppm2 4.155 CV 1 OR { 588} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HA )) ASSI { 592} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HE21)) 3.800 2.000 2.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.10197E-02 ppm1 8.183 ppm2 7.245 CV 1 OR { 592} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HD1 )) ASSI { 595} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HN )) 3.000 1.200 1.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.90280E-03 ppm1 8.183 ppm2 8.453 CV 1 OR { 595} (( segid " " and resid 42 and name HN )) (( segid " " and resid 46 and name HN )) ASSI { 1185} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HB1 )) 4.100 2.300 1.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.10684E-02 ppm1 9.564 ppm2 1.418 CV 1 OR { 1185} (( segid " " and resid 42 and name HN )) ( segid " " and resid 70 and name HE% ) ASSI { 1187} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB1 )) 3.400 1.600 2.400 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.46045E-03 ppm1 9.564 ppm2 2.899 CV 1 OR { 1187} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG2 )) ASSI { 1188} (( segid " " and resid 42 and name HN )) (( segid " " and resid 39 and name HA )) 4.400 2.600 1.600 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.17667E-03 ppm1 9.564 ppm2 4.100 CV 1 OR { 1188} (( segid " " and resid 42 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 2562} (( segid " " and resid 42 and name HA )) (( segid " " and resid 73 and name HB2 )) 6.000 4.200 0.000 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.42011E-04 ppm1 3.902 ppm2 3.384 CV 1 OR { 2562} (( segid " " and resid 42 and name HA )) (( segid " " and resid 75 and name HB2 )) ASSI { 2563} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB2 )) 2.800 1.000 1.500 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.14328E-02 ppm1 3.907 ppm2 3.084 CV 1 OR { 2563} (( segid " " and resid 42 and name HA )) (( segid " " and resid 44 and name HB1 )) OR { 2563} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HE2 )) ASSI { 2564} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB1 )) 3.400 1.600 2.300 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.91537E-03 ppm1 3.905 ppm2 2.878 CV 1 OR { 2564} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HA )) OR { 2564} (( segid " " and resid 42 and name HA )) (( segid " " and resid 41 and name HG2 )) ASSI { 2565} (( segid " " and resid 42 and name HA )) (( segid " " and resid 74 and name HG )) 4.100 2.300 1.900 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.88197E-03 ppm1 3.908 ppm2 1.737 CV 1 OR { 2565} (( segid " " and resid 42 and name HA )) (( segid " " and resid 70 and name HB2 )) ASSI { 2567} (( segid " " and resid 42 and name HA )) ( segid " " and resid 74 and name HD2%) 4.600 2.800 1.400 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.74007E-03 ppm1 3.907 ppm2 0.687 CV 1 OR { 2567} (( segid " " and resid 42 and name HA )) ( segid " " and resid 34 and name HD1%) OR { 2567} (( segid " " and resid 42 and name HA )) ( segid " " and resid 30 and name HG2%) ASSI { 2568} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HN )) 3.400 1.600 2.200 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.88197E-03 ppm1 3.905 ppm2 8.467 CV 1 OR { 2568} (( segid " " and resid 42 and name HA )) (( segid " " and resid 46 and name HN )) ASSI { 2571} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HN )) 3.200 1.400 2.000 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.17249E-02 ppm1 3.905 ppm2 7.200 CV 1 OR { 2571} (( segid " " and resid 42 and name HA )) (( segid " " and resid 41 and name HE21)) ASSI { 2578} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 74 and name HD2%) 3.300 1.500 2.200 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.48966E-03 ppm1 2.894 ppm2 0.690 CV 1 OR { 2578} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 34 and name HD1%) OR { 2578} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 30 and name HG2%) ASSI { 2579} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 43 and name HN )) 3.900 2.100 2.100 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.26987E-03 ppm1 2.880 ppm2 8.456 CV 1 OR { 2579} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 46 and name HN )) OR { 2579} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 74 and name HN )) ASSI { 2581} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name HD1 )) 3.200 1.400 2.000 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.52305E-03 ppm1 2.880 ppm2 7.295 CV 1 OR { 2581} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 39 and name HE3 )) ASSI { 2584} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 74 and name HD2%) 3.300 1.500 2.200 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.68862E-03 ppm1 3.080 ppm2 0.702 CV 1 OR { 2584} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 34 and name HD1%) OR { 2584} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 30 and name HG2%) ASSI { 2585} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 43 and name HN )) 4.100 2.300 1.900 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.85690E-03 ppm1 3.071 ppm2 8.464 CV 1 OR { 2585} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 74 and name HN )) OR { 2585} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 46 and name HN )) ASSI { 2587} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HD1 )) 3.200 1.400 2.100 peak 2587 spectrum 1 weight 0.10000E+01 volume 0.30187E-02 ppm1 3.082 ppm2 7.305 CV 1 OR { 2587} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 44 and name HN )) OR { 2587} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 39 and name HE3 )) ASSI { 598} (( segid " " and resid 43 and name HN )) ( segid " " and resid 74 and name HD2%) 2.000 0.200 4.000 peak 598 spectrum 1 weight 0.10000E+01 volume 0.64266E-03 ppm1 8.453 ppm2 0.698 CV 1 OR { 598} (( segid " " and resid 43 and name HN )) ( segid " " and resid 34 and name HD1%) OR { 598} (( segid " " and resid 43 and name HN )) (( segid " " and resid 55 and name HG )) ASSI { 599} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HB2 )) 4.000 2.200 2.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.58147E-03 ppm1 8.451 ppm2 1.327 CV 1 OR { 599} (( segid " " and resid 43 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 600} (( segid " " and resid 43 and name HN )) ( segid " " and resid 40 and name HB% ) 3.700 1.900 2.300 peak 600 spectrum 1 weight 0.10000E+01 volume 0.17110E-02 ppm1 8.454 ppm2 1.691 CV 1 OR { 600} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HD2 )) ASSI { 603} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.700 0.900 1.400 peak 603 spectrum 1 weight 0.10000E+01 volume 0.24622E-02 ppm1 8.447 ppm2 2.844 CV 1 OR { 603} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB1 )) OR { 603} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HG2 )) ASSI { 604} (( segid " " and resid 43 and name HN )) (( segid " " and resid 40 and name HA )) 3.200 1.400 2.100 peak 604 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 8.454 ppm2 4.125 CV 1 OR { 604} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HA )) ASSI { 606} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HE22)) 6.000 4.200 0.000 peak 606 spectrum 1 weight 0.10000E+01 volume 0.25596E-04 ppm1 8.453 ppm2 6.021 CV 1 OR { 606} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HZ3 )) ASSI { 607} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HN )) 2.800 1.000 1.600 peak 607 spectrum 1 weight 0.10000E+01 volume 0.16832E-02 ppm1 8.454 ppm2 7.324 CV 1 OR { 607} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HD1 )) ASSI { 2590} (( segid " " and resid 43 and name HA )) (( segid " " and resid 40 and name HA )) 3.800 2.000 2.200 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.18641E-02 ppm1 2.852 ppm2 4.119 CV 1 OR { 2590} (( segid " " and resid 43 and name HA )) (( segid " " and resid 39 and name HA )) OR { 2590} (( segid " " and resid 43 and name HA )) (( segid " " and resid 47 and name HB )) OR { 2590} (( segid " " and resid 43 and name HA )) (( segid " " and resid 41 and name HA )) ASSI { 2591} (( segid " " and resid 43 and name HA )) (( segid " " and resid 47 and name HA )) 4.000 2.200 2.000 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.84716E-03 ppm1 2.849 ppm2 3.726 CV 1 OR { 2591} (( segid " " and resid 43 and name HA )) (( segid " " and resid 45 and name HA )) ASSI { 2594} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HG1 )) 3.300 1.500 2.200 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.11490E-02 ppm1 2.848 ppm2 2.062 CV 1 OR { 2594} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HG2 )) ASSI { 2596} (( segid " " and resid 43 and name HA )) ( segid " " and resid 66 and name HD1%) 4.500 2.700 1.500 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.43402E-03 ppm1 2.855 ppm2 0.990 CV 1 OR { 2596} (( segid " " and resid 43 and name HA )) ( segid " " and resid 50 and name HG2%) ASSI { 2598} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HG2 )) 4.200 2.400 1.800 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.79990E-03 ppm1 2.847 ppm2 1.651 CV 1 OR { 2598} (( segid " " and resid 43 and name HA )) ( segid " " and resid 40 and name HB% ) ASSI { 2599} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HG1 )) 3.300 1.500 2.200 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.31856E-02 ppm1 2.850 ppm2 1.866 CV 1 OR { 2599} (( segid " " and resid 43 and name HA )) (( segid " " and resid 50 and name HB )) ASSI { 2600} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) 3.200 1.400 2.100 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.89725E-03 ppm1 2.850 ppm2 8.466 CV 1 OR { 2600} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HN )) ASSI { 2604} (( segid " " and resid 43 and name HA )) (( segid " " and resid 45 and name HN )) 3.700 1.900 2.300 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.90840E-03 ppm1 2.848 ppm2 7.203 CV 1 OR { 2604} (( segid " " and resid 43 and name HA )) (( segid " " and resid 39 and name HD1 )) OR { 2604} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HE21)) ASSI { 2605} (( segid " " and resid 43 and name HA )) (( segid " " and resid 44 and name HN )) 3.500 1.700 2.400 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.91254E-03 ppm1 2.850 ppm2 7.301 CV 1 OR { 2605} (( segid " " and resid 43 and name HA )) (( segid " " and resid 42 and name HD1 )) ASSI { 2609} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 40 and name HA )) 2.600 0.800 1.300 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.36029E-02 ppm1 1.889 ppm2 4.135 CV 1 OR { 2609} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 41 and name HA )) ASSI { 2611} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) 2.600 0.800 1.400 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.18780E-02 ppm1 1.909 ppm2 2.848 CV 1 OR { 2611} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 42 and name HB1 )) ASSI { 2616} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 40 and name HA )) 4.100 2.300 1.900 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.12242E-02 ppm1 2.071 ppm2 4.139 CV 1 OR { 2616} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 47 and name HB )) OR { 2616} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 41 and name HA )) ASSI { 2624} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 43 and name HN )) 4.200 2.400 1.800 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.11908E-02 ppm1 2.071 ppm2 8.460 CV 1 OR { 2624} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 46 and name HN )) ASSI { 2629} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 40 and name HA )) 4.500 2.700 1.500 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.30883E-03 ppm1 1.649 ppm2 4.142 CV 1 OR { 2629} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 47 and name HB )) ASSI { 2639} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HN )) 5.100 3.300 0.900 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.58425E-03 ppm1 1.651 ppm2 8.438 CV 1 OR { 2639} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 46 and name HN )) ASSI { 2642} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HE21)) 4.700 2.900 1.300 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.38255E-03 ppm1 1.651 ppm2 7.150 CV 1 OR { 2642} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 45 and name HN )) ASSI { 622} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 3.500 1.700 2.500 peak 622 spectrum 1 weight 0.10000E+01 volume 0.46463E-03 ppm1 7.342 ppm2 8.439 CV 1 OR { 622} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HN )) ASSI { 624} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HN )) 3.000 1.200 3.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.67605E-04 ppm1 7.342 ppm2 7.836 CV 1 OR { 624} (( segid " " and resid 44 and name HN )) (( segid " " and resid 55 and name HN )) OR { 624} (( segid " " and resid 44 and name HN )) (( segid " " and resid 65 and name HN )) ASSI { 2646} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HN )) 2.500 0.700 1.300 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.42428E-02 ppm1 4.229 ppm2 7.354 CV 1 OR { 2646} (( segid " " and resid 44 and name HA )) (( segid " " and resid 48 and name HN )) ASSI { 630} (( segid " " and resid 45 and name HN )) (( segid " " and resid 41 and name HB1 )) 4.100 2.300 1.900 peak 630 spectrum 1 weight 0.10000E+01 volume 0.36029E-04 ppm1 7.165 ppm2 2.482 CV 1 OR { 630} (( segid " " and resid 45 and name HN )) (( segid " " and resid 52 and name HG1 )) ASSI { 631} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HB1 )) 3.200 1.400 2.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.78320E-03 ppm1 7.166 ppm2 3.087 CV 1 OR { 631} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HE2 )) ASSI { 637} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) 3.600 1.800 2.400 peak 637 spectrum 1 weight 0.10000E+01 volume 0.32413E-03 ppm1 7.166 ppm2 8.462 CV 1 OR { 637} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 2659} (( segid " " and resid 45 and name HA )) (( segid " " and resid 47 and name HB )) 3.400 1.600 2.300 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.15441E-02 ppm1 3.744 ppm2 4.109 CV 1 OR { 2659} (( segid " " and resid 45 and name HA )) (( segid " " and resid 52 and name HA )) ASSI { 2666} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG1 )) 3.900 2.100 2.100 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.12381E-02 ppm1 3.736 ppm2 1.142 CV 1 OR { 2666} (( segid " " and resid 45 and name HA )) (( segid " " and resid 49 and name HB2 )) ASSI { 2667} (( segid " " and resid 45 and name HA )) ( segid " " and resid 49 and name HD1%) 4.900 3.100 1.100 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.71364E-03 ppm1 3.740 ppm2 0.917 CV 1 OR { 2667} (( segid " " and resid 45 and name HA )) ( segid " " and resid 50 and name HD1%) ASSI { 2668} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) 3.600 1.800 2.400 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.60094E-03 ppm1 3.734 ppm2 8.490 CV 1 OR { 2668} (( segid " " and resid 45 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 2670} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HN )) 3.200 1.400 2.000 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.12881E-02 ppm1 3.742 ppm2 7.345 CV 1 OR { 2670} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HN )) ASSI { 2676} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HE2 )) 4.100 2.300 1.900 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.10085E-02 ppm1 1.414 ppm2 3.086 CV 1 OR { 2676} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 44 and name HB1 )) ASSI { 2678} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 49 and name HD1%) 4.000 2.200 2.000 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.18084E-02 ppm1 1.400 ppm2 0.851 CV 1 OR { 2678} (( segid " " and resid 45 and name HB1 )) ( segid " " and resid 50 and name HD1%) ASSI { 2680} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 49 and name HN )) 3.900 2.100 2.100 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.96818E-03 ppm1 1.406 ppm2 8.501 CV 1 OR { 2680} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 50 and name HN )) ASSI { 2683} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 48 and name HN )) 4.000 2.200 2.000 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.13215E-02 ppm1 1.412 ppm2 7.343 CV 1 OR { 2683} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 44 and name HN )) ASSI { 2689} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 46 and name HA )) 2.600 0.800 3.400 peak 2689 spectrum 1 weight 0.10000E+01 volume 0.52862E-02 ppm1 1.560 ppm2 2.976 CV 1 OR { 2689} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 53 and name HE2 )) ASSI { 2691} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 49 and name HB2 )) 2.100 0.300 3.900 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.38811E-01 ppm1 1.565 ppm2 1.147 CV 1 OR { 2691} (( segid " " and resid 45 and name HD1 )) ( segid " " and resid 47 and name HG2%) ASSI { 2697} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 48 and name HA )) 3.100 1.300 2.900 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.77901E-02 ppm1 1.694 ppm2 4.140 CV 1 OR { 2697} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 47 and name HB )) OR { 2697} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 69 and name HA )) ASSI { 2698} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HG1 )) 2.300 0.500 1.000 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.38255E-02 ppm1 1.693 ppm2 1.095 CV 1 OR { 2698} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 49 and name HB2 )) ASSI { 2699} (( segid " " and resid 45 and name HD2 )) ( segid " " and resid 49 and name HD1%) 3.100 1.300 2.000 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.78875E-02 ppm1 1.693 ppm2 0.910 CV 1 OR { 2699} (( segid " " and resid 45 and name HD2 )) ( segid " " and resid 50 and name HD1%) ASSI { 2703} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 46 and name HN )) 3.400 1.600 2.300 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.17528E-02 ppm1 1.694 ppm2 8.484 CV 1 OR { 2703} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 50 and name HN )) OR { 2703} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 43 and name HN )) ASSI { 2706} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 46 and name HA )) 4.100 2.300 1.900 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.10642E-02 ppm1 1.101 ppm2 2.976 CV 1 OR { 2706} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 53 and name HE2 )) ASSI { 2707} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 46 and name HN )) 4.300 2.500 1.700 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.11713E-02 ppm1 1.108 ppm2 8.481 CV 1 OR { 2707} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 43 and name HN )) ASSI { 2712} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 44 and name HB1 )) 2.200 0.400 3.800 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.12478E-02 ppm1 1.228 ppm2 3.046 CV 1 OR { 2712} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 42 and name HB2 )) OR { 2712} (( segid " " and resid 45 and name HG2 )) (( segid " " and resid 53 and name HE1 )) ASSI { 2714} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 49 and name HD1%) 6.000 4.200 0.000 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.28935E-03 ppm1 1.222 ppm2 0.849 CV 1 OR { 2714} (( segid " " and resid 45 and name HG2 )) ( segid " " and resid 50 and name HD1%) ASSI { 641} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) 2.600 0.800 1.400 peak 641 spectrum 1 weight 0.10000E+01 volume 0.26152E-02 ppm1 8.455 ppm2 1.318 CV 1 OR { 641} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HB2 )) ASSI { 642} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HG2 )) 3.600 1.800 2.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.29213E-02 ppm1 8.457 ppm2 2.037 CV 1 OR { 642} (( segid " " and resid 46 and name HN )) (( segid " " and resid 43 and name HG1 )) ASSI { 645} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HB )) 4.500 2.700 1.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.50358E-03 ppm1 8.454 ppm2 4.165 CV 1 OR { 645} (( segid " " and resid 46 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 648} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HE22)) 4.500 2.700 1.500 peak 648 spectrum 1 weight 0.10000E+01 volume 0.91950E-03 ppm1 8.453 ppm2 6.849 CV 1 OR { 648} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name HZ2 )) ASSI { 649} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HN )) 3.100 1.300 1.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.90003E-03 ppm1 8.455 ppm2 7.187 CV 1 OR { 649} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HE21)) ASSI { 2718} (( segid " " and resid 46 and name HA )) (( segid " " and resid 49 and name HA )) 3.200 1.400 2.800 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.53001E-02 ppm1 2.996 ppm2 3.990 CV 1 OR { 2718} (( segid " " and resid 46 and name HA )) (( segid " " and resid 70 and name HA )) ASSI { 2719} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG1 )) 3.000 1.200 1.800 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.20866E-02 ppm1 2.997 ppm2 1.923 CV 1 OR { 2719} (( segid " " and resid 46 and name HA )) (( segid " " and resid 49 and name HB1 )) ASSI { 2723} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) 3.100 1.300 2.000 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.93761E-03 ppm1 2.997 ppm2 8.486 CV 1 OR { 2723} (( segid " " and resid 46 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 2725} (( segid " " and resid 46 and name HA )) (( segid " " and resid 48 and name HN )) 3.600 1.800 2.400 peak 2725 spectrum 1 weight 0.10000E+01 volume 0.67192E-03 ppm1 2.998 ppm2 7.302 CV 1 OR { 2725} (( segid " " and resid 46 and name HA )) (( segid " " and resid 42 and name HD1 )) OR { 2725} (( segid " " and resid 46 and name HA )) (( segid " " and resid 44 and name HN )) ASSI { 2727} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 43 and name HA )) 3.100 1.300 1.900 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.81377E-03 ppm1 0.467 ppm2 2.873 CV 1 OR { 2727} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 42 and name HB1 )) ASSI { 2732} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 66 and name HD1%) 4.500 2.700 1.500 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.59675E-03 ppm1 0.473 ppm2 1.048 CV 1 OR { 2732} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 50 and name HG12)) OR { 2732} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 50 and name HG2%) ASSI { 2733} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 50 and name HD1%) 4.800 3.000 1.200 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.24344E-03 ppm1 0.471 ppm2 0.889 CV 1 OR { 2733} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 49 and name HD1%) ASSI { 2738} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HE22)) 6.000 4.200 0.000 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.18501E-03 ppm1 0.469 ppm2 6.881 CV 1 OR { 2738} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 42 and name HZ2 )) ASSI { 2740} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 43 and name HA )) 3.500 1.700 2.500 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.77901E-03 ppm1 1.288 ppm2 2.879 CV 1 OR { 2740} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 42 and name HB1 )) ASSI { 2741} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG1 )) 3.600 1.800 2.400 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.83188E-03 ppm1 1.293 ppm2 1.894 CV 1 OR { 2741} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 49 and name HB1 )) ASSI { 2746} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HE22)) 4.700 2.900 1.300 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.25735E-03 ppm1 1.292 ppm2 6.862 CV 1 OR { 2746} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 42 and name HZ2 )) ASSI { 2747} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HA )) 3.600 1.800 2.400 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.52027E-03 ppm1 1.910 ppm2 2.981 CV 1 OR { 2747} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 53 and name HE2 )) ASSI { 2749} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 66 and name HD1%) 3.600 1.800 2.400 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.52862E-03 ppm1 1.910 ppm2 1.042 CV 1 OR { 2749} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 50 and name HG12)) OR { 2749} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 50 and name HG2%) ASSI { 2750} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 65 and name HD1%) 4.800 3.000 1.200 peak 2750 spectrum 1 weight 0.10000E+01 volume 0.51610E-03 ppm1 1.914 ppm2 0.934 CV 1 OR { 2750} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 82 and name HG2%) ASSI { 2752} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HN )) 5.400 3.600 0.600 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.16832E-03 ppm1 1.911 ppm2 8.451 CV 1 OR { 2752} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 50 and name HN )) ASSI { 2757} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 50 and name HG2%) 4.800 3.000 1.200 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.16276E-02 ppm1 2.044 ppm2 0.979 CV 1 OR { 2757} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 65 and name HD1%) ASSI { 2759} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HN )) 4.200 2.400 1.800 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.13911E-02 ppm1 2.048 ppm2 8.462 CV 1 OR { 2759} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 50 and name HN )) ASSI { 655} (( segid " " and resid 47 and name HN )) ( segid " " and resid 47 and name HG2%) 4.000 2.200 2.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.12270E-02 ppm1 7.537 ppm2 1.211 CV 1 OR { 655} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HG2 )) ASSI { 656} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HG2 )) 4.000 2.200 2.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.96818E-03 ppm1 7.538 ppm2 2.052 CV 1 OR { 656} (( segid " " and resid 47 and name HN )) (( segid " " and resid 43 and name HG1 )) ASSI { 659} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 3.300 1.500 2.200 peak 659 spectrum 1 weight 0.10000E+01 volume 0.45906E-03 ppm1 7.537 ppm2 3.704 CV 1 OR { 659} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HA )) ASSI { 660} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB )) 3.100 1.300 1.900 peak 660 spectrum 1 weight 0.10000E+01 volume 0.93484E-03 ppm1 7.537 ppm2 4.147 CV 1 OR { 660} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 663} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HN )) 2.700 0.900 1.400 peak 663 spectrum 1 weight 0.10000E+01 volume 0.18641E-02 ppm1 7.537 ppm2 7.335 CV 1 OR { 663} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HN )) ASSI { 665} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HN )) 3.400 1.600 2.400 peak 665 spectrum 1 weight 0.10000E+01 volume 0.47297E-03 ppm1 7.537 ppm2 8.478 CV 1 OR { 665} (( segid " " and resid 47 and name HN )) (( segid " " and resid 50 and name HN )) ASSI { 2762} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB )) 3.100 1.300 2.000 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.96404E-03 ppm1 3.688 ppm2 4.140 CV 1 OR { 2762} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HA )) ASSI { 2764} (( segid " " and resid 47 and name HA )) (( segid " " and resid 51 and name HB1 )) 5.000 3.200 1.000 peak 2764 spectrum 1 weight 0.10000E+01 volume 0.52445E-03 ppm1 3.689 ppm2 2.947 CV 1 OR { 2764} (( segid " " and resid 47 and name HA )) (( segid " " and resid 53 and name HE2 )) OR { 2764} (( segid " " and resid 47 and name HA )) (( segid " " and resid 56 and name HB2 )) ASSI { 2765} (( segid " " and resid 47 and name HA )) ( segid " " and resid 57 and name HE% ) 4.300 2.500 1.700 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.13396E-02 ppm1 3.689 ppm2 2.093 CV 1 OR { 2765} (( segid " " and resid 47 and name HA )) (( segid " " and resid 43 and name HG1 )) OR { 2765} (( segid " " and resid 47 and name HA )) (( segid " " and resid 57 and name HB1 )) ASSI { 2766} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HB )) 2.700 0.900 1.400 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.14467E-02 ppm1 3.688 ppm2 1.869 CV 1 OR { 2766} (( segid " " and resid 47 and name HA )) (( segid " " and resid 46 and name HG1 )) ASSI { 2771} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HN )) 3.500 1.700 2.500 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.65800E-03 ppm1 3.689 ppm2 8.490 CV 1 OR { 2771} (( segid " " and resid 47 and name HA )) (( segid " " and resid 46 and name HN )) ASSI { 2780} (( segid " " and resid 47 and name HB )) (( segid " " and resid 46 and name HG2 )) 4.000 2.200 2.000 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.71783E-03 ppm1 4.151 ppm2 2.060 CV 1 OR { 2780} (( segid " " and resid 47 and name HB )) (( segid " " and resid 43 and name HG1 )) OR { 2780} (( segid " " and resid 47 and name HB )) ( segid " " and resid 57 and name HE% ) ASSI { 2783} (( segid " " and resid 47 and name HB )) (( segid " " and resid 46 and name HN )) 4.700 2.900 1.300 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.35751E-03 ppm1 4.144 ppm2 8.489 CV 1 OR { 2783} (( segid " " and resid 47 and name HB )) (( segid " " and resid 50 and name HN )) ASSI { 2787} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 47 and name HB )) 2.500 0.700 1.300 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.37559E-02 ppm1 1.179 ppm2 4.142 CV 1 OR { 2787} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 48 and name HA )) ASSI { 2789} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 51 and name HB1 )) 5.100 3.300 0.900 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.51053E-03 ppm1 1.180 ppm2 2.905 CV 1 OR { 2789} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 57 and name HG2 )) ASSI { 2791} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 50 and name HB )) 4.000 2.200 2.000 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.37838E-03 ppm1 1.180 ppm2 1.907 CV 1 OR { 2791} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 46 and name HG1 )) ASSI { 668} (( segid " " and resid 48 and name HN )) ( segid " " and resid 49 and name HD1%) 4.800 3.000 1.200 peak 668 spectrum 1 weight 0.10000E+01 volume 0.66354E-03 ppm1 7.321 ppm2 0.918 CV 1 OR { 668} (( segid " " and resid 48 and name HN )) ( segid " " and resid 50 and name HD1%) ASSI { 670} (( segid " " and resid 48 and name HN )) (( segid " " and resid 45 and name HD2 )) 5.000 3.200 1.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.34082E-03 ppm1 7.322 ppm2 1.690 CV 1 OR { 670} (( segid " " and resid 48 and name HN )) (( segid " " and resid 53 and name HB2 )) OR { 670} (( segid " " and resid 48 and name HN )) (( segid " " and resid 53 and name HD1 )) ASSI { 673} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HA )) 4.100 2.300 1.900 peak 673 spectrum 1 weight 0.10000E+01 volume 0.32552E-03 ppm1 7.323 ppm2 2.964 CV 1 OR { 673} (( segid " " and resid 48 and name HN )) (( segid " " and resid 53 and name HE2 )) ASSI { 674} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.700 1.900 2.300 peak 674 spectrum 1 weight 0.10000E+01 volume 0.36447E-03 ppm1 7.321 ppm2 3.715 CV 1 OR { 674} (( segid " " and resid 48 and name HN )) (( segid " " and resid 45 and name HA )) ASSI { 675} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 3.000 1.200 1.800 peak 675 spectrum 1 weight 0.10000E+01 volume 0.12242E-02 ppm1 7.322 ppm2 4.136 CV 1 OR { 675} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB )) ASSI { 679} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HN )) 3.200 1.400 2.100 peak 679 spectrum 1 weight 0.10000E+01 volume 0.56200E-03 ppm1 7.322 ppm2 8.507 CV 1 OR { 679} (( segid " " and resid 48 and name HN )) (( segid " " and resid 50 and name HN )) ASSI { 2801} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HN )) 2.600 0.800 1.300 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.36864E-02 ppm1 4.146 ppm2 8.522 CV 1 OR { 2801} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HN )) ASSI { 2809} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HA )) 2.800 1.000 1.600 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.30604E-02 ppm1 2.335 ppm2 4.145 CV 1 OR { 2809} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 47 and name HB )) ASSI { 2813} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 45 and name HD2 )) 4.400 2.600 1.600 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.43263E-03 ppm1 2.335 ppm2 1.675 CV 1 OR { 2813} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 53 and name HD1 )) ASSI { 2815} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 71 and name HG2%) 3.600 1.800 2.400 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.21145E-02 ppm1 2.333 ppm2 1.172 CV 1 OR { 2815} (( segid " " and resid 48 and name HB1 )) ( segid " " and resid 47 and name HG2%) OR { 2815} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 82 and name HG12)) ASSI { 2816} (( segid " " and resid 48 and name HB1 )) ( segid " " and resid 49 and name HD1%) 4.000 2.200 2.000 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.13535E-02 ppm1 2.336 ppm2 0.904 CV 1 OR { 2816} (( segid " " and resid 48 and name HB1 )) ( segid " " and resid 50 and name HD1%) ASSI { 2819} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HA )) 2.900 1.100 1.700 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.94735E-03 ppm1 2.547 ppm2 4.151 CV 1 OR { 2819} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 47 and name HB )) ASSI { 2825} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 45 and name HD2 )) 4.900 3.100 1.100 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.66773E-03 ppm1 2.547 ppm2 1.667 CV 1 OR { 2825} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 53 and name HD1 )) ASSI { 2829} (( segid " " and resid 48 and name HB2 )) ( segid " " and resid 49 and name HD1%) 4.700 2.900 1.300 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.11003E-02 ppm1 2.543 ppm2 0.917 CV 1 OR { 2829} (( segid " " and resid 48 and name HB2 )) ( segid " " and resid 50 and name HD1%) ASSI { 2830} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 68 and name HA )) 2.900 1.100 1.600 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.22535E-02 ppm1 2.529 ppm2 4.146 CV 1 OR { 2830} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 48 and name HA )) OR { 2830} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 69 and name HA )) ASSI { 2831} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 80 and name HB )) 4.300 2.500 1.700 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.86805E-03 ppm1 2.523 ppm2 2.027 CV 1 OR { 2831} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 52 and name HB1 )) OR { 2831} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 65 and name HB2 )) ASSI { 2834} (( segid " " and resid 68 and name HG1 )) ( segid " " and resid 65 and name HD1%) 3.900 2.100 2.100 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.14745E-02 ppm1 2.526 ppm2 1.003 CV 1 OR { 2834} (( segid " " and resid 68 and name HG1 )) ( segid " " and resid 65 and name HD2%) OR { 2834} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 50 and name HG12)) OR { 2834} (( segid " " and resid 48 and name HG1 )) ( segid " " and resid 50 and name HG2%) ASSI { 2835} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 69 and name HN )) 4.000 2.200 2.000 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.84020E-03 ppm1 2.517 ppm2 8.338 CV 1 OR { 2835} (( segid " " and resid 48 and name HG1 )) (( segid " " and resid 53 and name HN )) ASSI { 2838} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HA )) 2.800 1.000 1.500 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.19754E-02 ppm1 2.629 ppm2 4.127 CV 1 OR { 2838} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 48 and name HA )) OR { 2838} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 80 and name HA )) OR { 2838} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 47 and name HB )) ASSI { 2839} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 78 and name HE1 )) 4.600 2.800 1.400 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.49801E-03 ppm1 2.644 ppm2 3.048 CV 1 OR { 2839} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 81 and name HB1 )) OR { 2839} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 53 and name HE1 )) ASSI { 2841} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HB2 )) 2.500 0.700 1.300 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.44654E-02 ppm1 2.629 ppm2 2.285 CV 1 OR { 2841} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 52 and name HG2 )) OR { 2841} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 67 and name HG2 )) ASSI { 2842} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 80 and name HB )) 2.800 1.000 1.600 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.17806E-02 ppm1 2.631 ppm2 1.997 CV 1 OR { 2842} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 65 and name HB2 )) ASSI { 2845} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 82 and name HG11)) 4.400 2.600 1.600 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.10461E-02 ppm1 2.625 ppm2 1.457 CV 1 OR { 2845} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 78 and name HG1 )) OR { 2845} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 53 and name HG1 )) ASSI { 2846} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 82 and name HG12)) 4.300 2.500 1.700 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.62879E-03 ppm1 2.632 ppm2 1.149 CV 1 OR { 2846} (( segid " " and resid 68 and name HG2 )) ( segid " " and resid 71 and name HG2%) OR { 2846} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 49 and name HB2 )) OR { 2846} (( segid " " and resid 48 and name HG2 )) ( segid " " and resid 47 and name HG2%) ASSI { 2847} (( segid " " and resid 68 and name HG2 )) ( segid " " and resid 82 and name HG2%) 3.700 1.900 2.300 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.29491E-02 ppm1 2.628 ppm2 0.960 CV 1 OR { 2847} (( segid " " and resid 68 and name HG2 )) ( segid " " and resid 65 and name HD1%) ASSI { 2850} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 69 and name HN )) 4.200 2.400 1.800 peak 2850 spectrum 1 weight 0.10000E+01 volume 0.93620E-03 ppm1 2.630 ppm2 8.330 CV 1 OR { 2850} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 66 and name HN )) OR { 2850} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 53 and name HN )) ASSI { 2853} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HE22)) 4.400 2.600 1.600 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.37142E-03 ppm1 2.632 ppm2 7.059 CV 1 OR { 2853} (( segid " " and resid 48 and name HG2 )) (( segid " " and resid 51 and name HD22)) OR { 2853} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 81 and name HD2 )) ASSI { 681} (( segid " " and resid 49 and name HN )) ( segid " " and resid 49 and name HD1%) 3.700 1.900 2.300 peak 681 spectrum 1 weight 0.10000E+01 volume 0.21284E-02 ppm1 8.540 ppm2 0.914 CV 1 OR { 681} (( segid " " and resid 49 and name HN )) ( segid " " and resid 50 and name HD1%) ASSI { 682} (( segid " " and resid 49 and name HN )) (( segid " " and resid 45 and name HD2 )) 3.200 1.400 2.100 peak 682 spectrum 1 weight 0.10000E+01 volume 0.45211E-02 ppm1 8.535 ppm2 1.710 CV 1 OR { 682} (( segid " " and resid 49 and name HN )) (( segid " " and resid 53 and name HB2 )) OR { 682} (( segid " " and resid 49 and name HN )) (( segid " " and resid 55 and name HB1 )) ASSI { 683} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HG2 )) 3.300 1.500 2.200 peak 683 spectrum 1 weight 0.10000E+01 volume 0.59817E-02 ppm1 8.527 ppm2 2.063 CV 1 OR { 683} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HB1 )) OR { 683} (( segid " " and resid 49 and name HN )) ( segid " " and resid 57 and name HE% ) ASSI { 685} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 3.100 1.300 1.900 peak 685 spectrum 1 weight 0.10000E+01 volume 0.13911E-02 ppm1 8.536 ppm2 3.013 CV 1 OR { 685} (( segid " " and resid 49 and name HN )) (( segid " " and resid 53 and name HE1 )) ASSI { 686} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA )) 4.700 2.900 1.300 peak 686 spectrum 1 weight 0.10000E+01 volume 0.17389E-03 ppm1 8.532 ppm2 3.722 CV 1 OR { 686} (( segid " " and resid 49 and name HN )) (( segid " " and resid 45 and name HA )) ASSI { 2859} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HD1 )) 3.300 1.500 2.100 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.35056E-02 ppm1 3.999 ppm2 1.702 CV 1 OR { 2859} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HB2 )) OR { 2859} (( segid " " and resid 49 and name HA )) (( segid " " and resid 45 and name HD2 )) OR { 2859} (( segid " " and resid 49 and name HA )) (( segid " " and resid 55 and name HB1 )) ASSI { 2864} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HN )) 2.800 1.000 1.500 peak 2864 spectrum 1 weight 0.10000E+01 volume 0.15024E-02 ppm1 4.004 ppm2 8.536 CV 1 OR { 2864} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HN )) ASSI { 2865} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HN )) 2.600 0.800 1.300 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.32273E-02 ppm1 4.000 ppm2 8.308 CV 1 OR { 2865} (( segid " " and resid 70 and name HA )) (( segid " " and resid 73 and name HN )) ASSI { 2869} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 53 and name HE2 )) 1.900 0.100 0.700 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.19058E-02 ppm1 1.926 ppm2 2.985 CV 1 OR { 2869} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 46 and name HA )) ASSI { 2871} (( segid " " and resid 49 and name HB1 )) ( segid " " and resid 49 and name HD1%) 2.100 0.300 3.900 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.75399E-02 ppm1 1.924 ppm2 0.892 CV 1 OR { 2871} (( segid " " and resid 49 and name HB1 )) ( segid " " and resid 50 and name HD1%) ASSI { 2872} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 49 and name HN )) 2.700 0.900 1.500 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.46741E-02 ppm1 1.920 ppm2 8.515 CV 1 OR { 2872} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 50 and name HN )) ASSI { 2874} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 46 and name HA )) 3.000 1.200 1.800 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.12381E-02 ppm1 1.120 ppm2 2.971 CV 1 OR { 2874} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 53 and name HE2 )) ASSI { 2875} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 52 and name HB2 )) 4.500 2.700 1.500 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.51610E-03 ppm1 1.123 ppm2 2.204 CV 1 OR { 2875} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 70 and name HG1 )) ASSI { 2877} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 45 and name HD2 )) 4.300 2.500 1.700 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.99602E-03 ppm1 1.125 ppm2 1.681 CV 1 OR { 2877} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 53 and name HD1 )) OR { 2877} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 53 and name HB2 )) ASSI { 2880} (( segid " " and resid 49 and name HB2 )) ( segid " " and resid 49 and name HD1%) 3.500 1.700 2.500 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.19336E-02 ppm1 1.122 ppm2 0.913 CV 1 OR { 2880} (( segid " " and resid 49 and name HB2 )) ( segid " " and resid 50 and name HD1%) ASSI { 2883} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 46 and name HA )) 3.100 1.300 1.900 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.20310E-02 ppm1 0.882 ppm2 2.977 CV 1 OR { 2883} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 53 and name HE2 )) ASSI { 2885} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 48 and name HB1 )) 3.400 1.600 2.300 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.31021E-02 ppm1 0.886 ppm2 2.326 CV 1 OR { 2885} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 69 and name HB1 )) OR { 2885} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 69 and name HG1 )) OR { 2885} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 83 and name HG2 )) ASSI { 2886} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 49 and name HB1 )) 2.400 0.600 1.100 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.38673E-02 ppm1 0.886 ppm2 1.926 CV 1 OR { 2886} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 53 and name HB1 )) ASSI { 2887} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 45 and name HD2 )) 2.300 0.500 1.100 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.81660E-02 ppm1 0.881 ppm2 1.678 CV 1 OR { 2887} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 53 and name HD1 )) OR { 2887} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 53 and name HB2 )) ASSI { 2889} ( segid " " and resid 49 and name HD1%) (( segid " " and resid 49 and name HB2 )) 2.000 0.200 0.800 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.53835E-01 ppm1 0.887 ppm2 1.071 CV 1 OR { 2889} ( segid " " and resid 49 and name HD1%) ( segid " " and resid 65 and name HD2%) ASSI { 693} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HB1 )) 2.700 0.900 1.500 peak 693 spectrum 1 weight 0.10000E+01 volume 0.48549E-02 ppm1 8.485 ppm2 1.915 CV 1 OR { 693} (( segid " " and resid 50 and name HN )) (( segid " " and resid 46 and name HG1 )) OR { 693} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HB1 )) ASSI { 694} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HE2 )) 4.100 2.300 1.900 peak 694 spectrum 1 weight 0.10000E+01 volume 0.83607E-03 ppm1 8.485 ppm2 2.930 CV 1 OR { 694} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HB1 )) OR { 694} (( segid " " and resid 50 and name HN )) (( segid " " and resid 57 and name HG2 )) ASSI { 2916} (( segid " " and resid 50 and name HA )) (( segid " " and resid 54 and name HA )) 5.200 3.400 0.800 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.21701E-03 ppm1 3.405 ppm2 4.133 CV 1 OR { 2916} (( segid " " and resid 50 and name HA )) (( segid " " and resid 48 and name HA )) OR { 2916} (( segid " " and resid 50 and name HA )) (( segid " " and resid 47 and name HB )) OR { 2916} (( segid " " and resid 50 and name HA )) (( segid " " and resid 66 and name HA )) ASSI { 2921} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB )) 3.200 1.400 2.100 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 3.393 ppm2 1.898 CV 1 OR { 2921} (( segid " " and resid 50 and name HA )) (( segid " " and resid 49 and name HB1 )) OR { 2921} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB1 )) ASSI { 2929} (( segid " " and resid 50 and name HB )) (( segid " " and resid 48 and name HA )) 3.900 2.100 2.100 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.57592E-03 ppm1 1.869 ppm2 4.188 CV 1 OR { 2929} (( segid " " and resid 50 and name HB )) (( segid " " and resid 63 and name HA )) ASSI { 2942} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 66 and name HN )) 4.600 2.800 1.400 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.77347E-03 ppm1 0.877 ppm2 8.302 CV 1 OR { 2942} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 53 and name HN )) OR { 2942} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 67 and name HN )) ASSI { 2948} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 83 and name HA )) 4.100 2.300 1.900 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.12812E-02 ppm1 1.034 ppm2 4.596 CV 1 OR { 2948} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 62 and name HA )) OR { 2948} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 51 and name HA )) ASSI { 2949} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 65 and name HA )) 2.900 1.100 1.700 peak 2949 spectrum 1 weight 0.10000E+01 volume 0.24344E-02 ppm1 1.035 ppm2 4.308 CV 1 OR { 2949} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 53 and name HA )) ASSI { 2951} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HA )) 3.000 1.200 1.700 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.34499E-02 ppm1 1.037 ppm2 4.125 CV 1 OR { 2951} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 47 and name HB )) OR { 2951} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 66 and name HA )) OR { 2951} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 54 and name HA )) OR { 2951} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 69 and name HA )) OR { 2951} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 68 and name HA )) ASSI { 2954} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 53 and name HE2 )) 3.200 1.400 2.000 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.19197E-02 ppm1 1.039 ppm2 2.984 CV 1 OR { 2954} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 53 and name HE2 )) ASSI { 2955} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 69 and name HG2 )) 4.100 2.300 1.900 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.66354E-03 ppm1 1.036 ppm2 2.602 CV 1 OR { 2955} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 68 and name HG2 )) ASSI { 2957} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HG )) 2.000 0.200 0.800 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.11170E-01 ppm1 1.035 ppm2 1.970 CV 1 OR { 2957} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 65 and name HB1 )) OR { 2957} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HB1 )) OR { 2957} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 66 and name HB1 )) ASSI { 2961} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 67 and name HN )) 3.400 1.600 2.300 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.24205E-02 ppm1 1.033 ppm2 8.310 CV 1 OR { 2961} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HN )) OR { 2961} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 66 and name HN )) OR { 2961} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 53 and name HN )) OR { 2961} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 67 and name HN )) OR { 2961} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 82 and name HN )) ASSI { 2962} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 65 and name HN )) 4.200 2.400 1.800 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.12909E-02 ppm1 1.033 ppm2 7.846 CV 1 OR { 2962} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 55 and name HN )) OR { 2962} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 65 and name HN )) ASSI { 2963} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 68 and name HN )) 4.200 2.400 1.800 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.62183E-03 ppm1 1.032 ppm2 8.053 CV 1 OR { 2963} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 71 and name HN )) OR { 2963} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 68 and name HN )) OR { 2963} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 71 and name HN )) ASSI { 2965} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 48 and name HN )) 3.700 1.900 2.300 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.17528E-02 ppm1 1.034 ppm2 7.301 CV 1 OR { 2965} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 42 and name HD1 )) OR { 2965} ( segid " " and resid 65 and name HD2%) ( segid " " and resid 73 and name HE% ) OR { 2965} ( segid " " and resid 66 and name HD1%) ( segid " " and resid 73 and name HE% ) OR { 2965} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 59 and name HD21)) ASSI { 2966} (( segid " " and resid 50 and name HG12)) (( segid " " and resid 46 and name HE22)) 3.500 1.700 2.400 peak 2966 spectrum 1 weight 0.10000E+01 volume 0.15859E-02 ppm1 1.034 ppm2 6.841 CV 1 OR { 2966} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 42 and name HZ2 )) OR { 2966} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 46 and name HE22)) OR { 2966} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 46 and name HE22)) OR { 2966} ( segid " " and resid 65 and name HD2%) (( segid " " and resid 42 and name HZ2 )) ASSI { 2971} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 54 and name HA )) 4.300 2.500 1.700 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.46184E-03 ppm1 1.004 ppm2 4.122 CV 1 OR { 2971} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 47 and name HB )) OR { 2971} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 48 and name HA )) OR { 2971} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 66 and name HA )) ASSI { 2974} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 57 and name HG2 )) 4.200 2.400 1.800 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.35473E-03 ppm1 1.006 ppm2 2.912 CV 1 OR { 2974} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 51 and name HB1 )) OR { 2974} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 53 and name HE2 )) OR { 2974} ( segid " " and resid 50 and name HG2%) (( segid " " and resid 62 and name HB2 )) ASSI { 705} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB )) 3.000 1.200 1.800 peak 705 spectrum 1 weight 0.10000E+01 volume 0.93620E-03 ppm1 7.722 ppm2 1.884 CV 1 OR { 705} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HB1 )) OR { 705} (( segid " " and resid 51 and name HN )) (( segid " " and resid 53 and name HB1 )) ASSI { 708} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB1 )) 4.000 2.200 2.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.11101E-02 ppm1 7.722 ppm2 2.914 CV 1 OR { 708} (( segid " " and resid 51 and name HN )) (( segid " " and resid 53 and name HE2 )) ASSI { 711} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HA )) 4.600 2.800 1.400 peak 711 spectrum 1 weight 0.10000E+01 volume 0.46045E-03 ppm1 7.722 ppm2 4.110 CV 1 OR { 711} (( segid " " and resid 51 and name HN )) (( segid " " and resid 54 and name HA )) OR { 711} (( segid " " and resid 51 and name HN )) (( segid " " and resid 47 and name HB )) ASSI { 2984} (( segid " " and resid 51 and name HA )) (( segid " " and resid 54 and name HA )) 3.000 1.200 1.700 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.18919E-02 ppm1 4.594 ppm2 4.101 CV 1 OR { 2984} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HA )) ASSI { 2987} (( segid " " and resid 51 and name HA )) (( segid " " and resid 50 and name HB )) 3.000 1.200 1.800 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.31717E-02 ppm1 4.595 ppm2 1.847 CV 1 OR { 2987} (( segid " " and resid 51 and name HA )) (( segid " " and resid 54 and name HB1 )) ASSI { 2988} (( segid " " and resid 51 and name HA )) (( segid " " and resid 53 and name HB2 )) 4.100 2.300 1.900 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.91118E-03 ppm1 4.597 ppm2 1.706 CV 1 OR { 2988} (( segid " " and resid 51 and name HA )) (( segid " " and resid 55 and name HB1 )) OR { 2988} (( segid " " and resid 51 and name HA )) (( segid " " and resid 53 and name HD1 )) ASSI { 2989} (( segid " " and resid 51 and name HA )) (( segid " " and resid 54 and name HG1 )) 3.400 1.600 2.300 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.13563E-02 ppm1 4.595 ppm2 1.447 CV 1 OR { 2989} (( segid " " and resid 51 and name HA )) (( segid " " and resid 53 and name HG1 )) ASSI { 2996} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 48 and name HA )) 4.100 2.300 1.900 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.13591E-02 ppm1 2.927 ppm2 4.125 CV 1 OR { 2996} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 54 and name HA )) OR { 2996} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 47 and name HB )) ASSI { 721} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 3.800 2.000 2.200 peak 721 spectrum 1 weight 0.10000E+01 volume 0.96127E-03 ppm1 8.952 ppm2 2.915 CV 1 OR { 721} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HE2 )) ASSI { 723} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 3.100 1.300 2.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.11852E-02 ppm1 8.952 ppm2 4.085 CV 1 OR { 723} (( segid " " and resid 52 and name HN )) (( segid " " and resid 54 and name HA )) ASSI { 725} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HD22)) 2.800 1.000 3.200 peak 725 spectrum 1 weight 0.10000E+01 volume 0.10628E-03 ppm1 8.953 ppm2 7.062 CV 1 OR { 725} (( segid " " and resid 52 and name HN )) (( segid " " and resid 68 and name HE22)) ASSI { 736} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 3.600 1.800 2.400 peak 736 spectrum 1 weight 0.10000E+01 volume 0.10809E-02 ppm1 8.317 ppm2 4.093 CV 1 OR { 736} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HA )) ASSI { 3029} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB1 )) 2.400 0.600 1.100 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.31856E-02 ppm1 4.350 ppm2 1.923 CV 1 OR { 3029} (( segid " " and resid 53 and name HA )) (( segid " " and resid 49 and name HB1 )) ASSI { 3038} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 65 and name HD2%) 3.900 2.100 2.100 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.60094E-02 ppm1 1.937 ppm2 1.030 CV 1 OR { 3038} (( segid " " and resid 53 and name HB1 )) ( segid " " and resid 50 and name HG2%) OR { 3038} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 50 and name HG12)) ASSI { 3044} (( segid " " and resid 53 and name HD1 )) ( segid " " and resid 65 and name HD1%) 2.900 1.100 1.700 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.59675E-02 ppm1 1.659 ppm2 0.950 CV 1 OR { 3044} (( segid " " and resid 53 and name HD1 )) ( segid " " and resid 82 and name HG2%) ASSI { 3057} (( segid " " and resid 53 and name HE2 )) (( segid " " and resid 49 and name HB1 )) 4.000 2.200 2.000 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.31021E-04 ppm1 2.942 ppm2 1.906 CV 1 OR { 3057} (( segid " " and resid 53 and name HE2 )) (( segid " " and resid 53 and name HB1 )) OR { 3057} (( segid " " and resid 53 and name HE2 )) (( segid " " and resid 50 and name HB )) OR { 3057} (( segid " " and resid 53 and name HE2 )) (( segid " " and resid 65 and name HG )) ASSI { 3061} (( segid " " and resid 53 and name HE2 )) ( segid " " and resid 49 and name HD1%) 3.000 1.200 1.800 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.22675E-02 ppm1 2.940 ppm2 0.872 CV 1 OR { 3061} (( segid " " and resid 53 and name HE2 )) ( segid " " and resid 50 and name HD1%) ASSI { 3070} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HB1 )) 1.900 0.100 4.100 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.19058E-01 ppm1 1.475 ppm2 1.910 CV 1 OR { 3070} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 49 and name HB1 )) ASSI { 744} (( segid " " and resid 54 and name HN )) ( segid " " and resid 50 and name HG2%) 3.900 2.100 2.100 peak 744 spectrum 1 weight 0.10000E+01 volume 0.79990E-03 ppm1 7.515 ppm2 0.985 CV 1 OR { 744} (( segid " " and resid 54 and name HN )) ( segid " " and resid 65 and name HD1%) ASSI { 745} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HG1 )) 3.900 2.100 2.100 peak 745 spectrum 1 weight 0.10000E+01 volume 0.13452E-02 ppm1 7.515 ppm2 1.444 CV 1 OR { 745} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG1 )) ASSI { 750} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 2.800 1.000 1.500 peak 750 spectrum 1 weight 0.10000E+01 volume 0.14050E-02 ppm1 7.515 ppm2 4.115 CV 1 OR { 750} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HA )) ASSI { 3091} (( segid " " and resid 78 and name HG2 )) (( segid " " and resid 78 and name HA )) 3.500 1.700 2.500 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.17806E-02 ppm1 1.403 ppm2 4.404 CV 1 OR { 3091} (( segid " " and resid 54 and name HG1 )) (( segid " " and resid 55 and name HA )) ASSI { 3092} (( segid " " and resid 54 and name HG1 )) (( segid " " and resid 54 and name HA )) 2.400 0.600 1.200 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.24900E-02 ppm1 1.415 ppm2 4.112 CV 1 OR { 3092} (( segid " " and resid 78 and name HG2 )) (( segid " " and resid 68 and name HA )) ASSI { 3093} (( segid " " and resid 54 and name HG1 )) (( segid " " and resid 54 and name HE1 )) 2.400 0.600 1.200 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.25318E-02 ppm1 1.406 ppm2 3.064 CV 1 OR { 3093} (( segid " " and resid 78 and name HG2 )) (( segid " " and resid 78 and name HE1 )) ASSI { 3097} (( segid " " and resid 78 and name HG2 )) (( segid " " and resid 73 and name HN )) 4.200 2.400 1.800 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.64130E-03 ppm1 1.423 ppm2 8.335 CV 1 OR { 3097} (( segid " " and resid 54 and name HG1 )) (( segid " " and resid 53 and name HN )) OR { 3097} (( segid " " and resid 78 and name HG2 )) (( segid " " and resid 69 and name HN )) ASSI { 759} (( segid " " and resid 55 and name HN )) ( segid " " and resid 50 and name HG2%) 3.600 1.800 2.400 peak 759 spectrum 1 weight 0.10000E+01 volume 0.17110E-02 ppm1 7.830 ppm2 0.996 CV 1 OR { 759} (( segid " " and resid 55 and name HN )) ( segid " " and resid 65 and name HD2%) OR { 759} (( segid " " and resid 55 and name HN )) ( segid " " and resid 65 and name HD1%) ASSI { 3103} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HB1 )) 4.400 2.600 1.600 peak 3103 spectrum 1 weight 0.10000E+01 volume 0.60236E-03 ppm1 4.438 ppm2 3.268 CV 1 OR { 3103} (( segid " " and resid 55 and name HA )) (( segid " " and resid 59 and name HB1 )) ASSI { 3104} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HB2 )) 5.900 4.100 0.100 peak 3104 spectrum 1 weight 0.10000E+01 volume 0.24762E-03 ppm1 4.439 ppm2 2.929 CV 1 OR { 3104} (( segid " " and resid 55 and name HA )) (( segid " " and resid 62 and name HB2 )) OR { 3104} (( segid " " and resid 55 and name HA )) (( segid " " and resid 53 and name HE2 )) ASSI { 3105} (( segid " " and resid 55 and name HA )) ( segid " " and resid 57 and name HE% ) 3.900 2.100 2.100 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.12840E-02 ppm1 4.449 ppm2 2.042 CV 1 OR { 3105} (( segid " " and resid 55 and name HA )) (( segid " " and resid 65 and name HB2 )) ASSI { 3106} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 2.600 0.800 1.400 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.20727E-02 ppm1 4.440 ppm2 1.697 CV 1 OR { 3106} (( segid " " and resid 55 and name HA )) (( segid " " and resid 53 and name HB2 )) ASSI { 3108} (( segid " " and resid 55 and name HA )) ( segid " " and resid 50 and name HG2%) 4.300 2.500 1.700 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.67328E-03 ppm1 4.440 ppm2 0.990 CV 1 OR { 3108} (( segid " " and resid 55 and name HA )) ( segid " " and resid 65 and name HD1%) OR { 3108} (( segid " " and resid 55 and name HA )) ( segid " " and resid 66 and name HD1%) ASSI { 3114} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 3.000 1.200 1.800 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.71783E-03 ppm1 4.439 ppm2 7.847 CV 1 OR { 3114} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HD21)) OR { 3114} (( segid " " and resid 55 and name HA )) (( segid " " and resid 62 and name HN )) ASSI { 3119} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 62 and name HB2 )) 3.400 1.600 2.400 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.19754E-02 ppm1 1.181 ppm2 2.929 CV 1 OR { 3119} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 56 and name HB2 )) OR { 3119} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 53 and name HE2 )) OR { 3119} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 57 and name HG2 )) ASSI { 3127} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HN )) 4.300 2.500 1.700 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.33525E-03 ppm1 1.181 ppm2 7.834 CV 1 OR { 3127} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 62 and name HN )) OR { 3127} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 56 and name HD21)) ASSI { 3129} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 62 and name HA )) 1.800 0.000 4.200 peak 3129 spectrum 1 weight 0.10000E+01 volume 0.99880E-03 ppm1 0.162 ppm2 4.618 CV 1 OR { 3129} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 51 and name HA )) ASSI { 3131} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 62 and name HB1 )) 2.200 0.400 1.000 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.33665E-03 ppm1 0.164 ppm2 4.067 CV 1 OR { 3131} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 52 and name HA )) ASSI { 3134} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 53 and name HB1 )) 3.100 1.300 2.000 peak 3134 spectrum 1 weight 0.10000E+01 volume 0.11003E-02 ppm1 0.163 ppm2 1.941 CV 1 OR { 3134} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 49 and name HB1 )) ASSI { 3135} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 55 and name HB1 )) 1.800 0.000 4.200 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.20727E-02 ppm1 0.164 ppm2 1.695 CV 1 OR { 3135} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 53 and name HB2 )) OR { 3135} ( segid " " and resid 55 and name HD2%) (( segid " " and resid 53 and name HD1 )) ASSI { 3149} (( segid " " and resid 55 and name HG )) (( segid " " and resid 53 and name HE2 )) 5.000 3.200 1.000 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.41315E-03 ppm1 0.729 ppm2 2.918 CV 1 OR { 3149} (( segid " " and resid 55 and name HG )) (( segid " " and resid 62 and name HB2 )) OR { 3149} (( segid " " and resid 55 and name HG )) (( segid " " and resid 57 and name HG2 )) ASSI { 3150} (( segid " " and resid 55 and name HG )) (( segid " " and resid 53 and name HB1 )) 4.100 2.300 1.900 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.22814E-02 ppm1 0.728 ppm2 1.956 CV 1 OR { 3150} (( segid " " and resid 55 and name HG )) (( segid " " and resid 49 and name HB1 )) OR { 3150} (( segid " " and resid 55 and name HG )) (( segid " " and resid 65 and name HB1 )) ASSI { 3151} (( segid " " and resid 55 and name HG )) (( segid " " and resid 55 and name HB1 )) 2.800 1.000 1.500 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.35056E-02 ppm1 0.728 ppm2 1.697 CV 1 OR { 3151} (( segid " " and resid 55 and name HG )) (( segid " " and resid 53 and name HB2 )) OR { 3151} (( segid " " and resid 55 and name HG )) (( segid " " and resid 53 and name HD1 )) ASSI { 3153} (( segid " " and resid 55 and name HG )) ( segid " " and resid 50 and name HG2%) 2.100 0.300 0.900 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.90280E-02 ppm1 0.727 ppm2 1.036 CV 1 OR { 3153} (( segid " " and resid 55 and name HG )) (( segid " " and resid 50 and name HG12)) OR { 3153} (( segid " " and resid 55 and name HG )) ( segid " " and resid 65 and name HD2%) ASSI { 3159} (( segid " " and resid 55 and name HG )) (( segid " " and resid 50 and name HN )) 4.900 3.100 1.100 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.41038E-03 ppm1 0.726 ppm2 8.510 CV 1 OR { 3159} (( segid " " and resid 55 and name HG )) (( segid " " and resid 61 and name HN )) ASSI { 3160} (( segid " " and resid 55 and name HG )) (( segid " " and resid 53 and name HN )) 5.100 3.300 0.900 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.44793E-03 ppm1 0.728 ppm2 8.316 CV 1 OR { 3160} (( segid " " and resid 55 and name HG )) (( segid " " and resid 66 and name HN )) ASSI { 3161} (( segid " " and resid 55 and name HG )) (( segid " " and resid 55 and name HN )) 3.600 1.800 2.400 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.34777E-03 ppm1 0.728 ppm2 7.832 CV 1 OR { 3161} (( segid " " and resid 55 and name HG )) (( segid " " and resid 62 and name HN )) ASSI { 776} (( segid " " and resid 56 and name HN )) ( segid " " and resid 57 and name HE% ) 4.500 2.700 1.500 peak 776 spectrum 1 weight 0.10000E+01 volume 0.22397E-03 ppm1 12.186 ppm2 2.052 CV 1 OR { 776} (( segid " " and resid 56 and name HN )) (( segid " " and resid 65 and name HB2 )) ASSI { 778} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.800 2.000 2.200 peak 778 spectrum 1 weight 0.10000E+01 volume 0.47993E-03 ppm1 12.186 ppm2 2.952 CV 1 OR { 778} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HE2 )) ASSI { 779} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB1 )) 3.600 1.800 2.400 peak 779 spectrum 1 weight 0.10000E+01 volume 0.49106E-03 ppm1 12.186 ppm2 3.251 CV 1 OR { 779} (( segid " " and resid 56 and name HN )) (( segid " " and resid 59 and name HB1 )) ASSI { 784} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HD21)) 4.200 2.400 1.800 peak 784 spectrum 1 weight 0.10000E+01 volume 0.35473E-03 ppm1 12.186 ppm2 7.865 CV 1 OR { 784} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HN )) OR { 784} (( segid " " and resid 56 and name HN )) (( segid " " and resid 62 and name HN )) ASSI { 786} (( segid " " and resid 56 and name HN )) (( segid " " and resid 58 and name HN )) 6.000 4.200 0.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.73311E-04 ppm1 12.187 ppm2 8.422 CV 1 OR { 786} (( segid " " and resid 56 and name HN )) (( segid " " and resid 60 and name HN )) ASSI { 3167} (( segid " " and resid 56 and name HA )) (( segid " " and resid 58 and name HB2 )) 6.000 4.200 0.000 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.42428E-04 ppm1 4.931 ppm2 2.145 CV 1 OR { 3167} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HB1 )) ASSI { 793} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB1 )) 5.100 3.300 0.900 peak 793 spectrum 1 weight 0.10000E+01 volume 0.32134E-03 ppm1 9.118 ppm2 3.254 CV 1 OR { 793} (( segid " " and resid 57 and name HN )) (( segid " " and resid 59 and name HB1 )) ASSI { 794} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 3.500 1.700 2.400 peak 794 spectrum 1 weight 0.10000E+01 volume 0.49245E-03 ppm1 9.116 ppm2 4.510 CV 1 OR { 794} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HA )) ASSI { 796} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HD21)) 5.500 3.700 0.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.10990E-03 ppm1 9.116 ppm2 7.882 CV 1 OR { 796} (( segid " " and resid 57 and name HN )) (( segid " " and resid 62 and name HN )) ASSI { 3172} (( segid " " and resid 57 and name HA )) ( segid " " and resid 50 and name HG2%) 4.500 2.700 1.500 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.10823E-02 ppm1 4.502 ppm2 1.015 CV 1 OR { 3172} (( segid " " and resid 57 and name HA )) ( segid " " and resid 66 and name HD1%) OR { 3172} (( segid " " and resid 57 and name HA )) (( segid " " and resid 50 and name HG12)) ASSI { 3174} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HB1 )) 1.800 0.000 4.200 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.15302E-01 ppm1 4.505 ppm2 2.135 CV 1 OR { 3174} (( segid " " and resid 57 and name HA )) (( segid " " and resid 58 and name HB2 )) OR { 3174} (( segid " " and resid 57 and name HA )) (( segid " " and resid 63 and name HB1 )) ASSI { 3176} (( segid " " and resid 57 and name HA )) (( segid " " and resid 62 and name HB2 )) 2.600 0.800 1.300 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.44932E-02 ppm1 4.507 ppm2 2.888 CV 1 OR { 3176} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HG2 )) ASSI { 3181} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HN )) 3.300 1.500 2.200 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.29631E-02 ppm1 2.116 ppm2 9.123 CV 1 OR { 3181} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 57 and name HN )) ASSI { 3182} (( segid " " and resid 58 and name HB1 )) (( segid " " and resid 58 and name HA )) 3.000 1.200 1.900 peak 3182 spectrum 1 weight 0.10000E+01 volume 0.21979E-02 ppm1 2.262 ppm2 4.533 CV 1 OR { 3182} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 57 and name HA )) OR { 3182} (( segid " " and resid 57 and name HB2 )) (( segid " " and resid 58 and name HA )) ASSI { 3188} (( segid " " and resid 71 and name HB )) (( segid " " and resid 78 and name HN )) 3.200 1.400 2.100 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.33665E-02 ppm1 2.236 ppm2 8.069 CV 1 OR { 3188} (( segid " " and resid 71 and name HB )) (( segid " " and resid 75 and name HN )) ASSI { 3193} ( segid " " and resid 57 and name HE% ) (( segid " " and resid 63 and name HA )) 3.900 2.100 2.100 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.78043E-03 ppm1 2.072 ppm2 4.139 CV 1 OR { 3193} ( segid " " and resid 57 and name HE% ) (( segid " " and resid 66 and name HA )) ASSI { 3196} ( segid " " and resid 57 and name HE% ) (( segid " " and resid 62 and name HB2 )) 3.200 1.400 2.000 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.74143E-03 ppm1 2.072 ppm2 2.904 CV 1 OR { 3196} ( segid " " and resid 57 and name HE% ) (( segid " " and resid 57 and name HG2 )) ASSI { 3199} ( segid " " and resid 57 and name HE% ) (( segid " " and resid 53 and name HD1 )) 4.200 2.400 1.800 peak 3199 spectrum 1 weight 0.10000E+01 volume 0.42707E-03 ppm1 2.071 ppm2 1.683 CV 1 OR { 3199} ( segid " " and resid 57 and name HE% ) (( segid " " and resid 64 and name HG2 )) ASSI { 3205} ( segid " " and resid 57 and name HE% ) ( segid " " and resid 50 and name HG2%) 2.600 0.800 1.300 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.27266E-02 ppm1 2.071 ppm2 1.026 CV 1 OR { 3205} ( segid " " and resid 57 and name HE% ) (( segid " " and resid 50 and name HG12)) OR { 3205} ( segid " " and resid 57 and name HE% ) ( segid " " and resid 66 and name HD1%) ASSI { 3209} ( segid " " and resid 57 and name HE% ) (( segid " " and resid 62 and name HN )) 4.600 2.800 1.400 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.33525E-03 ppm1 2.073 ppm2 7.843 CV 1 OR { 3209} ( segid " " and resid 57 and name HE% ) (( segid " " and resid 56 and name HD21)) OR { 3209} ( segid " " and resid 57 and name HE% ) (( segid " " and resid 65 and name HN )) ASSI { 3212} ( segid " " and resid 57 and name HE% ) (( segid " " and resid 46 and name HE22)) 4.600 2.800 1.400 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.40759E-03 ppm1 2.073 ppm2 6.886 CV 1 OR { 3212} ( segid " " and resid 57 and name HE% ) (( segid " " and resid 42 and name HZ2 )) ASSI { 803} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HE% ) 3.500 1.700 2.400 peak 803 spectrum 1 weight 0.10000E+01 volume 0.50914E-02 ppm1 8.445 ppm2 2.166 CV 1 OR { 803} (( segid " " and resid 58 and name HN )) (( segid " " and resid 63 and name HB1 )) ASSI { 804} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HG1 )) 3.300 1.500 2.200 peak 804 spectrum 1 weight 0.10000E+01 volume 0.47714E-02 ppm1 8.445 ppm2 2.553 CV 1 OR { 804} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HG1 )) ASSI { 808} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 2.700 0.900 1.500 peak 808 spectrum 1 weight 0.10000E+01 volume 0.16137E-02 ppm1 8.445 ppm2 4.512 CV 1 OR { 808} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA )) ASSI { 3231} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB1 )) 2.500 0.700 1.300 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.83884E-02 ppm1 4.532 ppm2 2.250 CV 1 OR { 3231} (( segid " " and resid 58 and name HA )) (( segid " " and resid 57 and name HB2 )) ASSI { 3232} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB2 )) 2.100 0.300 0.900 peak 3232 spectrum 1 weight 0.10000E+01 volume 0.93484E-02 ppm1 4.528 ppm2 2.113 CV 1 OR { 3232} (( segid " " and resid 58 and name HA )) (( segid " " and resid 57 and name HB1 )) ASSI { 3250} ( segid " " and resid 58 and name HE% ) (( segid " " and resid 58 and name HN )) 2.000 0.200 4.000 peak 3250 spectrum 1 weight 0.10000E+01 volume 0.58147E-03 ppm1 2.166 ppm2 8.435 CV 1 OR { 3250} ( segid " " and resid 58 and name HE% ) (( segid " " and resid 60 and name HN )) ASSI { 3256} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HN )) 4.400 2.600 1.600 peak 3256 spectrum 1 weight 0.10000E+01 volume 0.67192E-03 ppm1 2.791 ppm2 8.428 CV 1 OR { 3256} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 60 and name HN )) ASSI { 820} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB1 )) 2.700 0.900 1.400 peak 820 spectrum 1 weight 0.10000E+01 volume 0.20032E-02 ppm1 8.188 ppm2 3.245 CV 1 OR { 820} (( segid " " and resid 59 and name HN )) (( segid " " and resid 56 and name HB1 )) ASSI { 821} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB2 )) 3.500 1.700 2.400 peak 821 spectrum 1 weight 0.10000E+01 volume 0.29074E-02 ppm1 8.191 ppm2 2.094 CV 1 OR { 821} (( segid " " and resid 59 and name HN )) ( segid " " and resid 57 and name HE% ) OR { 821} (( segid " " and resid 59 and name HN )) (( segid " " and resid 57 and name HB1 )) ASSI { 824} (( segid " " and resid 59 and name HN )) (( segid " " and resid 56 and name HD21)) 1.800 0.000 4.200 peak 824 spectrum 1 weight 0.10000E+01 volume 0.11324E-01 ppm1 8.191 ppm2 7.857 CV 1 OR { 824} (( segid " " and resid 59 and name HN )) (( segid " " and resid 62 and name HN )) ASSI { 3268} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB1 )) 3.500 1.700 2.400 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.66773E-03 ppm1 4.755 ppm2 3.252 CV 1 OR { 3268} (( segid " " and resid 59 and name HA )) (( segid " " and resid 56 and name HB1 )) ASSI { 3269} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB2 )) 2.700 0.900 1.500 peak 3269 spectrum 1 weight 0.10000E+01 volume 0.10461E-02 ppm1 4.755 ppm2 2.440 CV 1 OR { 3269} (( segid " " and resid 59 and name HA )) (( segid " " and resid 61 and name HG2 )) ASSI { 3270} (( segid " " and resid 59 and name HA )) ( segid " " and resid 58 and name HE% ) 2.300 0.500 3.700 peak 3270 spectrum 1 weight 0.10000E+01 volume 0.56619E-03 ppm1 4.753 ppm2 2.193 CV 1 OR { 3270} (( segid " " and resid 59 and name HA )) (( segid " " and resid 67 and name HG1 )) OR { 3270} (( segid " " and resid 59 and name HA )) (( segid " " and resid 70 and name HG1 )) ASSI { 3274} (( segid " " and resid 59 and name HA )) (( segid " " and resid 56 and name HD21)) 5.700 3.900 0.300 peak 3274 spectrum 1 weight 0.10000E+01 volume 0.10099E-03 ppm1 4.756 ppm2 7.891 CV 1 OR { 3274} (( segid " " and resid 59 and name HA )) (( segid " " and resid 62 and name HN )) ASSI { 3278} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 57 and name HA )) 4.300 2.500 1.700 peak 3278 spectrum 1 weight 0.10000E+01 volume 0.79848E-03 ppm1 3.253 ppm2 4.469 CV 1 OR { 3278} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 55 and name HA )) ASSI { 3281} (( segid " " and resid 60 and name HA )) (( segid " " and resid 64 and name HB1 )) 3.900 2.100 2.100 peak 3281 spectrum 1 weight 0.10000E+01 volume 0.19476E-02 ppm1 3.962 ppm2 2.072 CV 1 OR { 3281} (( segid " " and resid 60 and name HA )) ( segid " " and resid 57 and name HE% ) ASSI { 3285} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HN )) 3.300 1.500 2.200 peak 3285 spectrum 1 weight 0.10000E+01 volume 0.86946E-03 ppm1 3.963 ppm2 8.418 CV 1 OR { 3285} (( segid " " and resid 60 and name HA )) (( segid " " and resid 63 and name HN )) ASSI { 3286} (( segid " " and resid 60 and name HA )) (( segid " " and resid 64 and name HN )) 4.100 2.300 1.900 peak 3286 spectrum 1 weight 0.10000E+01 volume 0.55504E-03 ppm1 3.955 ppm2 7.904 CV 1 OR { 3286} (( segid " " and resid 60 and name HA )) (( segid " " and resid 56 and name HD21)) ASSI { 3292} ( segid " " and resid 60 and name HB% ) (( segid " " and resid 61 and name HG2 )) 4.700 2.900 1.300 peak 3292 spectrum 1 weight 0.10000E+01 volume 0.47576E-03 ppm1 1.588 ppm2 2.445 CV 1 OR { 3292} ( segid " " and resid 60 and name HB% ) (( segid " " and resid 59 and name HB2 )) ASSI { 3294} ( segid " " and resid 60 and name HB% ) (( segid " " and resid 63 and name HB2 )) 4.000 2.200 2.000 peak 3294 spectrum 1 weight 0.10000E+01 volume 0.10753E-02 ppm1 1.584 ppm2 2.038 CV 1 OR { 3294} ( segid " " and resid 60 and name HB% ) (( segid " " and resid 64 and name HB1 )) ASSI { 3298} ( segid " " and resid 60 and name HB% ) (( segid " " and resid 62 and name HN )) 4.700 2.900 1.300 peak 3298 spectrum 1 weight 0.10000E+01 volume 0.50914E-03 ppm1 1.587 ppm2 7.883 CV 1 OR { 3298} ( segid " " and resid 60 and name HB% ) (( segid " " and resid 64 and name HN )) OR { 3298} ( segid " " and resid 60 and name HB% ) (( segid " " and resid 56 and name HD21)) OR { 3298} ( segid " " and resid 60 and name HB% ) (( segid " " and resid 65 and name HN )) ASSI { 832} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HG2 )) 3.300 1.500 2.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.32413E-02 ppm1 8.527 ppm2 2.417 CV 1 OR { 832} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HB2 )) ASSI { 834} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HB1 )) 3.600 1.800 2.400 peak 834 spectrum 1 weight 0.10000E+01 volume 0.63853E-03 ppm1 8.523 ppm2 3.253 CV 1 OR { 834} (( segid " " and resid 61 and name HN )) (( segid " " and resid 63 and name HD1 )) ASSI { 842} (( segid " " and resid 61 and name HN )) (( segid " " and resid 62 and name HN )) 3.000 1.200 1.800 peak 842 spectrum 1 weight 0.10000E+01 volume 0.70249E-03 ppm1 8.524 ppm2 7.860 CV 1 OR { 842} (( segid " " and resid 61 and name HN )) (( segid " " and resid 56 and name HD21)) ASSI { 3300} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB1 )) 1.800 0.000 0.700 peak 3300 spectrum 1 weight 0.10000E+01 volume 0.20032E-01 ppm1 4.243 ppm2 2.281 CV 1 OR { 3300} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HG2 )) ASSI { 3302} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HD1 )) 2.300 0.500 1.100 peak 3302 spectrum 1 weight 0.10000E+01 volume 0.64549E-02 ppm1 4.243 ppm2 1.805 CV 1 OR { 3302} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HD1 )) ASSI { 3303} (( segid " " and resid 61 and name HA )) ( segid " " and resid 60 and name HB% ) 2.800 1.000 1.600 peak 3303 spectrum 1 weight 0.10000E+01 volume 0.51053E-02 ppm1 4.245 ppm2 1.606 CV 1 OR { 3303} (( segid " " and resid 64 and name HA )) ( segid " " and resid 60 and name HB% ) ASSI { 3305} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HN )) 2.700 0.900 1.500 peak 3305 spectrum 1 weight 0.10000E+01 volume 0.31856E-02 ppm1 4.245 ppm2 8.312 CV 1 OR { 3305} (( segid " " and resid 64 and name HA )) (( segid " " and resid 66 and name HN )) OR { 3305} (( segid " " and resid 61 and name HA )) (( segid " " and resid 66 and name HN )) ASSI { 3306} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HN )) 2.600 0.800 1.300 peak 3306 spectrum 1 weight 0.10000E+01 volume 0.31021E-02 ppm1 4.244 ppm2 7.897 CV 1 OR { 3306} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HN )) ASSI { 3307} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HD2 )) 3.800 2.000 2.200 peak 3307 spectrum 1 weight 0.10000E+01 volume 0.13716E-02 ppm1 4.239 ppm2 6.855 CV 1 OR { 3307} (( segid " " and resid 64 and name HA )) (( segid " " and resid 62 and name HD2 )) OR { 3307} (( segid " " and resid 64 and name HA )) (( segid " " and resid 42 and name HZ2 )) ASSI { 3309} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HG2 )) 1.800 0.000 4.200 peak 3309 spectrum 1 weight 0.10000E+01 volume 0.11921E+00 ppm1 2.296 ppm2 2.434 CV 1 OR { 3309} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 59 and name HB2 )) ASSI { 3312} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 62 and name HN )) 3.600 1.800 2.400 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.13702E-02 ppm1 2.290 ppm2 7.871 CV 1 OR { 3312} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 56 and name HD21)) ASSI { 3318} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.500 peak 3318 spectrum 1 weight 0.10000E+01 volume 0.12200E-02 ppm1 2.237 ppm2 7.883 CV 1 OR { 3318} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 64 and name HN )) OR { 3318} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 56 and name HD21)) ASSI { 3321} (( segid " " and resid 61 and name HG1 )) ( segid " " and resid 60 and name HB% ) 3.000 1.200 1.800 peak 3321 spectrum 1 weight 0.10000E+01 volume 0.21423E-02 ppm1 2.515 ppm2 1.582 CV 1 OR { 3321} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 64 and name HG1 )) ASSI { 3324} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 62 and name HN )) 5.100 3.300 0.900 peak 3324 spectrum 1 weight 0.10000E+01 volume 0.28796E-03 ppm1 2.512 ppm2 7.877 CV 1 OR { 3324} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 64 and name HN )) OR { 3324} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 56 and name HD21)) ASSI { 3328} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 60 and name HB% ) 3.300 1.500 2.200 peak 3328 spectrum 1 weight 0.10000E+01 volume 0.30743E-02 ppm1 2.411 ppm2 1.552 CV 1 OR { 3328} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 64 and name HG1 )) ASSI { 847} (( segid " " and resid 62 and name HN )) ( segid " " and resid 65 and name HD2%) 4.500 2.700 1.500 peak 847 spectrum 1 weight 0.10000E+01 volume 0.78043E-03 ppm1 7.858 ppm2 1.054 CV 1 OR { 847} (( segid " " and resid 62 and name HN )) ( segid " " and resid 66 and name HD1%) OR { 847} (( segid " " and resid 62 and name HN )) (( segid " " and resid 50 and name HG12)) ASSI { 849} (( segid " " and resid 62 and name HN )) (( segid " " and resid 65 and name HB2 )) 3.500 1.700 2.400 peak 849 spectrum 1 weight 0.10000E+01 volume 0.26014E-02 ppm1 7.863 ppm2 2.053 CV 1 OR { 849} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HB1 )) OR { 849} (( segid " " and resid 62 and name HN )) ( segid " " and resid 57 and name HE% ) ASSI { 852} (( segid " " and resid 62 and name HN )) (( segid " " and resid 59 and name HB1 )) 3.200 1.400 2.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.35195E-03 ppm1 7.861 ppm2 3.265 CV 1 OR { 852} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HD1 )) ASSI { 3331} (( segid " " and resid 62 and name HA )) (( segid " " and resid 61 and name HA )) 3.000 1.200 1.800 peak 3331 spectrum 1 weight 0.10000E+01 volume 0.29908E-02 ppm1 4.595 ppm2 4.254 CV 1 OR { 3331} (( segid " " and resid 62 and name HA )) (( segid " " and resid 64 and name HA )) ASSI { 3335} (( segid " " and resid 62 and name HA )) (( segid " " and resid 65 and name HB2 )) 2.300 0.500 1.100 peak 3335 spectrum 1 weight 0.10000E+01 volume 0.63156E-02 ppm1 4.612 ppm2 2.036 CV 1 OR { 3335} (( segid " " and resid 62 and name HA )) ( segid " " and resid 57 and name HE% ) OR { 3335} (( segid " " and resid 62 and name HA )) (( segid " " and resid 63 and name HB2 )) ASSI { 3336} (( segid " " and resid 62 and name HA )) (( segid " " and resid 64 and name HG2 )) 3.800 2.000 2.200 peak 3336 spectrum 1 weight 0.10000E+01 volume 0.16137E-02 ppm1 4.607 ppm2 1.685 CV 1 OR { 3336} (( segid " " and resid 62 and name HA )) (( segid " " and resid 53 and name HD1 )) ASSI { 3337} (( segid " " and resid 62 and name HA )) ( segid " " and resid 65 and name HD2%) 3.700 1.900 2.300 peak 3337 spectrum 1 weight 0.10000E+01 volume 0.18501E-02 ppm1 4.600 ppm2 1.025 CV 1 OR { 3337} (( segid " " and resid 62 and name HA )) ( segid " " and resid 66 and name HD1%) OR { 3337} (( segid " " and resid 62 and name HA )) (( segid " " and resid 50 and name HG12)) ASSI { 3342} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HN )) 2.600 0.800 1.300 peak 3342 spectrum 1 weight 0.10000E+01 volume 0.27404E-02 ppm1 4.606 ppm2 7.857 CV 1 OR { 3342} (( segid " " and resid 62 and name HA )) (( segid " " and resid 65 and name HN )) ASSI { 3348} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 65 and name HD1%) 3.900 2.100 2.100 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.59958E-03 ppm1 4.037 ppm2 0.992 CV 1 OR { 3348} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 66 and name HD1%) ASSI { 3350} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HN )) 4.300 2.500 1.700 peak 3350 spectrum 1 weight 0.10000E+01 volume 0.47436E-03 ppm1 4.024 ppm2 7.885 CV 1 OR { 3350} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 65 and name HN )) OR { 3350} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 64 and name HN )) OR { 3350} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 56 and name HD21)) ASSI { 3355} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 65 and name HD2%) 3.900 2.100 2.100 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.17249E-02 ppm1 2.901 ppm2 1.016 CV 1 OR { 3355} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 66 and name HD1%) OR { 3355} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 50 and name HG12)) ASSI { 3358} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 57 and name HA )) 3.500 1.700 2.400 peak 3358 spectrum 1 weight 0.10000E+01 volume 0.61487E-03 ppm1 2.895 ppm2 4.510 CV 1 OR { 3358} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 58 and name HA )) ASSI { 3359} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HN )) 3.700 1.900 2.300 peak 3359 spectrum 1 weight 0.10000E+01 volume 0.19476E-03 ppm1 2.909 ppm2 7.879 CV 1 OR { 3359} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 56 and name HD21)) OR { 3359} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 64 and name HN )) OR { 3359} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 65 and name HN )) ASSI { 864} (( segid " " and resid 63 and name HN )) ( segid " " and resid 65 and name HD2%) 4.100 2.300 1.900 peak 864 spectrum 1 weight 0.10000E+01 volume 0.15302E-02 ppm1 8.380 ppm2 1.023 CV 1 OR { 864} (( segid " " and resid 63 and name HN )) ( segid " " and resid 66 and name HD1%) OR { 864} (( segid " " and resid 63 and name HN )) (( segid " " and resid 50 and name HG12)) ASSI { 866} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HB1 )) 3.400 1.600 2.300 peak 866 spectrum 1 weight 0.10000E+01 volume 0.30187E-02 ppm1 8.378 ppm2 2.055 CV 1 OR { 866} (( segid " " and resid 63 and name HN )) ( segid " " and resid 57 and name HE% ) OR { 866} (( segid " " and resid 63 and name HN )) (( segid " " and resid 65 and name HB2 )) ASSI { 873} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HN )) 2.900 1.100 1.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.96404E-03 ppm1 8.378 ppm2 7.874 CV 1 OR { 873} (( segid " " and resid 63 and name HN )) (( segid " " and resid 65 and name HN )) ASSI { 3360} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB2 )) 2.200 0.400 0.900 peak 3360 spectrum 1 weight 0.10000E+01 volume 0.10614E-01 ppm1 4.168 ppm2 2.020 CV 1 OR { 3360} (( segid " " and resid 63 and name HA )) (( segid " " and resid 66 and name HB1 )) OR { 3360} (( segid " " and resid 63 and name HA )) (( segid " " and resid 66 and name HG )) OR { 3360} (( segid " " and resid 63 and name HA )) (( segid " " and resid 46 and name HG2 )) ASSI { 3364} (( segid " " and resid 63 and name HA )) (( segid " " and resid 64 and name HN )) 2.900 1.100 1.600 peak 3364 spectrum 1 weight 0.10000E+01 volume 0.18641E-02 ppm1 4.167 ppm2 7.890 CV 1 OR { 3364} (( segid " " and resid 63 and name HA )) (( segid " " and resid 62 and name HN )) ASSI { 876} (( segid " " and resid 64 and name HN )) ( segid " " and resid 65 and name HD2%) 5.400 3.600 0.600 peak 876 spectrum 1 weight 0.10000E+01 volume 0.32969E-03 ppm1 7.917 ppm2 1.002 CV 1 OR { 876} (( segid " " and resid 64 and name HN )) ( segid " " and resid 65 and name HD1%) OR { 876} (( segid " " and resid 64 and name HN )) ( segid " " and resid 66 and name HD1%) ASSI { 882} (( segid " " and resid 64 and name HN )) (( segid " " and resid 60 and name HA )) 3.700 1.900 2.300 peak 882 spectrum 1 weight 0.10000E+01 volume 0.91254E-03 ppm1 7.918 ppm2 3.982 CV 1 OR { 882} (( segid " " and resid 64 and name HN )) (( segid " " and resid 67 and name HA )) ASSI { 884} (( segid " " and resid 64 and name HN )) (( segid " " and resid 62 and name HA )) 3.800 2.000 2.200 peak 884 spectrum 1 weight 0.10000E+01 volume 0.47297E-03 ppm1 7.916 ppm2 4.592 CV 1 OR { 884} (( segid " " and resid 64 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 3367} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HA )) 2.000 0.200 0.800 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.82910E-02 ppm1 2.062 ppm2 4.247 CV 1 OR { 3367} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 61 and name HA )) ASSI { 3369} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 66 and name HN )) 3.200 1.400 2.000 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.33386E-02 ppm1 2.073 ppm2 8.302 CV 1 OR { 3369} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 67 and name HN )) ASSI { 3372} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 63 and name HN )) 2.300 0.500 3.700 peak 3372 spectrum 1 weight 0.10000E+01 volume 0.15441E-02 ppm1 1.776 ppm2 8.369 CV 1 OR { 3372} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 69 and name HN )) ASSI { 3376} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 64 and name HA )) 3.000 1.200 1.800 peak 3376 spectrum 1 weight 0.10000E+01 volume 0.95431E-03 ppm1 1.681 ppm2 4.250 CV 1 OR { 3376} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 61 and name HA )) ASSI { 893} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HD2%) 4.700 2.900 1.300 peak 893 spectrum 1 weight 0.10000E+01 volume 0.64826E-03 ppm1 7.850 ppm2 1.014 CV 1 OR { 893} (( segid " " and resid 65 and name HN )) ( segid " " and resid 66 and name HD1%) ASSI { 895} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB2 )) 2.400 0.600 1.100 peak 895 spectrum 1 weight 0.10000E+01 volume 0.31160E-02 ppm1 7.849 ppm2 2.013 CV 1 OR { 895} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HB1 )) OR { 895} (( segid " " and resid 65 and name HN )) (( segid " " and resid 63 and name HB2 )) ASSI { 898} (( segid " " and resid 65 and name HN )) (( segid " " and resid 62 and name HA )) 3.400 1.600 2.300 peak 898 spectrum 1 weight 0.10000E+01 volume 0.74839E-03 ppm1 7.850 ppm2 4.595 CV 1 OR { 898} (( segid " " and resid 65 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 899} (( segid " " and resid 65 and name HN )) (( segid " " and resid 62 and name HD2 )) 4.800 3.000 1.200 peak 899 spectrum 1 weight 0.10000E+01 volume 0.41038E-03 ppm1 7.849 ppm2 6.844 CV 1 OR { 899} (( segid " " and resid 65 and name HN )) (( segid " " and resid 46 and name HE22)) OR { 899} (( segid " " and resid 65 and name HN )) (( segid " " and resid 42 and name HZ2 )) ASSI { 901} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HN )) 3.000 1.200 1.700 peak 901 spectrum 1 weight 0.10000E+01 volume 0.10656E-02 ppm1 7.849 ppm2 8.293 CV 1 OR { 901} (( segid " " and resid 65 and name HN )) (( segid " " and resid 67 and name HN )) ASSI { 3383} (( segid " " and resid 65 and name HA )) (( segid " " and resid 68 and name HB1 )) 2.900 1.100 1.700 peak 3383 spectrum 1 weight 0.10000E+01 volume 0.77347E-02 ppm1 4.314 ppm2 2.425 CV 1 OR { 3383} (( segid " " and resid 65 and name HA )) (( segid " " and resid 83 and name HG1 )) OR { 3383} (( segid " " and resid 65 and name HA )) (( segid " " and resid 69 and name HB2 )) ASSI { 3384} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB2 )) 2.200 0.400 0.900 peak 3384 spectrum 1 weight 0.10000E+01 volume 0.74703E-02 ppm1 4.314 ppm2 1.998 CV 1 OR { 3384} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB1 )) OR { 3384} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HB1 )) ASSI { 3386} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HN )) 3.200 1.400 2.100 peak 3386 spectrum 1 weight 0.10000E+01 volume 0.12478E-02 ppm1 4.315 ppm2 8.308 CV 1 OR { 3386} (( segid " " and resid 65 and name HA )) (( segid " " and resid 67 and name HN )) OR { 3386} (( segid " " and resid 65 and name HA )) (( segid " " and resid 82 and name HN )) ASSI { 3389} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 62 and name HA )) 3.600 1.800 2.400 peak 3389 spectrum 1 weight 0.10000E+01 volume 0.42707E-03 ppm1 1.974 ppm2 4.600 CV 1 OR { 3389} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 83 and name HA )) ASSI { 3391} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 66 and name HA )) 3.000 1.200 1.700 peak 3391 spectrum 1 weight 0.10000E+01 volume 0.23370E-02 ppm1 1.974 ppm2 4.092 CV 1 OR { 3391} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 68 and name HA )) ASSI { 3393} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 53 and name HD2 )) 3.800 2.000 2.200 peak 3393 spectrum 1 weight 0.10000E+01 volume 0.12200E-02 ppm1 1.954 ppm2 1.511 CV 1 OR { 3393} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 82 and name HG11)) ASSI { 3398} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 66 and name HN )) 2.000 0.200 0.800 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.75677E-02 ppm1 1.978 ppm2 8.312 CV 1 OR { 3398} (( segid " " and resid 65 and name HB1 )) (( segid " " and resid 67 and name HN )) ASSI { 3403} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 62 and name HA )) 3.300 1.500 2.200 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.61209E-03 ppm1 2.029 ppm2 4.591 CV 1 OR { 3403} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 83 and name HA )) ASSI { 3404} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 66 and name HA )) 3.400 1.600 2.300 peak 3404 spectrum 1 weight 0.10000E+01 volume 0.39090E-02 ppm1 2.011 ppm2 4.102 CV 1 OR { 3404} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 68 and name HA )) ASSI { 3411} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 66 and name HN )) 3.100 1.300 1.900 peak 3411 spectrum 1 weight 0.10000E+01 volume 0.42567E-02 ppm1 2.012 ppm2 8.270 CV 1 OR { 3411} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 67 and name HN )) ASSI { 3413} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 65 and name HN )) 2.800 1.000 1.600 peak 3413 spectrum 1 weight 0.10000E+01 volume 0.10280E-02 ppm1 2.029 ppm2 7.878 CV 1 OR { 3413} (( segid " " and resid 65 and name HB2 )) (( segid " " and resid 64 and name HN )) ASSI { 3414} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 83 and name HA )) 4.100 2.300 1.900 peak 3414 spectrum 1 weight 0.10000E+01 volume 0.53418E-03 ppm1 0.970 ppm2 4.601 CV 1 OR { 3414} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 62 and name HA )) ASSI { 3416} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 66 and name HA )) 4.400 2.600 1.600 peak 3416 spectrum 1 weight 0.10000E+01 volume 0.74284E-03 ppm1 0.973 ppm2 4.096 CV 1 OR { 3416} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 68 and name HA )) OR { 3416} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 72 and name HB1 )) ASSI { 3418} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 69 and name HG2 )) 5.900 4.100 0.100 peak 3418 spectrum 1 weight 0.10000E+01 volume 0.49940E-03 ppm1 0.971 ppm2 2.612 CV 1 OR { 3418} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 68 and name HG2 )) ASSI { 3419} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 83 and name HG2 )) 2.400 0.600 1.200 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.85135E-03 ppm1 0.971 ppm2 2.334 CV 1 OR { 3419} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 69 and name HG1 )) OR { 3419} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 83 and name HB1 )) ASSI { 3421} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 53 and name HD2 )) 2.400 0.600 3.600 peak 3421 spectrum 1 weight 0.10000E+01 volume 0.58843E-02 ppm1 0.983 ppm2 1.517 CV 1 OR { 3421} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 82 and name HG11)) ASSI { 3427} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 70 and name HN )) 3.600 1.800 2.400 peak 3427 spectrum 1 weight 0.10000E+01 volume 0.76509E-03 ppm1 0.971 ppm2 8.538 CV 1 OR { 3427} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 79 and name HN )) ASSI { 3428} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 68 and name HN )) 4.100 2.300 1.900 peak 3428 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 0.974 ppm2 8.075 CV 1 OR { 3428} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 80 and name HN )) ASSI { 3433} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 68 and name HE22)) 5.000 3.200 1.000 peak 3433 spectrum 1 weight 0.10000E+01 volume 0.57870E-03 ppm1 0.973 ppm2 7.073 CV 1 OR { 3433} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 81 and name HD2 )) ASSI { 3434} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 46 and name HE22)) 3.600 1.800 2.400 peak 3434 spectrum 1 weight 0.10000E+01 volume 0.54114E-03 ppm1 0.966 ppm2 6.834 CV 1 OR { 3434} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 42 and name HZ2 )) OR { 3434} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 62 and name HD2 )) ASSI { 3435} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 66 and name HN )) 4.300 2.500 1.700 peak 3435 spectrum 1 weight 0.10000E+01 volume 0.96263E-03 ppm1 0.966 ppm2 8.316 CV 1 OR { 3435} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 67 and name HN )) OR { 3435} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 82 and name HN )) ASSI { 904} (( segid " " and resid 66 and name HN )) ( segid " " and resid 66 and name HD1%) 3.600 1.800 2.400 peak 904 spectrum 1 weight 0.10000E+01 volume 0.13660E-02 ppm1 8.288 ppm2 1.018 CV 1 OR { 904} (( segid " " and resid 66 and name HN )) ( segid " " and resid 65 and name HD2%) ASSI { 906} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB1 )) 2.500 0.700 1.300 peak 906 spectrum 1 weight 0.10000E+01 volume 0.29908E-02 ppm1 8.288 ppm2 1.997 CV 1 OR { 906} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB1 )) OR { 906} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB2 )) OR { 906} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HG )) ASSI { 907} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HB1 )) 4.100 2.300 1.900 peak 907 spectrum 1 weight 0.10000E+01 volume 0.93484E-03 ppm1 8.288 ppm2 2.323 CV 1 OR { 907} (( segid " " and resid 66 and name HN )) (( segid " " and resid 83 and name HG2 )) OR { 907} (( segid " " and resid 66 and name HN )) (( segid " " and resid 69 and name HG1 )) OR { 907} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HG2 )) OR { 907} (( segid " " and resid 66 and name HN )) (( segid " " and resid 68 and name HB2 )) OR { 907} (( segid " " and resid 66 and name HN )) (( segid " " and resid 69 and name HB1 )) ASSI { 909} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 2.900 1.100 1.700 peak 909 spectrum 1 weight 0.10000E+01 volume 0.15302E-02 ppm1 8.288 ppm2 4.149 CV 1 OR { 909} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HA )) ASSI { 910} (( segid " " and resid 66 and name HN )) (( segid " " and resid 62 and name HA )) 4.400 2.600 1.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.26431E-03 ppm1 8.292 ppm2 4.600 CV 1 OR { 910} (( segid " " and resid 66 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 911} (( segid " " and resid 66 and name HN )) (( segid " " and resid 46 and name HE22)) 5.000 3.200 1.000 peak 911 spectrum 1 weight 0.10000E+01 volume 0.18501E-03 ppm1 8.290 ppm2 6.852 CV 1 OR { 911} (( segid " " and resid 66 and name HN )) (( segid " " and resid 42 and name HZ2 )) ASSI { 3442} (( segid " " and resid 66 and name HA )) (( segid " " and resid 46 and name HB1 )) 4.000 2.200 2.000 peak 3442 spectrum 1 weight 0.10000E+01 volume 0.22397E-02 ppm1 4.125 ppm2 0.443 CV 1 OR { 3442} (( segid " " and resid 68 and name HA )) (( segid " " and resid 74 and name HB1 )) ASSI { 3443} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB2 )) 2.200 0.400 1.000 peak 3443 spectrum 1 weight 0.10000E+01 volume 0.11352E-01 ppm1 4.139 ppm2 2.330 CV 1 OR { 3443} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HB1 )) OR { 3443} (( segid " " and resid 66 and name HA )) (( segid " " and resid 69 and name HB1 )) OR { 3443} (( segid " " and resid 66 and name HA )) (( segid " " and resid 69 and name HG1 )) OR { 3443} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HG2 )) OR { 3443} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HB1 )) OR { 3443} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HG1 )) OR { 3443} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HB1 )) OR { 3443} (( segid " " and resid 66 and name HA )) (( segid " " and resid 68 and name HB2 )) OR { 3443} (( segid " " and resid 66 and name HA )) (( segid " " and resid 83 and name HG2 )) ASSI { 3444} (( segid " " and resid 66 and name HA )) ( segid " " and resid 57 and name HE% ) 2.400 0.600 3.600 peak 3444 spectrum 1 weight 0.10000E+01 volume 0.12993E-01 ppm1 4.130 ppm2 2.106 CV 1 OR { 3444} (( segid " " and resid 66 and name HA )) (( segid " " and resid 64 and name HB1 )) OR { 3444} (( segid " " and resid 68 and name HA )) (( segid " " and resid 64 and name HB1 )) ASSI { 3445} (( segid " " and resid 68 and name HA )) (( segid " " and resid 80 and name HN )) 3.600 1.800 2.400 peak 3445 spectrum 1 weight 0.10000E+01 volume 0.51331E-02 ppm1 4.123 ppm2 8.088 CV 1 OR { 3445} (( segid " " and resid 68 and name HA )) (( segid " " and resid 78 and name HN )) ASSI { 3446} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HN )) 2.700 0.900 1.500 peak 3446 spectrum 1 weight 0.10000E+01 volume 0.27404E-02 ppm1 4.127 ppm2 8.302 CV 1 OR { 3446} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HN )) OR { 3446} (( segid " " and resid 68 and name HA )) (( segid " " and resid 67 and name HN )) OR { 3446} (( segid " " and resid 68 and name HA )) (( segid " " and resid 82 and name HN )) ASSI { 3448} (( segid " " and resid 66 and name HG )) (( segid " " and resid 66 and name HA )) 2.600 0.800 1.300 peak 3448 spectrum 1 weight 0.10000E+01 volume 0.19197E-02 ppm1 1.975 ppm2 4.144 CV 1 OR { 3448} (( segid " " and resid 66 and name HG )) (( segid " " and resid 63 and name HA )) ASSI { 3449} (( segid " " and resid 66 and name HG )) ( segid " " and resid 66 and name HD1%) 2.300 0.500 1.100 peak 3449 spectrum 1 weight 0.10000E+01 volume 0.37559E-02 ppm1 1.974 ppm2 1.029 CV 1 OR { 3449} (( segid " " and resid 66 and name HG )) ( segid " " and resid 65 and name HD2%) ASSI { 3451} (( segid " " and resid 66 and name HG )) (( segid " " and resid 66 and name HN )) 3.900 2.100 2.100 peak 3451 spectrum 1 weight 0.10000E+01 volume 0.12659E-02 ppm1 1.971 ppm2 8.297 CV 1 OR { 3451} (( segid " " and resid 66 and name HG )) (( segid " " and resid 67 and name HN )) ASSI { 3452} (( segid " " and resid 66 and name HG )) (( segid " " and resid 42 and name HD1 )) 4.300 2.500 1.700 peak 3452 spectrum 1 weight 0.10000E+01 volume 0.46324E-03 ppm1 1.973 ppm2 7.309 CV 1 OR { 3452} (( segid " " and resid 66 and name HG )) ( segid " " and resid 73 and name HE% ) ASSI { 918} (( segid " " and resid 67 and name HN )) (( segid " " and resid 64 and name HG1 )) 1.800 0.000 4.200 peak 918 spectrum 1 weight 0.10000E+01 volume 0.15024E-02 ppm1 8.282 ppm2 1.528 CV 1 OR { 918} (( segid " " and resid 67 and name HN )) (( segid " " and resid 26 and name HG )) ASSI { 919} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB1 )) 2.700 0.900 1.500 peak 919 spectrum 1 weight 0.10000E+01 volume 0.18224E-02 ppm1 8.280 ppm2 2.012 CV 1 OR { 919} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HG )) OR { 919} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HB2 )) ASSI { 920} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB1 )) 2.500 0.700 1.300 peak 920 spectrum 1 weight 0.10000E+01 volume 0.42011E-02 ppm1 8.280 ppm2 2.325 CV 1 OR { 920} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HG2 )) OR { 920} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HB2 )) ASSI { 3454} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB1 )) 2.300 0.500 1.000 peak 3454 spectrum 1 weight 0.10000E+01 volume 0.16554E-01 ppm1 4.010 ppm2 2.319 CV 1 OR { 3454} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG2 )) OR { 3454} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HB2 )) ASSI { 3455} (( segid " " and resid 67 and name HA )) ( segid " " and resid 71 and name HG2%) 2.700 0.900 1.500 peak 3455 spectrum 1 weight 0.10000E+01 volume 0.47158E-02 ppm1 4.010 ppm2 1.143 CV 1 OR { 3455} (( segid " " and resid 67 and name HA )) (( segid " " and resid 82 and name HG12)) ASSI { 3457} (( segid " " and resid 67 and name HA )) ( segid " " and resid 30 and name HD1%) 3.000 1.200 3.000 peak 3457 spectrum 1 weight 0.10000E+01 volume 0.51192E-02 ppm1 4.010 ppm2 0.910 CV 1 OR { 3457} (( segid " " and resid 67 and name HA )) ( segid " " and resid 26 and name HD1%) OR { 3457} (( segid " " and resid 67 and name HA )) ( segid " " and resid 82 and name HG2%) OR { 3457} (( segid " " and resid 67 and name HA )) ( segid " " and resid 82 and name HD1%) ASSI { 3461} (( segid " " and resid 67 and name HG1 )) ( segid " " and resid 80 and name HG1%) 4.600 2.800 1.400 peak 3461 spectrum 1 weight 0.10000E+01 volume 0.34638E-03 ppm1 2.179 ppm2 0.840 CV 1 OR { 3461} (( segid " " and resid 67 and name HG1 )) ( segid " " and resid 82 and name HD1%) ASSI { 3463} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HN )) 5.500 3.700 0.500 peak 3463 spectrum 1 weight 0.10000E+01 volume 0.26431E-03 ppm1 2.176 ppm2 8.300 CV 1 OR { 3463} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 66 and name HN )) ASSI { 3469} (( segid " " and resid 67 and name HG2 )) ( segid " " and resid 80 and name HG1%) 4.400 2.600 1.600 peak 3469 spectrum 1 weight 0.10000E+01 volume 0.53835E-03 ppm1 2.311 ppm2 0.859 CV 1 OR { 3469} (( segid " " and resid 67 and name HG2 )) ( segid " " and resid 30 and name HD1%) OR { 3469} (( segid " " and resid 67 and name HG2 )) ( segid " " and resid 82 and name HD1%) ASSI { 3471} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HN )) 4.900 3.100 1.100 peak 3471 spectrum 1 weight 0.10000E+01 volume 0.71918E-03 ppm1 2.309 ppm2 8.311 CV 1 OR { 3471} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 66 and name HN )) ASSI { 926} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) 2.100 0.300 0.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.51749E-02 ppm1 8.043 ppm2 2.321 CV 1 OR { 926} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB2 )) OR { 926} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG2 )) OR { 926} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HG1 )) OR { 926} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HB1 )) ASSI { 927} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 2.700 0.900 1.500 peak 927 spectrum 1 weight 0.10000E+01 volume 0.21701E-02 ppm1 8.043 ppm2 4.114 CV 1 OR { 927} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HA )) OR { 927} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HA )) ASSI { 931} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 2.400 0.600 1.200 peak 931 spectrum 1 weight 0.10000E+01 volume 0.32413E-02 ppm1 8.043 ppm2 8.316 CV 1 OR { 931} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HN )) OR { 931} (( segid " " and resid 68 and name HN )) (( segid " " and resid 82 and name HN )) ASSI { 3474} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 68 and name HA )) 2.300 0.500 1.100 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.31021E-02 ppm1 2.458 ppm2 4.132 CV 1 OR { 3474} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 69 and name HA )) OR { 3474} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 80 and name HA )) ASSI { 3480} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HA )) 2.400 0.600 1.200 peak 3480 spectrum 1 weight 0.10000E+01 volume 0.51192E-02 ppm1 2.297 ppm2 4.155 CV 1 OR { 3480} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 69 and name HA )) OR { 3480} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 66 and name HA )) ASSI { 3482} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 78 and name HB2 )) 3.600 1.800 2.400 peak 3482 spectrum 1 weight 0.10000E+01 volume 0.13535E-02 ppm1 2.294 ppm2 1.912 CV 1 OR { 3482} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 65 and name HG )) ASSI { 935} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB2 )) 2.100 0.300 0.900 peak 935 spectrum 1 weight 0.10000E+01 volume 0.36725E-02 ppm1 8.373 ppm2 2.362 CV 1 OR { 935} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HG1 )) OR { 935} (( segid " " and resid 69 and name HN )) (( segid " " and resid 83 and name HG1 )) ASSI { 936} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HA )) 2.400 0.600 1.200 peak 936 spectrum 1 weight 0.10000E+01 volume 0.32552E-02 ppm1 8.368 ppm2 4.124 CV 1 OR { 936} (( segid " " and resid 69 and name HN )) (( segid " " and resid 66 and name HA )) OR { 936} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HA )) ASSI { 939} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HN )) 2.900 1.100 1.700 peak 939 spectrum 1 weight 0.10000E+01 volume 0.96540E-03 ppm1 8.373 ppm2 8.018 CV 1 OR { 939} (( segid " " and resid 69 and name HN )) (( segid " " and resid 71 and name HN )) ASSI { 3496} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 66 and name HA )) 2.700 0.900 1.500 peak 3496 spectrum 1 weight 0.10000E+01 volume 0.16276E-02 ppm1 2.399 ppm2 4.157 CV 1 OR { 3496} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HA )) ASSI { 3497} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 65 and name HD1%) 3.900 2.100 2.100 peak 3497 spectrum 1 weight 0.10000E+01 volume 0.22258E-02 ppm1 2.394 ppm2 0.959 CV 1 OR { 3497} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 82 and name HG2%) ASSI { 3501} (( segid " " and resid 69 and name HG1 )) (( segid " " and resid 69 and name HA )) 2.700 0.900 1.500 peak 3501 spectrum 1 weight 0.10000E+01 volume 0.24622E-02 ppm1 2.334 ppm2 4.149 CV 1 OR { 3501} (( segid " " and resid 69 and name HG1 )) (( segid " " and resid 66 and name HA )) OR { 3501} (( segid " " and resid 69 and name HG1 )) (( segid " " and resid 68 and name HA )) ASSI { 3503} (( segid " " and resid 69 and name HG1 )) (( segid " " and resid 66 and name HG )) 2.900 1.100 3.100 peak 3503 spectrum 1 weight 0.10000E+01 volume 0.43820E-02 ppm1 2.325 ppm2 1.973 CV 1 OR { 3503} (( segid " " and resid 69 and name HG1 )) (( segid " " and resid 65 and name HB1 )) OR { 3503} (( segid " " and resid 69 and name HG1 )) (( segid " " and resid 66 and name HB1 )) ASSI { 3507} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 69 and name HA )) 2.300 0.500 1.000 peak 3507 spectrum 1 weight 0.10000E+01 volume 0.27683E-02 ppm1 2.617 ppm2 4.140 CV 1 OR { 3507} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 66 and name HA )) OR { 3507} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 68 and name HA )) ASSI { 3509} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 66 and name HG )) 3.900 2.100 2.100 peak 3509 spectrum 1 weight 0.10000E+01 volume 0.19197E-02 ppm1 2.620 ppm2 2.021 CV 1 OR { 3509} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 66 and name HB1 )) OR { 3509} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 65 and name HB2 )) OR { 3509} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 46 and name HG2 )) OR { 3509} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 80 and name HB )) ASSI { 3511} (( segid " " and resid 69 and name HG2 )) ( segid " " and resid 82 and name HG2%) 2.200 0.400 1.000 peak 3511 spectrum 1 weight 0.10000E+01 volume 0.15441E-02 ppm1 2.618 ppm2 0.935 CV 1 OR { 3511} (( segid " " and resid 69 and name HG2 )) ( segid " " and resid 65 and name HD1%) ASSI { 941} (( segid " " and resid 70 and name HN )) ( segid " " and resid 82 and name HG2%) 4.200 2.400 1.800 peak 941 spectrum 1 weight 0.10000E+01 volume 0.12826E-02 ppm1 8.545 ppm2 0.931 CV 1 OR { 941} (( segid " " and resid 70 and name HN )) ( segid " " and resid 26 and name HD1%) ASSI { 942} (( segid " " and resid 70 and name HN )) ( segid " " and resid 71 and name HG1%) 4.000 2.200 2.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.14050E-02 ppm1 8.548 ppm2 1.045 CV 1 OR { 942} (( segid " " and resid 70 and name HN )) ( segid " " and resid 65 and name HD2%) ASSI { 943} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HE% ) 4.900 3.100 1.100 peak 943 spectrum 1 weight 0.10000E+01 volume 0.93761E-03 ppm1 8.549 ppm2 1.446 CV 1 OR { 943} (( segid " " and resid 70 and name HN )) (( segid " " and resid 82 and name HG11)) OR { 943} (( segid " " and resid 70 and name HN )) (( segid " " and resid 78 and name HG2 )) ASSI { 945} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.400 1.600 2.300 peak 945 spectrum 1 weight 0.10000E+01 volume 0.14050E-02 ppm1 8.549 ppm2 2.305 CV 1 OR { 945} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HG1 )) OR { 945} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HB2 )) OR { 945} (( segid " " and resid 70 and name HN )) (( segid " " and resid 67 and name HG2 )) ASSI { 946} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB1 )) 5.400 3.600 0.600 peak 946 spectrum 1 weight 0.10000E+01 volume 0.28656E-03 ppm1 8.543 ppm2 3.044 CV 1 OR { 946} (( segid " " and resid 70 and name HN )) (( segid " " and resid 78 and name HE1 )) ASSI { 949} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 3.400 1.600 2.300 peak 949 spectrum 1 weight 0.10000E+01 volume 0.93484E-03 ppm1 8.550 ppm2 4.099 CV 1 OR { 949} (( segid " " and resid 70 and name HN )) (( segid " " and resid 66 and name HA )) OR { 949} (( segid " " and resid 70 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 952} (( segid " " and resid 70 and name HN )) (( segid " " and resid 42 and name HD1 )) 5.600 3.800 0.400 peak 952 spectrum 1 weight 0.10000E+01 volume 0.25318E-03 ppm1 8.549 ppm2 7.301 CV 1 OR { 952} (( segid " " and resid 70 and name HN )) ( segid " " and resid 73 and name HE% ) ASSI { 953} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 3.200 1.400 2.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.56339E-03 ppm1 8.550 ppm2 8.040 CV 1 OR { 953} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HN )) ASSI { 958} (( segid " " and resid 71 and name HN )) (( segid " " and resid 78 and name HG1 )) 4.100 2.300 1.900 peak 958 spectrum 1 weight 0.10000E+01 volume 0.12812E-02 ppm1 8.033 ppm2 1.464 CV 1 OR { 958} (( segid " " and resid 71 and name HN )) (( segid " " and resid 82 and name HG11)) ASSI { 962} (( segid " " and resid 71 and name HN )) (( segid " " and resid 73 and name HB1 )) 6.000 4.200 0.000 peak 962 spectrum 1 weight 0.10000E+01 volume 0.18224E-03 ppm1 8.037 ppm2 3.031 CV 1 OR { 962} (( segid " " and resid 71 and name HN )) (( segid " " and resid 78 and name HE1 )) ASSI { 3520} (( segid " " and resid 71 and name HA )) (( segid " " and resid 68 and name HA )) 4.200 2.400 1.800 peak 3520 spectrum 1 weight 0.10000E+01 volume 0.62602E-03 ppm1 3.737 ppm2 4.101 CV 1 OR { 3520} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HA )) OR { 3520} (( segid " " and resid 71 and name HA )) (( segid " " and resid 80 and name HA )) ASSI { 3522} (( segid " " and resid 71 and name HA )) ( segid " " and resid 70 and name HE% ) 3.600 1.800 2.400 peak 3522 spectrum 1 weight 0.10000E+01 volume 0.93620E-03 ppm1 3.742 ppm2 1.401 CV 1 OR { 3522} (( segid " " and resid 71 and name HA )) (( segid " " and resid 78 and name HG2 )) ASSI { 3527} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HN )) 3.300 1.500 2.100 peak 3527 spectrum 1 weight 0.10000E+01 volume 0.75813E-03 ppm1 3.743 ppm2 8.062 CV 1 OR { 3527} (( segid " " and resid 71 and name HA )) (( segid " " and resid 78 and name HN )) ASSI { 3531} (( segid " " and resid 71 and name HB )) ( segid " " and resid 80 and name HG1%) 3.500 1.700 2.400 peak 3531 spectrum 1 weight 0.10000E+01 volume 0.34638E-02 ppm1 2.244 ppm2 0.865 CV 1 OR { 3531} (( segid " " and resid 71 and name HB )) ( segid " " and resid 82 and name HD1%) OR { 3531} (( segid " " and resid 71 and name HB )) ( segid " " and resid 30 and name HD1%) ASSI { 3534} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 68 and name HA )) 4.200 2.400 1.800 peak 3534 spectrum 1 weight 0.10000E+01 volume 0.92788E-03 ppm1 1.077 ppm2 4.128 CV 1 OR { 3534} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 69 and name HA )) OR { 3534} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 74 and name HA )) OR { 3534} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 80 and name HA )) ASSI { 3537} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 75 and name HB1 )) 3.600 1.800 2.400 peak 3537 spectrum 1 weight 0.10000E+01 volume 0.38255E-03 ppm1 1.076 ppm2 3.099 CV 1 OR { 3537} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 78 and name HE1 )) ASSI { 3538} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 68 and name HG2 )) 6.000 4.200 0.000 peak 3538 spectrum 1 weight 0.10000E+01 volume 0.88197E-04 ppm1 1.075 ppm2 2.658 CV 1 OR { 3538} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 79 and name HB2 )) ASSI { 3541} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 78 and name HG2 )) 3.700 1.900 2.300 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.93065E-03 ppm1 1.078 ppm2 1.433 CV 1 OR { 3541} ( segid " " and resid 71 and name HG1%) ( segid " " and resid 70 and name HE% ) ASSI { 3543} ( segid " " and resid 71 and name HG1%) ( segid " " and resid 30 and name HD1%) 3.800 2.000 2.200 peak 3543 spectrum 1 weight 0.10000E+01 volume 0.12826E-02 ppm1 1.077 ppm2 0.863 CV 1 OR { 3543} ( segid " " and resid 71 and name HG1%) ( segid " " and resid 80 and name HG1%) OR { 3543} ( segid " " and resid 71 and name HG1%) ( segid " " and resid 82 and name HD1%) ASSI { 3544} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 79 and name HN )) 5.200 3.400 0.800 peak 3544 spectrum 1 weight 0.10000E+01 volume 0.35612E-03 ppm1 1.077 ppm2 8.524 CV 1 OR { 3544} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 70 and name HN )) ASSI { 3545} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 78 and name HN )) 4.000 2.200 2.000 peak 3545 spectrum 1 weight 0.10000E+01 volume 0.90840E-03 ppm1 1.076 ppm2 8.073 CV 1 OR { 3545} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 75 and name HN )) OR { 3545} ( segid " " and resid 71 and name HG1%) (( segid " " and resid 80 and name HN )) ASSI { 3549} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 68 and name HA )) 3.500 1.700 2.500 peak 3549 spectrum 1 weight 0.10000E+01 volume 0.75116E-03 ppm1 1.179 ppm2 4.121 CV 1 OR { 3549} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 69 and name HA )) OR { 3549} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 74 and name HA )) ASSI { 3551} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 75 and name HB1 )) 4.500 2.700 1.500 peak 3551 spectrum 1 weight 0.10000E+01 volume 0.77347E-03 ppm1 1.181 ppm2 3.085 CV 1 OR { 3551} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 78 and name HE1 )) ASSI { 3554} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 30 and name HB )) 4.000 2.200 2.000 peak 3554 spectrum 1 weight 0.10000E+01 volume 0.51331E-03 ppm1 1.170 ppm2 2.022 CV 1 OR { 3554} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 80 and name HB )) ASSI { 3555} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 70 and name HB2 )) 3.300 1.500 2.200 peak 3555 spectrum 1 weight 0.10000E+01 volume 0.14467E-02 ppm1 1.180 ppm2 1.787 CV 1 OR { 3555} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 78 and name HB1 )) ASSI { 3556} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 78 and name HG1 )) 2.800 1.000 1.500 peak 3556 spectrum 1 weight 0.10000E+01 volume 0.58011E-02 ppm1 1.166 ppm2 1.518 CV 1 OR { 3556} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 29 and name HG2 )) OR { 3556} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 82 and name HG11)) ASSI { 3558} ( segid " " and resid 71 and name HG2%) ( segid " " and resid 30 and name HD1%) 3.000 1.200 1.800 peak 3558 spectrum 1 weight 0.10000E+01 volume 0.22535E-02 ppm1 1.180 ppm2 0.854 CV 1 OR { 3558} ( segid " " and resid 71 and name HG2%) ( segid " " and resid 80 and name HG1%) OR { 3558} ( segid " " and resid 71 and name HG2%) ( segid " " and resid 82 and name HD1%) ASSI { 3560} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 70 and name HN )) 4.700 2.900 1.300 peak 3560 spectrum 1 weight 0.10000E+01 volume 0.51331E-03 ppm1 1.179 ppm2 8.535 CV 1 OR { 3560} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 79 and name HN )) ASSI { 3561} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 75 and name HN )) 3.700 1.900 2.300 peak 3561 spectrum 1 weight 0.10000E+01 volume 0.13869E-02 ppm1 1.179 ppm2 8.057 CV 1 OR { 3561} ( segid " " and resid 71 and name HG2%) (( segid " " and resid 78 and name HN )) ASSI { 964} (( segid " " and resid 72 and name HN )) ( segid " " and resid 82 and name HD1%) 4.500 2.700 1.500 peak 964 spectrum 1 weight 0.10000E+01 volume 0.53279E-03 ppm1 8.174 ppm2 0.841 CV 1 OR { 964} (( segid " " and resid 72 and name HN )) ( segid " " and resid 30 and name HD1%) ASSI { 966} (( segid " " and resid 72 and name HN )) (( segid " " and resid 78 and name HG2 )) 3.000 1.200 1.800 peak 966 spectrum 1 weight 0.10000E+01 volume 0.79990E-03 ppm1 8.171 ppm2 1.442 CV 1 OR { 966} (( segid " " and resid 72 and name HN )) ( segid " " and resid 70 and name HE% ) ASSI { 967} (( segid " " and resid 72 and name HN )) (( segid " " and resid 78 and name HB1 )) 4.400 2.600 1.600 peak 967 spectrum 1 weight 0.10000E+01 volume 0.32273E-03 ppm1 8.172 ppm2 1.798 CV 1 OR { 967} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HB2 )) ASSI { 968} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB )) 3.100 1.300 1.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.10642E-02 ppm1 8.171 ppm2 2.280 CV 1 OR { 968} (( segid " " and resid 72 and name HN )) (( segid " " and resid 68 and name HB2 )) OR { 968} (( segid " " and resid 72 and name HN )) (( segid " " and resid 76 and name HB2 )) ASSI { 969} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HB1 )) 6.000 4.200 0.000 peak 969 spectrum 1 weight 0.10000E+01 volume 0.15580E-03 ppm1 8.170 ppm2 3.047 CV 1 OR { 969} (( segid " " and resid 72 and name HN )) (( segid " " and resid 78 and name HE1 )) ASSI { 970} (( segid " " and resid 72 and name HN )) (( segid " " and resid 75 and name HB2 )) 5.700 3.900 0.300 peak 970 spectrum 1 weight 0.10000E+01 volume 0.14328E-03 ppm1 8.171 ppm2 3.379 CV 1 OR { 970} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 976} (( segid " " and resid 72 and name HN )) ( segid " " and resid 73 and name HE% ) 5.700 3.900 0.300 peak 976 spectrum 1 weight 0.10000E+01 volume 0.30187E-03 ppm1 8.171 ppm2 7.310 CV 1 OR { 976} (( segid " " and resid 72 and name HN )) (( segid " " and resid 42 and name HD1 )) ASSI { 979} (( segid " " and resid 72 and name HN )) (( segid " " and resid 76 and name HN )) 4.300 2.500 1.700 peak 979 spectrum 1 weight 0.10000E+01 volume 0.20727E-03 ppm1 8.170 ppm2 7.658 CV 1 OR { 979} (( segid " " and resid 72 and name HN )) (( segid " " and resid 68 and name HE21)) ASSI { 3570} (( segid " " and resid 72 and name HA )) (( segid " " and resid 75 and name HB1 )) 2.500 0.700 3.500 peak 3570 spectrum 1 weight 0.10000E+01 volume 0.40203E-02 ppm1 4.228 ppm2 3.132 CV 1 OR { 3570} (( segid " " and resid 72 and name HA )) (( segid " " and resid 81 and name HB2 )) ASSI { 3571} (( segid " " and resid 72 and name HA )) (( segid " " and resid 78 and name HE1 )) 5.100 3.300 0.900 peak 3571 spectrum 1 weight 0.10000E+01 volume 0.79294E-03 ppm1 4.228 ppm2 3.038 CV 1 OR { 3571} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HB1 )) ASSI { 3572} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HG1 )) 3.400 1.600 2.300 peak 3572 spectrum 1 weight 0.10000E+01 volume 0.33665E-02 ppm1 4.232 ppm2 2.317 CV 1 OR { 3572} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HB2 )) OR { 3572} (( segid " " and resid 72 and name HA )) (( segid " " and resid 68 and name HB2 )) OR { 3572} (( segid " " and resid 72 and name HA )) (( segid " " and resid 69 and name HB1 )) OR { 3572} (( segid " " and resid 72 and name HA )) (( segid " " and resid 69 and name HG1 )) ASSI { 3574} (( segid " " and resid 72 and name HA )) (( segid " " and resid 78 and name HG1 )) 1.900 0.100 0.700 peak 3574 spectrum 1 weight 0.10000E+01 volume 0.53418E-02 ppm1 4.238 ppm2 1.517 CV 1 OR { 3574} (( segid " " and resid 72 and name HA )) (( segid " " and resid 82 and name HG11)) ASSI { 3577} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 2.200 0.400 1.000 peak 3577 spectrum 1 weight 0.10000E+01 volume 0.60372E-02 ppm1 4.227 ppm2 8.140 CV 1 OR { 3577} (( segid " " and resid 72 and name HA )) (( segid " " and resid 80 and name HN )) ASSI { 3579} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 69 and name HB1 )) 3.400 1.600 2.400 peak 3579 spectrum 1 weight 0.10000E+01 volume 0.23231E-02 ppm1 4.053 ppm2 2.321 CV 1 OR { 3579} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 69 and name HG1 )) OR { 3579} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 68 and name HB2 )) OR { 3579} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 76 and name HB2 )) OR { 3579} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 83 and name HG2 )) ASSI { 3583} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 73 and name HB2 )) 3.600 1.800 2.400 peak 3583 spectrum 1 weight 0.10000E+01 volume 0.14607E-02 ppm1 4.055 ppm2 3.421 CV 1 OR { 3583} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 75 and name HB2 )) ASSI { 3584} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 73 and name HB1 )) 4.400 2.600 1.600 peak 3584 spectrum 1 weight 0.10000E+01 volume 0.19754E-02 ppm1 4.053 ppm2 3.038 CV 1 OR { 3584} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 78 and name HE1 )) ASSI { 987} (( segid " " and resid 73 and name HN )) ( segid " " and resid 73 and name HE% ) 4.300 2.500 1.700 peak 987 spectrum 1 weight 0.10000E+01 volume 0.12909E-02 ppm1 8.317 ppm2 7.265 CV 1 OR { 987} (( segid " " and resid 73 and name HN )) (( segid " " and resid 42 and name HD1 )) ASSI { 3590} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HG1 )) 2.600 0.800 1.300 peak 3590 spectrum 1 weight 0.10000E+01 volume 0.66909E-02 ppm1 4.345 ppm2 2.315 CV 1 OR { 3590} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HB2 )) OR { 3590} (( segid " " and resid 73 and name HA )) (( segid " " and resid 69 and name HB1 )) OR { 3590} (( segid " " and resid 73 and name HA )) (( segid " " and resid 69 and name HG1 )) ASSI { 3593} (( segid " " and resid 73 and name HA )) ( segid " " and resid 74 and name HD2%) 3.800 2.000 2.200 peak 3593 spectrum 1 weight 0.10000E+01 volume 0.13285E-02 ppm1 4.347 ppm2 0.683 CV 1 OR { 3593} (( segid " " and resid 73 and name HA )) ( segid " " and resid 34 and name HD1%) OR { 3593} (( segid " " and resid 73 and name HA )) ( segid " " and resid 30 and name HG2%) ASSI { 3597} (( segid " " and resid 73 and name HA )) ( segid " " and resid 73 and name HE% ) 3.500 1.700 2.500 peak 3597 spectrum 1 weight 0.10000E+01 volume 0.22535E-02 ppm1 4.353 ppm2 7.274 CV 1 OR { 3597} (( segid " " and resid 73 and name HA )) (( segid " " and resid 42 and name HD1 )) ASSI { 992} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG )) 2.800 1.000 1.600 peak 992 spectrum 1 weight 0.10000E+01 volume 0.95012E-03 ppm1 8.482 ppm2 1.760 CV 1 OR { 992} (( segid " " and resid 74 and name HN )) (( segid " " and resid 70 and name HB2 )) ASSI { 994} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.800 1.000 1.600 peak 994 spectrum 1 weight 0.10000E+01 volume 0.84858E-03 ppm1 8.484 ppm2 3.397 CV 1 OR { 994} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 995} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB1 )) 3.400 1.600 2.300 peak 995 spectrum 1 weight 0.10000E+01 volume 0.12631E-02 ppm1 8.484 ppm2 3.050 CV 1 OR { 995} (( segid " " and resid 74 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 997} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 3.200 1.400 2.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.58289E-03 ppm1 8.482 ppm2 4.067 CV 1 OR { 997} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HB1 )) ASSI { 1003} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 3.300 1.500 2.100 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.50358E-03 ppm1 8.477 ppm2 8.046 CV 1 OR { 1003} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HN )) ASSI { 3600} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HA )) 3.800 2.000 2.200 peak 3600 spectrum 1 weight 0.10000E+01 volume 0.12965E-03 ppm1 0.468 ppm2 4.086 CV 1 OR { 3600} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 39 and name HA )) ASSI { 3601} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG )) 3.700 1.900 2.300 peak 3601 spectrum 1 weight 0.10000E+01 volume 0.44237E-03 ppm1 0.483 ppm2 1.763 CV 1 OR { 3601} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 70 and name HB2 )) ASSI { 3607} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 39 and name HE3 )) 4.800 3.000 1.200 peak 3607 spectrum 1 weight 0.10000E+01 volume 0.26848E-03 ppm1 0.470 ppm2 7.362 CV 1 OR { 3607} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 75 and name HE% ) ASSI { 3608} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HA )) 4.000 2.200 2.000 peak 3608 spectrum 1 weight 0.10000E+01 volume 0.21284E-03 ppm1 1.342 ppm2 4.117 CV 1 OR { 3608} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 39 and name HA )) ASSI { 3616} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 39 and name HA )) 3.800 2.000 2.200 peak 3616 spectrum 1 weight 0.10000E+01 volume 0.98210E-03 ppm1 0.799 ppm2 4.081 CV 1 OR { 3616} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 3618} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 39 and name HB1 )) 2.300 0.500 3.700 peak 3618 spectrum 1 weight 0.10000E+01 volume 0.28100E-03 ppm1 0.796 ppm2 3.432 CV 1 OR { 3618} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 75 and name HB2 )) ASSI { 3619} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 42 and name HB2 )) 4.500 2.700 1.500 peak 3619 spectrum 1 weight 0.10000E+01 volume 0.54253E-03 ppm1 0.799 ppm2 3.076 CV 1 OR { 3619} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 73 and name HB1 )) ASSI { 3621} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 70 and name HG1 )) 1.800 0.000 4.200 peak 3621 spectrum 1 weight 0.10000E+01 volume 0.15719E-02 ppm1 0.803 ppm2 2.212 CV 1 OR { 3621} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 71 and name HB )) OR { 3621} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 67 and name HG1 )) ASSI { 3634} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 73 and name HB2 )) 2.300 0.500 3.700 peak 3634 spectrum 1 weight 0.10000E+01 volume 0.25596E-03 ppm1 0.662 ppm2 3.398 CV 1 OR { 3634} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 39 and name HB1 )) OR { 3634} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 75 and name HB2 )) ASSI { 3635} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 42 and name HB2 )) 3.000 1.200 1.800 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.10851E-02 ppm1 0.662 ppm2 3.084 CV 1 OR { 3635} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 73 and name HB1 )) ASSI { 3637} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 76 and name HB2 )) 2.200 0.400 3.800 peak 3637 spectrum 1 weight 0.10000E+01 volume 0.39507E-03 ppm1 0.660 ppm2 2.338 CV 1 OR { 3637} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 69 and name HB1 )) OR { 3637} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 76 and name HG1 )) OR { 3637} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 69 and name HG1 )) OR { 3637} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 17 and name HB1 )) OR { 3637} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 20 and name HG2 )) OR { 3637} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 68 and name HB2 )) ASSI { 1008} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HG )) 4.300 2.500 1.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.52445E-03 ppm1 8.044 ppm2 1.753 CV 1 OR { 1008} (( segid " " and resid 75 and name HN )) (( segid " " and resid 78 and name HD1 )) ASSI { 1009} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HB2 )) 3.900 2.100 2.100 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.79848E-03 ppm1 8.045 ppm2 2.318 CV 1 OR { 1009} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HG1 )) OR { 1009} (( segid " " and resid 75 and name HN )) (( segid " " and resid 69 and name HB1 )) ASSI { 1011} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.300 1.500 2.200 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.54114E-03 ppm1 8.045 ppm2 3.395 CV 1 OR { 1011} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 1013} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 3.200 1.400 2.100 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.86527E-03 ppm1 8.045 ppm2 4.077 CV 1 OR { 1013} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HB1 )) ASSI { 1031} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HA )) 3.600 1.800 2.400 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.81377E-03 ppm1 7.654 ppm2 4.054 CV 1 OR { 1031} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HB1 )) OR { 1031} (( segid " " and resid 76 and name HN )) (( segid " " and resid 8 and name HA )) ASSI { 3656} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 75 and name HB2 )) 1.900 0.100 4.100 peak 3656 spectrum 1 weight 0.10000E+01 volume 0.81937E-03 ppm1 2.318 ppm2 3.387 CV 1 OR { 3656} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 73 and name HB2 )) OR { 3656} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 11 and name HA )) ASSI { 3662} (( segid " " and resid 76 and name HG1 )) (( segid " " and resid 77 and name HA1 )) 3.500 1.700 2.500 peak 3662 spectrum 1 weight 0.10000E+01 volume 0.23649E-02 ppm1 2.308 ppm2 4.020 CV 1 OR { 3662} (( segid " " and resid 76 and name HG1 )) (( segid " " and resid 72 and name HB1 )) ASSI { 1041} (( segid " " and resid 77 and name HN )) ( segid " " and resid 82 and name HD1%) 6.000 4.200 0.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.22814E-03 ppm1 8.750 ppm2 0.843 CV 1 OR { 1041} (( segid " " and resid 77 and name HN )) ( segid " " and resid 80 and name HG1%) ASSI { 1045} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB2 )) 3.500 1.700 2.500 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.11518E-02 ppm1 8.750 ppm2 2.324 CV 1 OR { 1045} (( segid " " and resid 77 and name HN )) (( segid " " and resid 68 and name HB2 )) OR { 1045} (( segid " " and resid 77 and name HN )) (( segid " " and resid 69 and name HG1 )) ASSI { 1046} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HB1 )) 5.400 3.600 0.600 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.12075E-03 ppm1 8.749 ppm2 3.072 CV 1 OR { 1046} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HE1 )) ASSI { 1047} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.000 1.200 1.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.55644E-04 ppm1 8.754 ppm2 3.394 CV 1 OR { 1047} (( segid " " and resid 77 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 3672} (( segid " " and resid 77 and name HA1 )) (( segid " " and resid 76 and name HG1 )) 2.300 0.500 3.700 peak 3672 spectrum 1 weight 0.10000E+01 volume 0.94593E-03 ppm1 4.026 ppm2 2.316 CV 1 OR { 3672} (( segid " " and resid 77 and name HA1 )) (( segid " " and resid 76 and name HB2 )) OR { 3672} (( segid " " and resid 77 and name HA1 )) (( segid " " and resid 68 and name HB2 )) OR { 3672} (( segid " " and resid 77 and name HA1 )) (( segid " " and resid 69 and name HB1 )) OR { 3672} (( segid " " and resid 77 and name HA1 )) (( segid " " and resid 69 and name HG1 )) ASSI { 1057} (( segid " " and resid 78 and name HN )) (( segid " " and resid 68 and name HB2 )) 3.400 1.600 2.400 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.11379E-02 ppm1 8.096 ppm2 2.320 CV 1 OR { 1057} (( segid " " and resid 78 and name HN )) (( segid " " and resid 69 and name HG1 )) OR { 1057} (( segid " " and resid 78 and name HN )) (( segid " " and resid 69 and name HB1 )) OR { 1057} (( segid " " and resid 78 and name HN )) (( segid " " and resid 83 and name HG2 )) ASSI { 1059} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HB2 )) 2.400 0.600 3.600 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.19058E-03 ppm1 8.095 ppm2 3.390 CV 1 OR { 1059} (( segid " " and resid 78 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 3681} (( segid " " and resid 78 and name HA )) (( segid " " and resid 77 and name HA1 )) 5.100 3.300 0.900 peak 3681 spectrum 1 weight 0.10000E+01 volume 0.18641E-03 ppm1 4.446 ppm2 4.021 CV 1 OR { 3681} (( segid " " and resid 78 and name HA )) (( segid " " and resid 72 and name HB1 )) ASSI { 3683} (( segid " " and resid 78 and name HA )) (( segid " " and resid 79 and name HB2 )) 5.000 3.200 1.000 peak 3683 spectrum 1 weight 0.10000E+01 volume 0.76231E-03 ppm1 4.439 ppm2 2.607 CV 1 OR { 3683} (( segid " " and resid 78 and name HA )) (( segid " " and resid 68 and name HG2 )) ASSI { 3686} (( segid " " and resid 78 and name HA )) ( segid " " and resid 80 and name HG1%) 4.800 3.000 1.200 peak 3686 spectrum 1 weight 0.10000E+01 volume 0.10906E-02 ppm1 4.437 ppm2 0.854 CV 1 OR { 3686} (( segid " " and resid 78 and name HA )) ( segid " " and resid 82 and name HD1%) ASSI { 3691} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HN )) 3.200 1.400 2.000 peak 3691 spectrum 1 weight 0.10000E+01 volume 0.11393E-02 ppm1 4.438 ppm2 8.125 CV 1 OR { 3691} (( segid " " and resid 78 and name HA )) (( segid " " and resid 80 and name HN )) ASSI { 3696} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 78 and name HG1 )) 2.000 0.200 0.800 peak 3696 spectrum 1 weight 0.10000E+01 volume 0.79429E-02 ppm1 1.811 ppm2 1.483 CV 1 OR { 3696} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 82 and name HG11)) ASSI { 3698} (( segid " " and resid 78 and name HB1 )) ( segid " " and resid 80 and name HG1%) 5.100 3.300 0.900 peak 3698 spectrum 1 weight 0.10000E+01 volume 0.63434E-03 ppm1 1.810 ppm2 0.893 CV 1 OR { 3698} (( segid " " and resid 78 and name HB1 )) ( segid " " and resid 82 and name HD1%) ASSI { 3700} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 78 and name HN )) 3.100 1.300 1.900 peak 3700 spectrum 1 weight 0.10000E+01 volume 0.11226E-02 ppm1 1.813 ppm2 8.124 CV 1 OR { 3700} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 80 and name HN )) ASSI { 3703} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 80 and name HA )) 5.100 3.300 0.900 peak 3703 spectrum 1 weight 0.10000E+01 volume 0.55226E-03 ppm1 1.901 ppm2 4.059 CV 1 OR { 3703} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 72 and name HB1 )) ASSI { 3704} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HE1 )) 4.600 2.800 1.400 peak 3704 spectrum 1 weight 0.10000E+01 volume 0.32552E-03 ppm1 1.883 ppm2 3.077 CV 1 OR { 3704} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 75 and name HB1 )) ASSI { 3706} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HG1 )) 2.000 0.200 0.800 peak 3706 spectrum 1 weight 0.10000E+01 volume 0.10447E-01 ppm1 1.897 ppm2 1.498 CV 1 OR { 3706} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 82 and name HG11)) ASSI { 3709} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 80 and name HN )) 2.900 1.100 1.600 peak 3709 spectrum 1 weight 0.10000E+01 volume 0.14050E-02 ppm1 1.897 ppm2 8.124 CV 1 OR { 3709} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HN )) ASSI { 3712} (( segid " " and resid 78 and name HD1 )) (( segid " " and resid 68 and name HA )) 3.100 1.300 1.900 peak 3712 spectrum 1 weight 0.10000E+01 volume 0.39646E-02 ppm1 1.707 ppm2 4.120 CV 1 OR { 3712} (( segid " " and resid 78 and name HD1 )) (( segid " " and resid 80 and name HA )) OR { 3712} (( segid " " and resid 78 and name HD1 )) (( segid " " and resid 69 and name HA )) ASSI { 3714} (( segid " " and resid 78 and name HD1 )) (( segid " " and resid 80 and name HN )) 3.900 2.100 2.100 peak 3714 spectrum 1 weight 0.10000E+01 volume 0.17945E-02 ppm1 1.713 ppm2 8.120 CV 1 OR { 3714} (( segid " " and resid 78 and name HD1 )) (( segid " " and resid 78 and name HN )) ASSI { 1069} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.100 1.300 2.000 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.47019E-02 ppm1 8.565 ppm2 2.635 CV 1 OR { 1069} (( segid " " and resid 79 and name HN )) (( segid " " and resid 68 and name HG2 )) ASSI { 1073} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HN )) 2.600 0.800 1.400 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.57032E-03 ppm1 8.564 ppm2 8.104 CV 1 OR { 1073} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) ASSI { 3728} (( segid " " and resid 79 and name HA )) (( segid " " and resid 78 and name HG1 )) 3.100 1.300 2.900 peak 3728 spectrum 1 weight 0.10000E+01 volume 0.34638E-02 ppm1 4.668 ppm2 1.488 CV 1 OR { 3728} (( segid " " and resid 79 and name HA )) (( segid " " and resid 82 and name HG11)) ASSI { 3730} (( segid " " and resid 79 and name HA )) ( segid " " and resid 80 and name HG1%) 4.300 2.500 1.700 peak 3730 spectrum 1 weight 0.10000E+01 volume 0.10099E-02 ppm1 4.654 ppm2 0.860 CV 1 OR { 3730} (( segid " " and resid 79 and name HA )) ( segid " " and resid 82 and name HD1%) ASSI { 3736} (( segid " " and resid 80 and name HA )) (( segid " " and resid 81 and name HA )) 4.300 2.500 1.700 peak 3736 spectrum 1 weight 0.10000E+01 volume 0.47714E-03 ppm1 4.093 ppm2 4.673 CV 1 OR { 3736} (( segid " " and resid 80 and name HA )) (( segid " " and resid 79 and name HA )) ASSI { 3741} (( segid " " and resid 80 and name HA )) (( segid " " and resid 68 and name HB2 )) 3.300 1.500 2.700 peak 3741 spectrum 1 weight 0.10000E+01 volume 0.73311E-02 ppm1 4.095 ppm2 2.264 CV 1 OR { 3741} (( segid " " and resid 80 and name HA )) (( segid " " and resid 71 and name HB )) ASSI { 3749} (( segid " " and resid 80 and name HB )) (( segid " " and resid 85 and name HN )) 2.500 0.700 3.500 peak 3749 spectrum 1 weight 0.10000E+01 volume 0.91118E-02 ppm1 2.018 ppm2 8.181 CV 1 OR { 3749} (( segid " " and resid 80 and name HB )) (( segid " " and resid 72 and name HN )) ASSI { 1088} (( segid " " and resid 81 and name HN )) (( segid " " and resid 84 and name HA1 )) 4.100 2.300 1.900 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.14050E-02 ppm1 8.664 ppm2 4.050 CV 1 OR { 1088} (( segid " " and resid 81 and name HN )) (( segid " " and resid 72 and name HB1 )) ASSI { 1091} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HD2 )) 5.500 3.700 0.500 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.12589E-03 ppm1 8.660 ppm2 7.088 CV 1 OR { 1091} (( segid " " and resid 81 and name HN )) (( segid " " and resid 68 and name HE22)) OR { 1091} (( segid " " and resid 81 and name HN )) ( segid " " and resid 85 and name HE% ) ASSI { 3755} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HD2 )) 4.100 2.300 1.900 peak 3755 spectrum 1 weight 0.10000E+01 volume 0.37559E-03 ppm1 4.711 ppm2 7.063 CV 1 OR { 3755} (( segid " " and resid 81 and name HA )) (( segid " " and resid 68 and name HE22)) ASSI { 3761} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HD2 )) 3.800 2.000 2.200 peak 3761 spectrum 1 weight 0.10000E+01 volume 0.11170E-02 ppm1 3.153 ppm2 7.067 CV 1 OR { 3761} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 68 and name HE22)) ASSI { 1099} (( segid " " and resid 82 and name HN )) (( segid " " and resid 78 and name HE1 )) 3.500 1.700 2.500 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.92227E-03 ppm1 8.281 ppm2 3.094 CV 1 OR { 1099} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB1 )) ASSI { 1100} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA )) 3.000 1.200 1.800 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.82492E-03 ppm1 8.286 ppm2 4.182 CV 1 OR { 1100} (( segid " " and resid 82 and name HN )) (( segid " " and resid 69 and name HA )) ASSI { 1103} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HD2 )) 4.200 2.400 1.800 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.15441E-03 ppm1 8.281 ppm2 7.087 CV 1 OR { 1103} (( segid " " and resid 82 and name HN )) (( segid " " and resid 68 and name HE22)) ASSI { 3763} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 69 and name HA )) 2.900 1.100 1.700 peak 3763 spectrum 1 weight 0.10000E+01 volume 0.62041E-03 ppm1 0.873 ppm2 4.181 CV 1 OR { 3763} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HA )) ASSI { 3764} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 81 and name HA )) 2.200 0.400 3.800 peak 3764 spectrum 1 weight 0.10000E+01 volume 0.33386E-03 ppm1 0.874 ppm2 4.680 CV 1 OR { 3764} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 79 and name HA )) ASSI { 3765} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 70 and name HA )) 2.300 0.500 3.700 peak 3765 spectrum 1 weight 0.10000E+01 volume 0.27822E-03 ppm1 0.871 ppm2 3.975 CV 1 OR { 3765} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 67 and name HA )) OR { 3765} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 77 and name HA1 )) OR { 3765} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 84 and name HA2 )) ASSI { 3767} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 78 and name HE1 )) 2.200 0.400 3.800 peak 3767 spectrum 1 weight 0.10000E+01 volume 0.37559E-03 ppm1 0.875 ppm2 3.077 CV 1 OR { 3767} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 73 and name HB1 )) OR { 3767} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 81 and name HB1 )) OR { 3767} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 75 and name HB1 )) ASSI { 3773} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 70 and name HN )) 2.000 0.200 4.000 peak 3773 spectrum 1 weight 0.10000E+01 volume 0.71500E-03 ppm1 0.875 ppm2 8.535 CV 1 OR { 3773} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 79 and name HN )) ASSI { 3774} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 78 and name HN )) 1.800 0.000 4.200 peak 3774 spectrum 1 weight 0.10000E+01 volume 0.12339E-02 ppm1 0.872 ppm2 8.093 CV 1 OR { 3774} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 80 and name HN )) ASSI { 3778} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 81 and name HD2 )) 1.900 0.100 4.100 peak 3778 spectrum 1 weight 0.10000E+01 volume 0.81795E-03 ppm1 0.871 ppm2 7.072 CV 1 OR { 3778} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 68 and name HE22)) OR { 3778} ( segid " " and resid 82 and name HD1%) ( segid " " and resid 9 and name HD% ) ASSI { 3780} (( segid " " and resid 82 and name HG12)) (( segid " " and resid 82 and name HB )) 3.000 1.200 1.900 peak 3780 spectrum 1 weight 0.10000E+01 volume 0.15580E-02 ppm1 1.177 ppm2 1.893 CV 1 OR { 3780} (( segid " " and resid 82 and name HG12)) (( segid " " and resid 65 and name HG )) ASSI { 3787} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 78 and name HE1 )) 2.600 0.800 3.400 peak 3787 spectrum 1 weight 0.10000E+01 volume 0.13215E-03 ppm1 0.932 ppm2 3.040 CV 1 OR { 3787} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 73 and name HB1 )) OR { 3787} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 53 and name HE1 )) OR { 3787} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 64 and name HE1 )) ASSI { 3792} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 72 and name HN )) 4.800 3.000 1.200 peak 3792 spectrum 1 weight 0.10000E+01 volume 0.61345E-03 ppm1 0.934 ppm2 8.185 CV 1 OR { 3792} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 85 and name HN )) ASSI { 1109} (( segid " " and resid 83 and name HN )) (( segid " " and resid 65 and name HB2 )) 3.400 1.600 2.400 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.17249E-02 ppm1 8.776 ppm2 2.051 CV 1 OR { 1109} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HB )) ASSI { 1110} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG2 )) 3.800 2.000 2.200 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.65245E-03 ppm1 8.776 ppm2 2.342 CV 1 OR { 1110} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB1 )) OR { 1110} (( segid " " and resid 83 and name HN )) (( segid " " and resid 69 and name HG1 )) ASSI { 1116} (( segid " " and resid 83 and name HN )) (( segid " " and resid 68 and name HE22)) 4.300 2.500 1.700 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.23092E-04 ppm1 8.777 ppm2 7.087 CV 1 OR { 1116} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HD2 )) ASSI { 1117} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HN )) 4.600 2.800 1.400 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.28379E-03 ppm1 8.776 ppm2 8.271 CV 1 OR { 1117} (( segid " " and resid 83 and name HN )) (( segid " " and resid 86 and name HN )) ASSI { 1140} (( segid " " and resid 85 and name HN )) (( segid " " and resid 81 and name HD2 )) 3.400 1.600 2.300 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.11699E-02 ppm1 8.172 ppm2 7.090 CV 1 OR { 1140} (( segid " " and resid 85 and name HN )) (( segid " " and resid 68 and name HE22)) OR { 1140} (( segid " " and resid 85 and name HN )) ( segid " " and resid 85 and name HE% ) ASSI { 1152} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HB2 )) 2.800 1.000 1.500 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.23510E-02 ppm1 8.623 ppm2 2.034 CV 1 OR { 1152} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HG1 ))
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