NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
613908 |
5iir   |
30028 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 3: 44_new_noe.tbl
ASSI { 123}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 29 and name HN ))
3.411 0.682 0.682 peak 123 weight 1.00000E+00 volume 5.26022E+04 ppm1 7.284 ppm2 4.178
ASSI { 123}
(( segid " B" and resid 29 and name HA ))
(( segid " B" and resid 29 and name HN ))
3.411 0.682 0.682 peak 123 weight 1.00000E+00 volume 5.26022E+04 ppm1 7.284 ppm2 4.178
ASSI { 124}
(( segid " B" and resid 29 and name HB2 ))
(( segid " B" and resid 29 and name HN ))
2.845 0.569 0.569 peak 124 weight 1.00000E+00 volume 3.78517E+05 ppm1 7.287 ppm2 1.921
ASSI { 124}
(( segid " A" and resid 29 and name HB2 ))
(( segid " A" and resid 29 and name HN ))
2.845 0.569 0.569 peak 124 weight 1.00000E+00 volume 3.78517E+05 ppm1 7.287 ppm2 1.921
! ASSI { 125}
! (( segid " A" and resid 28 and name HA ))
! (( segid " A" and resid 28 and name HN ))
! 4.681 0.936 0.936 peak 125 weight 1.00000E+00 volume 1.13466E+03 ppm1 8.891 ppm2 3.812
!17HN
ASSI { 126}
(( segid " B" and resid 26 and name HA ))
(( segid " B" and resid 26 and name HN ))
3.229 0.646 0.646 peak 126 weight 1.00000E+00 volume 1.39476E+05 ppm1 7.863 ppm2 3.989
ASSI { 126}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 26 and name HN ))
3.229 0.646 0.646 peak 126 weight 1.00000E+00 volume 1.39476E+05 ppm1 7.863 ppm2 3.989
!11HN
ASSI { 144}
(( segid " A" and resid 29 and name HB1 ))
(( segid " A" and resid 29 and name HN ))
2.911 0.582 0.582 peak 144 weight 1.00000E+00 volume 2.01512E+05 ppm1 7.286 ppm2 1.700
ASSI { 144}
(( segid " B" and resid 29 and name HB1 ))
(( segid " B" and resid 29 and name HN ))
2.911 0.582 0.582 peak 144 weight 1.00000E+00 volume 2.01512E+05 ppm1 7.286 ppm2 1.700
ASSI { 217}
(( segid " B" and resid 33 and name HN ))
(( segid " B" and resid 33 and name HB2 ))
3.698 0.740 0.740 peak 217 weight 1.00000E+00 volume 3.61554E+04 ppm1 7.887 ppm2 2.265
ASSI { 217}
(( segid " A" and resid 33 and name HN ))
(( segid " A" and resid 33 and name HB2 ))
3.698 0.740 0.740 peak 217 weight 1.00000E+00 volume 3.61554E+04 ppm1 7.887 ppm2 2.265
!11HN
ASSI { 226}
(( segid " B" and resid 26 and name HB2 ))
(( segid " B" and resid 26 and name HN ))
3.576 0.715 0.715 peak 226 weight 1.00000E+00 volume 1.31256E+05 ppm1 7.866 ppm2 1.618
ASSI { 226}
(( segid " A" and resid 26 and name HB2 ))
(( segid " A" and resid 26 and name HN ))
3.576 0.715 0.715 peak 226 weight 1.00000E+00 volume 1.31256E+05 ppm1 7.866 ppm2 1.618
!11HN
ASSI { 231}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HA ))
3.158 0.632 0.632 peak 231 weight 1.00000E+00 volume 2.86480E+06 ppm1 7.517 ppm2 4.167
ASSI { 231}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 30 and name HA ))
3.158 0.632 0.632 peak 231 weight 1.00000E+00 volume 2.86480E+06 ppm1 7.517 ppm2 4.167
ASSI { 232}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HB2 ))
3.116 0.623 0.623 peak 232 weight 1.00000E+00 volume 3.10254E+06 ppm1 7.516 ppm2 1.629
ASSI { 232}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 30 and name HB2 ))
3.116 0.623 0.623 peak 232 weight 1.00000E+00 volume 3.10254E+06 ppm1 7.516 ppm2 1.629
ASSI { 233}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HG1 ))
3.261 0.652 0.652 peak 233 weight 1.00000E+00 volume 2.36395E+06 ppm1 7.864 ppm2 2.102
ASSI { 233}
(( segid " B" and resid 11 and name HN ))
(( segid " B" and resid 11 and name HG1 ))
3.261 0.652 0.652 peak 233 weight 1.00000E+00 volume 2.36395E+06 ppm1 7.864 ppm2 2.102
!26HG2
ASSI { 235}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 27 and name HA ))
4.035 0.807 0.807 peak 235 weight 1.00000E+00 volume 6.58975E+05 ppm1 8.918 ppm2 3.898
ASSI { 235}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 27 and name HA ))
4.035 0.807 0.807 peak 235 weight 1.00000E+00 volume 6.58975E+05 ppm1 8.918 ppm2 3.898
!7HA
ASSI { 236}
(( segid " B" and resid 3 and name HN ))
(( segid " B" and resid 2 and name HA ))
3.157 0.631 0.631 peak 236 weight 1.00000E+00 volume 2.87220E+06 ppm1 8.919 ppm2 4.600
ASSI { 236}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 2 and name HA ))
3.157 0.631 0.631 peak 236 weight 1.00000E+00 volume 2.87220E+06 ppm1 8.919 ppm2 4.600
!2HA
ASSI { 237}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HB1 ))
3.807 0.761 0.761 peak 237 weight 1.00000E+00 volume 9.33082E+05 ppm1 8.920 ppm2 2.504
ASSI { 237}
(( segid " B" and resid 3 and name HN ))
(( segid " B" and resid 3 and name HB1 ))
3.807 0.761 0.761 peak 237 weight 1.00000E+00 volume 9.33082E+05 ppm1 8.920 ppm2 2.504
ASSI { 238}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HB2 ))
2.849 0.570 0.570 peak 238 weight 1.00000E+00 volume 5.30976E+06 ppm1 8.919 ppm2 2.063
ASSI { 238}
(( segid " B" and resid 3 and name HN ))
(( segid " B" and resid 3 and name HB2 ))
2.849 0.570 0.570 peak 238 weight 1.00000E+00 volume 5.30976E+06 ppm1 8.919 ppm2 2.063
ASSI { 239}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 4 and name HN ))
3.789 0.758 0.758 peak 239 weight 1.00000E+00 volume 9.60948E+05 ppm1 8.919 ppm2 8.179
ASSI { 239}
(( segid " B" and resid 3 and name HN ))
(( segid " B" and resid 4 and name HN ))
3.789 0.758 0.758 peak 239 weight 1.00000E+00 volume 9.60948E+05 ppm1 8.919 ppm2 8.179
! ASSI { 240}
! (( segid " B" and resid 12 and name HN ))
! (( segid " A" and resid 5 and name HG1 ))
! 5.048 1.010 1.010 peak 240 weight 1.00000E+00 volume 1.71708E+05 ppm1 8.230 ppm2 2.450
ASSI { 241}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 4 and name HN ))
3.366 0.673 0.673 peak 241 weight 1.00000E+00 volume 1.95502E+06 ppm1 7.789 ppm2 8.246
ASSI { 241}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 4 and name HN ))
3.366 0.673 0.673 peak 241 weight 1.00000E+00 volume 1.95502E+06 ppm1 7.789 ppm2 8.246
ASSI { 242}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 7 and name HN ))
4.713 0.943 0.943 peak 242 weight 1.00000E+00 volume 2.59386E+05 ppm1 7.790 ppm2 8.534
ASSI { 242}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 7 and name HN ))
4.713 0.943 0.943 peak 242 weight 1.00000E+00 volume 2.59386E+05 ppm1 7.790 ppm2 8.534
ASSI { 243}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 5 and name HA ))
3.087 0.617 0.617 peak 243 weight 1.00000E+00 volume 3.28609E+06 ppm1 7.789 ppm2 4.084
ASSI { 243}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HA ))
3.087 0.617 0.617 peak 243 weight 1.00000E+00 volume 3.28609E+06 ppm1 7.789 ppm2 4.084
ASSI { 244}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HG1 ))
3.468 0.694 0.694 peak 244 weight 1.00000E+00 volume 1.63426E+06 ppm1 7.789 ppm2 2.408
ASSI { 244}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 5 and name HG1 ))
3.468 0.694 0.694 peak 244 weight 1.00000E+00 volume 1.63426E+06 ppm1 7.789 ppm2 2.408
ASSI { 245}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 6 and name HB2 ))
4.728 0.946 0.946 peak 245 weight 1.00000E+00 volume 2.54383E+05 ppm1 7.792 ppm2 1.401
ASSI { 245}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 6 and name HB2 ))
4.728 0.946 0.946 peak 245 weight 1.00000E+00 volume 2.54383E+05 ppm1 7.792 ppm2 1.401
ASSI { 246}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 7 and name HN ))
3.422 0.684 0.684 peak 246 weight 1.00000E+00 volume 1.76955E+06 ppm1 7.894 ppm2 8.541
ASSI { 246}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 7 and name HN ))
3.422 0.684 0.684 peak 246 weight 1.00000E+00 volume 1.76955E+06 ppm1 7.894 ppm2 8.541
ASSI { 247}
(( segid " B" and resid 6 and name HA ))
(( segid " B" and resid 6 and name HN ))
3.246 0.649 0.649 peak 247 weight 1.00000E+00 volume 2.42756E+06 ppm1 7.894 ppm2 4.143
ASSI { 247}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HN ))
3.246 0.649 0.649 peak 247 weight 1.00000E+00 volume 2.42756E+06 ppm1 7.894 ppm2 4.143
ASSI { 248}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 5 and name HG2 ))
4.267 0.853 0.853 peak 248 weight 1.00000E+00 volume 4.71104E+05 ppm1 7.894 ppm2 2.398
ASSI { 248}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 5 and name HG2 ))
4.267 0.853 0.853 peak 248 weight 1.00000E+00 volume 4.71104E+05 ppm1 7.894 ppm2 2.398
ASSI { 249}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 6 and name HB1 ))
2.946 0.589 0.589 peak 249 weight 1.00000E+00 volume 4.34945E+06 ppm1 7.894 ppm2 1.964
ASSI { 249}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB1 ))
2.946 0.589 0.589 peak 249 weight 1.00000E+00 volume 4.34945E+06 ppm1 7.894 ppm2 1.964
ASSI { 250}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 5 and name HB2 ))
3.332 0.666 0.666 peak 250 weight 1.00000E+00 volume 2.07859E+06 ppm1 7.895 ppm2 1.716
ASSI { 250}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 5 and name HB2 ))
3.332 0.666 0.666 peak 250 weight 1.00000E+00 volume 2.07859E+06 ppm1 7.895 ppm2 1.716
ASSI { 251}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 6 and name HB2 ))
3.547 0.709 0.709 peak 251 weight 1.00000E+00 volume 1.42787E+06 ppm1 7.893 ppm2 1.419
ASSI { 251}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB2 ))
3.547 0.709 0.709 peak 251 weight 1.00000E+00 volume 1.42787E+06 ppm1 7.893 ppm2 1.419
ASSI { 252}
(( segid " A" and resid 6 and name HN ))
( segid " A" and resid 6 and name HD1#)
3.550 0.710 0.710 peak 252 weight 1.00000E+00 volume 1.42098E+06 ppm1 7.895 ppm2 0.866
ASSI { 252}
(( segid " B" and resid 6 and name HN ))
( segid " B" and resid 6 and name HD1#)
3.550 0.710 0.710 peak 252 weight 1.00000E+00 volume 1.42098E+06 ppm1 7.895 ppm2 0.866
ASSI { 257}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 7 and name HN ))
3.183 0.637 0.637 peak 257 weight 1.00000E+00 volume 2.73064E+06 ppm1 8.571 ppm2 7.873
ASSI { 257}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 7 and name HN ))
3.183 0.637 0.637 peak 257 weight 1.00000E+00 volume 2.73064E+06 ppm1 8.571 ppm2 7.873
! ASSI { 258}
! (( segid " B" and resid 18 and name HN ))
! (( segid " B" and resid 7 and name HN ))
! 4.120 0.824 0.824 peak 258 weight 1.00000E+00 volume 5.81232E+05 ppm1 8.570 ppm2 8.250
ASSI { 259}
(( segid " B" and resid 8 and name HA ))
(( segid " B" and resid 8 and name HN ))
3.464 0.693 0.693 peak 259 weight 1.00000E+00 volume 1.64539E+06 ppm1 8.570 ppm2 4.354
ASSI { 259}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HN ))
3.464 0.693 0.693 peak 259 weight 1.00000E+00 volume 1.64539E+06 ppm1 8.570 ppm2 4.354
ASSI { 262}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HB2 ))
3.011 0.602 0.602 peak 262 weight 1.00000E+00 volume 3.81380E+06 ppm1 8.571 ppm2 2.694
ASSI { 262}
(( segid " B" and resid 8 and name HN ))
(( segid " B" and resid 8 and name HB2 ))
3.011 0.602 0.602 peak 262 weight 1.00000E+00 volume 3.81380E+06 ppm1 8.571 ppm2 2.694
ASSI { 264}
(( segid " B" and resid 7 and name HN ))
(( segid " B" and resid 6 and name HB2 ))
4.272 0.854 0.854 peak 264 weight 1.00000E+00 volume 4.67379E+05 ppm1 8.570 ppm2 1.426
ASSI { 264}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 6 and name HB2 ))
4.272 0.854 0.854 peak 264 weight 1.00000E+00 volume 4.67379E+05 ppm1 8.570 ppm2 1.426
! ASSI { 265}
! (( segid " B" and resid 7 and name HN ))
! (( segid " B" and resid 9 and name HB2 ))
! 4.157 0.831 0.831 peak 265 weight 1.00000E+00 volume 5.50948E+05 ppm1 8.572 ppm2 1.715
ASSI { 267}
(( segid " B" and resid 7 and name HN ))
(( segid " B" and resid 7 and name HG1 ))
2.799 0.560 0.560 peak 267 weight 1.00000E+00 volume 5.91171E+06 ppm1 8.571 ppm2 2.172
ASSI { 267}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HG1 ))
2.799 0.560 0.560 peak 267 weight 1.00000E+00 volume 5.91171E+06 ppm1 8.571 ppm2 2.172
ASSI { 268}
(( segid " B" and resid 9 and name HN ))
(( segid " B" and resid 10 and name HN ))
3.108 0.622 0.622 peak 268 weight 1.00000E+00 volume 3.15432E+06 ppm1 7.895 ppm2 8.400
ASSI { 268}
(( segid " A" and resid 9 and name HN ))
(( segid " A" and resid 10 and name HN ))
3.108 0.622 0.622 peak 268 weight 1.00000E+00 volume 3.15432E+06 ppm1 7.895 ppm2 8.400
ASSI { 269}
(( segid " B" and resid 9 and name HN ))
(( segid " B" and resid 9 and name HA ))
3.079 0.616 0.616 peak 269 weight 1.00000E+00 volume 3.33746E+06 ppm1 7.895 ppm2 4.182
ASSI { 269}
(( segid " A" and resid 9 and name HN ))
(( segid " A" and resid 9 and name HA ))
3.079 0.616 0.616 peak 269 weight 1.00000E+00 volume 3.33746E+06 ppm1 7.895 ppm2 4.182
ASSI { 270}
(( segid " B" and resid 9 and name HN ))
(( segid " B" and resid 9 and name HB1 ))
2.850 0.570 0.570 peak 270 weight 1.00000E+00 volume 5.30510E+06 ppm1 7.897 ppm2 2.008
ASSI { 270}
(( segid " A" and resid 9 and name HN ))
(( segid " A" and resid 9 and name HB1 ))
2.850 0.570 0.570 peak 270 weight 1.00000E+00 volume 5.30510E+06 ppm1 7.897 ppm2 2.008
ASSI { 272}
(( segid " A" and resid 9 and name HN ))
(( segid " A" and resid 9 and name HG2 ))
3.982 0.796 0.796 peak 272 weight 1.00000E+00 volume 7.13309E+05 ppm1 7.896 ppm2 1.495
ASSI { 272}
(( segid " B" and resid 9 and name HN ))
(( segid " B" and resid 9 and name HG2 ))
3.982 0.796 0.796 peak 272 weight 1.00000E+00 volume 7.13309E+05 ppm1 7.896 ppm2 1.495
ASSI { 273}
(( segid " A" and resid 9 and name HN ))
(( segid " A" and resid 8 and name HB2 ))
3.329 0.666 0.666 peak 273 weight 1.00000E+00 volume 2.08910E+06 ppm1 7.895 ppm2 2.706
ASSI { 273}
(( segid " B" and resid 9 and name HN ))
(( segid " B" and resid 8 and name HB2 ))
3.329 0.666 0.666 peak 273 weight 1.00000E+00 volume 2.08910E+06 ppm1 7.895 ppm2 2.706
ASSI { 274}
(( segid " A" and resid 9 and name HN ))
(( segid " A" and resid 9 and name HD2 ))
3.840 0.768 0.768 peak 274 weight 1.00000E+00 volume 8.86908E+05 ppm1 7.896 ppm2 0.886
ASSI { 274}
(( segid " B" and resid 9 and name HN ))
(( segid " B" and resid 9 and name HD2 ))
3.840 0.768 0.768 peak 274 weight 1.00000E+00 volume 8.86908E+05 ppm1 7.896 ppm2 0.886
ASSI { 275}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HA ))
3.938 0.788 0.788 peak 275 weight 1.00000E+00 volume 7.61744E+05 ppm1 8.409 ppm2 3.409
ASSI { 275}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 10 and name HA ))
3.938 0.788 0.788 peak 275 weight 1.00000E+00 volume 7.61744E+05 ppm1 8.409 ppm2 3.409
ASSI { 276}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HB ))
3.008 0.602 0.602 peak 276 weight 1.00000E+00 volume 3.83718E+06 ppm1 8.412 ppm2 2.213
ASSI { 276}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 10 and name HB ))
3.008 0.602 0.602 peak 276 weight 1.00000E+00 volume 3.83718E+06 ppm1 8.412 ppm2 2.213
ASSI { 277}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 9 and name HB1 ))
3.092 0.618 0.618 peak 277 weight 1.00000E+00 volume 3.24917E+06 ppm1 8.414 ppm2 1.997
ASSI { 277}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HB1 ))
3.092 0.618 0.618 peak 277 weight 1.00000E+00 volume 3.24917E+06 ppm1 8.414 ppm2 1.997
ASSI { 278}
(( segid " A" and resid 10 and name HN ))
( segid " A" and resid 10 and name HG1#)
3.273 0.655 0.655 peak 278 weight 1.00000E+00 volume 2.31180E+06 ppm1 8.411 ppm2 1.026
ASSI { 278}
(( segid " B" and resid 10 and name HN ))
( segid " B" and resid 10 and name HG1#)
3.273 0.655 0.655 peak 278 weight 1.00000E+00 volume 2.31180E+06 ppm1 8.411 ppm2 1.026
ASSI { 280}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 10 and name HN ))
3.165 0.633 0.633 peak 280 weight 1.00000E+00 volume 2.82540E+06 ppm1 8.410 ppm2 7.878
ASSI { 280}
(( segid " B" and resid 11 and name HN ))
(( segid " B" and resid 10 and name HN ))
3.165 0.633 0.633 peak 280 weight 1.00000E+00 volume 2.82540E+06 ppm1 8.410 ppm2 7.878
ASSI { 281}
(( segid " B" and resid 11 and name HN ))
(( segid " B" and resid 11 and name HA ))
3.269 0.654 0.654 peak 281 weight 1.00000E+00 volume 2.32922E+06 ppm1 7.855 ppm2 3.989
ASSI { 281}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HA ))
3.269 0.654 0.654 peak 281 weight 1.00000E+00 volume 2.32922E+06 ppm1 7.855 ppm2 3.989
ASSI { 282}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HB1 ))
2.722 0.544 0.544 peak 282 weight 1.00000E+00 volume 6.98314E+06 ppm1 7.855 ppm2 2.164
ASSI { 282}
(( segid " B" and resid 11 and name HN ))
(( segid " B" and resid 11 and name HB1 ))
2.722 0.544 0.544 peak 282 weight 1.00000E+00 volume 6.98314E+06 ppm1 7.855 ppm2 2.164
ASSI { 283}
(( segid " B" and resid 11 and name HN ))
(( segid " B" and resid 11 and name HG2 ))
3.384 0.677 0.677 peak 283 weight 1.00000E+00 volume 1.89101E+06 ppm1 7.856 ppm2 2.445
ASSI { 283}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HG2 ))
3.384 0.677 0.677 peak 283 weight 1.00000E+00 volume 1.89101E+06 ppm1 7.856 ppm2 2.445
ASSI { 285}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 11 and name HN ))
2.994 0.599 0.599 peak 285 weight 1.00000E+00 volume 3.94882E+06 ppm1 7.856 ppm2 8.248
ASSI { 285}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 11 and name HN ))
2.994 0.599 0.599 peak 285 weight 1.00000E+00 volume 3.94882E+06 ppm1 7.856 ppm2 8.248
ASSI { 286}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 12 and name HN ))
3.172 0.634 0.634 peak 286 weight 1.00000E+00 volume 2.78795E+06 ppm1 8.232 ppm2 7.806
ASSI { 286}
(( segid " B" and resid 15 and name HN ))
(( segid " B" and resid 12 and name HN ))
3.172 0.634 0.634 peak 286 weight 1.00000E+00 volume 2.78795E+06 ppm1 8.232 ppm2 7.806
ASSI { 287}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 12 and name HN ))
2.949 0.590 0.590 peak 287 weight 1.00000E+00 volume 4.32346E+06 ppm1 8.231 ppm2 4.108
ASSI { 287}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HN ))
2.949 0.590 0.590 peak 287 weight 1.00000E+00 volume 4.32346E+06 ppm1 8.231 ppm2 4.108
ASSI { 288}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HG2 ))
3.514 0.703 0.703 peak 288 weight 1.00000E+00 volume 1.50866E+06 ppm1 8.232 ppm2 2.392
ASSI { 288}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 12 and name HG2 ))
3.514 0.703 0.703 peak 288 weight 1.00000E+00 volume 1.50866E+06 ppm1 8.232 ppm2 2.392
ASSI { 289}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 12 and name HB2 ))
2.607 0.521 0.521 peak 289 weight 1.00000E+00 volume 9.05323E+06 ppm1 8.233 ppm2 2.151
ASSI { 289}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HB2 ))
2.607 0.521 0.521 peak 289 weight 1.00000E+00 volume 9.05323E+06 ppm1 8.233 ppm2 2.151
ASSI { 290}
(( segid " A" and resid 12 and name HN ))
( segid " A" and resid 13 and name HD1#)
4.750 0.950 0.950 peak 290 weight 1.00000E+00 volume 2.47562E+05 ppm1 8.232 ppm2 0.829
ASSI { 290}
(( segid " B" and resid 12 and name HN ))
( segid " B" and resid 13 and name HD1#)
4.750 0.950 0.950 peak 290 weight 1.00000E+00 volume 2.47562E+05 ppm1 8.232 ppm2 0.829
ASSI { 291}
(( segid " B" and resid 13 and name HN ))
(( segid " B" and resid 13 and name HA ))
3.225 0.645 0.645 peak 291 weight 1.00000E+00 volume 2.52814E+06 ppm1 8.644 ppm2 3.993
ASSI { 291}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HA ))
3.225 0.645 0.645 peak 291 weight 1.00000E+00 volume 2.52814E+06 ppm1 8.644 ppm2 3.993
ASSI { 292}
(( segid " B" and resid 13 and name HN ))
( segid " B" and resid 13 and name HD1#)
3.274 0.655 0.655 peak 292 weight 1.00000E+00 volume 2.30627E+06 ppm1 8.640 ppm2 0.823
ASSI { 292}
(( segid " A" and resid 13 and name HN ))
( segid " A" and resid 13 and name HD1#)
3.274 0.655 0.655 peak 292 weight 1.00000E+00 volume 2.30627E+06 ppm1 8.640 ppm2 0.823
ASSI { 293}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HB2 ))
3.639 0.728 0.728 peak 293 weight 1.00000E+00 volume 1.22301E+06 ppm1 8.641 ppm2 1.224
ASSI { 293}
(( segid " B" and resid 13 and name HN ))
(( segid " B" and resid 13 and name HB2 ))
3.639 0.728 0.728 peak 293 weight 1.00000E+00 volume 1.22301E+06 ppm1 8.641 ppm2 1.224
ASSI { 294}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HG ))
3.056 0.611 0.611 peak 294 weight 1.00000E+00 volume 3.49083E+06 ppm1 8.642 ppm2 1.898
ASSI { 294}
(( segid " B" and resid 13 and name HN ))
(( segid " B" and resid 13 and name HG ))
3.056 0.611 0.611 peak 294 weight 1.00000E+00 volume 3.49083E+06 ppm1 8.642 ppm2 1.898
ASSI { 295}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HB1 ))
2.973 0.595 0.595 peak 295 weight 1.00000E+00 volume 4.11560E+06 ppm1 8.641 ppm2 2.083
ASSI { 295}
(( segid " B" and resid 13 and name HN ))
(( segid " B" and resid 13 and name HB1 ))
2.973 0.595 0.595 peak 295 weight 1.00000E+00 volume 4.11560E+06 ppm1 8.641 ppm2 2.083
ASSI { 297}
(( segid " B" and resid 15 and name HN ))
(( segid " B" and resid 14 and name HN ))
3.509 0.702 0.702 peak 297 weight 1.00000E+00 volume 1.52213E+06 ppm1 8.998 ppm2 7.772
ASSI { 297}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 14 and name HN ))
3.509 0.702 0.702 peak 297 weight 1.00000E+00 volume 1.52213E+06 ppm1 8.998 ppm2 7.772
ASSI { 298}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 11 and name HN ))
3.994 0.799 0.799 peak 298 weight 1.00000E+00 volume 6.99681E+05 ppm1 8.996 ppm2 7.916
ASSI { 298}
(( segid " B" and resid 14 and name HN ))
(( segid " B" and resid 11 and name HN ))
3.994 0.799 0.799 peak 298 weight 1.00000E+00 volume 6.99681E+05 ppm1 8.996 ppm2 7.916
ASSI { 301}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HB1 ))
3.575 0.715 0.715 peak 301 weight 1.00000E+00 volume 1.36031E+06 ppm1 8.998 ppm2 1.390
ASSI { 301}
(( segid " B" and resid 14 and name HN ))
(( segid " B" and resid 14 and name HB1 ))
3.575 0.715 0.715 peak 301 weight 1.00000E+00 volume 1.36031E+06 ppm1 8.998 ppm2 1.390
ASSI { 303}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HA ))
3.325 0.665 0.665 peak 303 weight 1.00000E+00 volume 2.10177E+06 ppm1 9.000 ppm2 4.033
ASSI { 303}
(( segid " B" and resid 14 and name HN ))
(( segid " B" and resid 14 and name HA ))
3.325 0.665 0.665 peak 303 weight 1.00000E+00 volume 2.10177E+06 ppm1 9.000 ppm2 4.033
ASSI { 304}
(( segid " B" and resid 15 and name HN ))
( segid " B" and resid 14 and name HD1#)
4.067 0.813 0.813 peak 304 weight 1.00000E+00 volume 6.28025E+05 ppm1 7.788 ppm2 0.782
ASSI { 304}
(( segid " A" and resid 15 and name HN ))
( segid " A" and resid 14 and name HD1#)
4.067 0.813 0.813 peak 304 weight 1.00000E+00 volume 6.28025E+05 ppm1 7.788 ppm2 0.782
ASSI { 305}
(( segid " B" and resid 15 and name HN ))
(( segid " B" and resid 16 and name HN ))
3.527 0.705 0.705 peak 305 weight 1.00000E+00 volume 1.47565E+06 ppm1 8.335 ppm2 7.818
ASSI { 305}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 16 and name HN ))
3.527 0.705 0.705 peak 305 weight 1.00000E+00 volume 1.47565E+06 ppm1 8.335 ppm2 7.818
ASSI { 306}
(( segid " B" and resid 17 and name HN ))
(( segid " B" and resid 16 and name HN ))
3.512 0.702 0.702 peak 306 weight 1.00000E+00 volume 1.51517E+06 ppm1 8.333 ppm2 8.821
ASSI { 306}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HN ))
3.512 0.702 0.702 peak 306 weight 1.00000E+00 volume 1.51517E+06 ppm1 8.333 ppm2 8.821
ASSI { 307}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 16 and name HA ))
3.004 0.601 0.601 peak 307 weight 1.00000E+00 volume 3.86973E+06 ppm1 8.334 ppm2 4.145
ASSI { 307}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 16 and name HA ))
3.004 0.601 0.601 peak 307 weight 1.00000E+00 volume 3.86973E+06 ppm1 8.334 ppm2 4.145
ASSI { 308}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 16 and name HB1 ))
2.937 0.587 0.587 peak 308 weight 1.00000E+00 volume 4.43195E+06 ppm1 8.333 ppm2 1.885
ASSI { 308}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 16 and name HB1 ))
2.937 0.587 0.587 peak 308 weight 1.00000E+00 volume 4.43195E+06 ppm1 8.333 ppm2 1.885
ASSI { 309}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 16 and name HG2 ))
3.289 0.658 0.658 peak 309 weight 1.00000E+00 volume 2.24602E+06 ppm1 8.334 ppm2 1.628
ASSI { 309}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 16 and name HG2 ))
3.289 0.658 0.658 peak 309 weight 1.00000E+00 volume 2.24602E+06 ppm1 8.334 ppm2 1.628
ASSI { 310}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 16 and name HD2 ))
4.287 0.857 0.857 peak 310 weight 1.00000E+00 volume 4.57778E+05 ppm1 8.335 ppm2 0.794
ASSI { 310}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 16 and name HD2 ))
4.287 0.857 0.857 peak 310 weight 1.00000E+00 volume 4.57778E+05 ppm1 8.335 ppm2 0.794
ASSI { 311}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HB1 ))
3.430 0.686 0.686 peak 311 weight 1.00000E+00 volume 1.74588E+06 ppm1 8.856 ppm2 2.715
ASSI { 311}
(( segid " B" and resid 17 and name HN ))
(( segid " B" and resid 17 and name HB1 ))
3.430 0.686 0.686 peak 311 weight 1.00000E+00 volume 1.74588E+06 ppm1 8.856 ppm2 2.715
ASSI { 312}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 18 and name HN ))
3.529 0.706 0.706 peak 312 weight 1.00000E+00 volume 1.47096E+06 ppm1 8.283 ppm2 8.714
ASSI { 312}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 18 and name HN ))
3.529 0.706 0.706 peak 312 weight 1.00000E+00 volume 1.47096E+06 ppm1 8.283 ppm2 8.714
ASSI { 313}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 19 and name HN ))
3.193 0.639 0.639 peak 313 weight 1.00000E+00 volume 2.68148E+06 ppm1 8.282 ppm2 7.968
ASSI { 313}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 19 and name HN ))
3.193 0.639 0.639 peak 313 weight 1.00000E+00 volume 2.68148E+06 ppm1 8.282 ppm2 7.968
ASSI { 314}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 18 and name HA ))
3.088 0.618 0.618 peak 314 weight 1.00000E+00 volume 3.27863E+06 ppm1 8.283 ppm2 4.339
ASSI { 314}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 18 and name HA ))
3.088 0.618 0.618 peak 314 weight 1.00000E+00 volume 3.27863E+06 ppm1 8.283 ppm2 4.339
ASSI { 315}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 18 and name HB1 ))
2.755 0.551 0.551 peak 315 weight 1.00000E+00 volume 6.49367E+06 ppm1 8.286 ppm2 3.136
ASSI { 315}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 18 and name HB1 ))
2.755 0.551 0.551 peak 315 weight 1.00000E+00 volume 6.49367E+06 ppm1 8.286 ppm2 3.136
ASSI { 316}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 17 and name HB1 ))
3.636 0.727 0.727 peak 316 weight 1.00000E+00 volume 1.23046E+06 ppm1 8.283 ppm2 2.703
ASSI { 316}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HB1 ))
3.636 0.727 0.727 peak 316 weight 1.00000E+00 volume 1.23046E+06 ppm1 8.283 ppm2 2.703
ASSI { 317}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 19 and name HN ))
3.575 0.715 0.715 peak 317 weight 1.00000E+00 volume 1.36198E+06 ppm1 7.966 ppm2 8.655
ASSI { 317}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 19 and name HN ))
3.575 0.715 0.715 peak 317 weight 1.00000E+00 volume 1.36198E+06 ppm1 7.966 ppm2 8.655
ASSI { 318}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 19 and name HN ))
3.418 0.684 0.684 peak 318 weight 1.00000E+00 volume 1.78266E+06 ppm1 7.967 ppm2 8.262
ASSI { 318}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 19 and name HN ))
3.418 0.684 0.684 peak 318 weight 1.00000E+00 volume 1.78266E+06 ppm1 7.967 ppm2 8.262
ASSI { 319}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HB2 ))
2.999 0.600 0.600 peak 319 weight 1.00000E+00 volume 3.90829E+06 ppm1 7.967 ppm2 3.436
ASSI { 319}
(( segid " B" and resid 19 and name HN ))
(( segid " B" and resid 19 and name HB2 ))
2.999 0.600 0.600 peak 319 weight 1.00000E+00 volume 3.90829E+06 ppm1 7.967 ppm2 3.436
ASSI { 320}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HA ))
3.202 0.640 0.640 peak 320 weight 1.00000E+00 volume 2.63509E+06 ppm1 7.967 ppm2 4.342
ASSI { 320}
(( segid " B" and resid 19 and name HN ))
(( segid " B" and resid 19 and name HA ))
3.202 0.640 0.640 peak 320 weight 1.00000E+00 volume 2.63509E+06 ppm1 7.967 ppm2 4.342
ASSI { 321}
(( segid " B" and resid 20 and name HA ))
(( segid " B" and resid 19 and name HN ))
4.044 0.809 0.809 peak 321 weight 1.00000E+00 volume 6.49773E+05 ppm1 7.968 ppm2 4.054
ASSI { 321}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 19 and name HN ))
4.044 0.809 0.809 peak 321 weight 1.00000E+00 volume 6.49773E+05 ppm1 7.968 ppm2 4.054
ASSI { 322}
(( segid " B" and resid 19 and name HN ))
(( segid " B" and resid 18 and name HB1 ))
3.271 0.654 0.654 peak 322 weight 1.00000E+00 volume 2.31962E+06 ppm1 7.969 ppm2 3.139
ASSI { 322}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 18 and name HB1 ))
3.271 0.654 0.654 peak 322 weight 1.00000E+00 volume 2.31962E+06 ppm1 7.969 ppm2 3.139
ASSI { 323}
(( segid " B" and resid 22 and name HN ))
(( segid " B" and resid 20 and name HN ))
3.801 0.760 0.760 peak 323 weight 1.00000E+00 volume 9.43119E+05 ppm1 8.680 ppm2 7.823
ASSI { 323}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 20 and name HN ))
3.801 0.760 0.760 peak 323 weight 1.00000E+00 volume 9.43119E+05 ppm1 8.680 ppm2 7.823
ASSI { 324}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 20 and name HN ))
3.461 0.692 0.692 peak 324 weight 1.00000E+00 volume 1.65216E+06 ppm1 8.679 ppm2 4.015
ASSI { 324}
(( segid " B" and resid 20 and name HA ))
(( segid " B" and resid 20 and name HN ))
3.461 0.692 0.692 peak 324 weight 1.00000E+00 volume 1.65216E+06 ppm1 8.679 ppm2 4.015
ASSI { 325}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 19 and name HB2 ))
3.488 0.698 0.698 peak 325 weight 1.00000E+00 volume 1.57935E+06 ppm1 8.678 ppm2 3.421
ASSI { 325}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 19 and name HB2 ))
3.488 0.698 0.698 peak 325 weight 1.00000E+00 volume 1.57935E+06 ppm1 8.678 ppm2 3.421
ASSI { 326}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 20 and name HG ))
3.216 0.643 0.643 peak 326 weight 1.00000E+00 volume 2.56728E+06 ppm1 8.677 ppm2 2.059
ASSI { 326}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 20 and name HG ))
3.216 0.643 0.643 peak 326 weight 1.00000E+00 volume 2.56728E+06 ppm1 8.677 ppm2 2.059
ASSI { 327}
(( segid " B" and resid 20 and name HN ))
( segid " B" and resid 20 and name HD1#)
3.228 0.646 0.646 peak 327 weight 1.00000E+00 volume 2.51031E+06 ppm1 8.679 ppm2 0.838
ASSI { 327}
(( segid " A" and resid 20 and name HN ))
( segid " A" and resid 20 and name HD1#)
3.228 0.646 0.646 peak 327 weight 1.00000E+00 volume 2.51031E+06 ppm1 8.679 ppm2 0.838
ASSI { 328}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 20 and name HB2 ))
3.710 0.742 0.742 peak 328 weight 1.00000E+00 volume 1.08967E+06 ppm1 8.677 ppm2 1.255
ASSI { 328}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 20 and name HB2 ))
3.710 0.742 0.742 peak 328 weight 1.00000E+00 volume 1.08967E+06 ppm1 8.677 ppm2 1.255
! ASSI { 329}
! (( segid " B" and resid 21 and name HN ))
! (( segid " B" and resid 25 and name HN ))
! 4.193 0.839 0.839 peak 329 weight 1.00000E+00 volume 5.22833E+05 ppm1 8.856 ppm2 7.766
ASSI { 331}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 21 and name HN ))
3.228 0.646 0.646 peak 331 weight 1.00000E+00 volume 2.51218E+06 ppm1 8.855 ppm2 4.001
ASSI { 331}
(( segid " B" and resid 21 and name HA ))
(( segid " B" and resid 21 and name HN ))
3.228 0.646 0.646 peak 331 weight 1.00000E+00 volume 2.51218E+06 ppm1 8.855 ppm2 4.001
ASSI { 332}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 21 and name HB2 ))
2.920 0.584 0.584 peak 332 weight 1.00000E+00 volume 4.58623E+06 ppm1 8.860 ppm2 2.072
ASSI { 332}
(( segid " B" and resid 21 and name HN ))
(( segid " B" and resid 21 and name HB2 ))
2.920 0.584 0.584 peak 332 weight 1.00000E+00 volume 4.58623E+06 ppm1 8.860 ppm2 2.072
ASSI { 333}
(( segid " B" and resid 21 and name HN ))
(( segid " B" and resid 21 and name HG1 ))
3.491 0.698 0.698 peak 333 weight 1.00000E+00 volume 1.56900E+06 ppm1 8.857 ppm2 2.465
ASSI { 333}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 21 and name HG1 ))
3.491 0.698 0.698 peak 333 weight 1.00000E+00 volume 1.56900E+06 ppm1 8.857 ppm2 2.465
! ASSI { 334}
! (( segid " B" and resid 21 and name HN ))
! (( segid " B" and resid 20 and name HB2 ))
! 4.427 0.885 0.885 peak 334 weight 1.00000E+00 volume 3.77417E+05 ppm1 8.855 ppm2 1.252
ASSI { 336}
(( segid " B" and resid 22 and name HN ))
(( segid " B" and resid 22 and name HA ))
3.250 0.650 0.650 peak 336 weight 1.00000E+00 volume 2.41307E+06 ppm1 7.771 ppm2 4.398
ASSI { 336}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 22 and name HA ))
3.250 0.650 0.650 peak 336 weight 1.00000E+00 volume 2.41307E+06 ppm1 7.771 ppm2 4.398
ASSI { 337}
(( segid " B" and resid 22 and name HN ))
(( segid " B" and resid 22 and name HB1 ))
2.871 0.574 0.574 peak 337 weight 1.00000E+00 volume 5.07040E+06 ppm1 7.770 ppm2 2.706
ASSI { 337}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 22 and name HB1 ))
2.871 0.574 0.574 peak 337 weight 1.00000E+00 volume 5.07040E+06 ppm1 7.770 ppm2 2.706
ASSI { 338}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 23 and name HG1 ))
3.115 0.623 0.623 peak 338 weight 1.00000E+00 volume 3.11187E+06 ppm1 7.773 ppm2 2.064
ASSI { 338}
(( segid " B" and resid 22 and name HN ))
(( segid " B" and resid 23 and name HG1 ))
3.115 0.623 0.623 peak 338 weight 1.00000E+00 volume 3.11187E+06 ppm1 7.773 ppm2 2.064
ASSI { 339}
(( segid " B" and resid 24 and name HN ))
(( segid " B" and resid 23 and name HN ))
3.509 0.702 0.702 peak 339 weight 1.00000E+00 volume 1.52279E+06 ppm1 8.027 ppm2 8.643
ASSI { 339}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 23 and name HN ))
3.509 0.702 0.702 peak 339 weight 1.00000E+00 volume 1.52279E+06 ppm1 8.027 ppm2 8.643
ASSI { 340}
(( segid " B" and resid 23 and name HN ))
(( segid " B" and resid 23 and name HA ))
3.424 0.685 0.685 peak 340 weight 1.00000E+00 volume 1.76400E+06 ppm1 8.029 ppm2 4.331
ASSI { 340}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HA ))
3.424 0.685 0.685 peak 340 weight 1.00000E+00 volume 1.76400E+06 ppm1 8.029 ppm2 4.331
ASSI { 341}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HG2 ))
3.525 0.705 0.705 peak 341 weight 1.00000E+00 volume 1.48145E+06 ppm1 8.027 ppm2 2.711
ASSI { 341}
(( segid " B" and resid 23 and name HN ))
(( segid " B" and resid 23 and name HG2 ))
3.525 0.705 0.705 peak 341 weight 1.00000E+00 volume 1.48145E+06 ppm1 8.027 ppm2 2.711
ASSI { 342}
(( segid " B" and resid 23 and name HN ))
(( segid " B" and resid 23 and name HB1 ))
2.813 0.563 0.563 peak 342 weight 1.00000E+00 volume 5.74012E+06 ppm1 8.027 ppm2 2.093
ASSI { 342}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HB1 ))
2.813 0.563 0.563 peak 342 weight 1.00000E+00 volume 5.74012E+06 ppm1 8.027 ppm2 2.093
ASSI { 344}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 23 and name HN ))
3.269 0.654 0.654 peak 344 weight 1.00000E+00 volume 2.33047E+06 ppm1 8.656 ppm2 8.026
ASSI { 344}
(( segid " B" and resid 24 and name HN ))
(( segid " B" and resid 23 and name HN ))
3.269 0.654 0.654 peak 344 weight 1.00000E+00 volume 2.33047E+06 ppm1 8.656 ppm2 8.026
ASSI { 345}
(( segid " B" and resid 25 and name HN ))
(( segid " B" and resid 24 and name HN ))
3.640 0.728 0.728 peak 345 weight 1.00000E+00 volume 1.22104E+06 ppm1 8.658 ppm2 7.753
ASSI { 345}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 24 and name HN ))
3.640 0.728 0.728 peak 345 weight 1.00000E+00 volume 1.22104E+06 ppm1 8.658 ppm2 7.753
ASSI { 346}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 24 and name HA ))
3.634 0.727 0.727 peak 346 weight 1.00000E+00 volume 1.23490E+06 ppm1 8.656 ppm2 3.357
ASSI { 346}
(( segid " B" and resid 24 and name HN ))
(( segid " B" and resid 24 and name HA ))
3.634 0.727 0.727 peak 346 weight 1.00000E+00 volume 1.23490E+06 ppm1 8.656 ppm2 3.357
ASSI { 348}
(( segid " B" and resid 24 and name HN ))
(( segid " B" and resid 24 and name HB ))
2.843 0.569 0.569 peak 348 weight 1.00000E+00 volume 5.38396E+06 ppm1 8.657 ppm2 2.042
ASSI { 348}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 24 and name HB ))
2.843 0.569 0.569 peak 348 weight 1.00000E+00 volume 5.38396E+06 ppm1 8.657 ppm2 2.042
ASSI { 350}
(( segid " A" and resid 24 and name HN ))
( segid " A" and resid 25 and name HB# )
4.786 0.957 0.957 peak 350 weight 1.00000E+00 volume 2.36564E+05 ppm1 8.657 ppm2 1.441
ASSI { 350}
(( segid " B" and resid 24 and name HN ))
( segid " B" and resid 25 and name HB# )
4.786 0.957 0.957 peak 350 weight 1.00000E+00 volume 2.36564E+05 ppm1 8.657 ppm2 1.441
ASSI { 351}
(( segid " B" and resid 25 and name HN ))
( segid " B" and resid 25 and name HB# )
2.843 0.569 0.569 peak 351 weight 1.00000E+00 volume 5.38403E+06 ppm1 7.763 ppm2 1.437
ASSI { 351}
(( segid " A" and resid 25 and name HN ))
( segid " A" and resid 25 and name HB# )
2.843 0.569 0.569 peak 351 weight 1.00000E+00 volume 5.38403E+06 ppm1 7.763 ppm2 1.437
ASSI { 353}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 27 and name HN ))
2.987 0.597 0.597 peak 353 weight 1.00000E+00 volume 3.99754E+06 ppm1 8.411 ppm2 7.865
ASSI { 353}
(( segid " B" and resid 26 and name HN ))
(( segid " B" and resid 27 and name HN ))
2.987 0.597 0.597 peak 353 weight 1.00000E+00 volume 3.99754E+06 ppm1 8.411 ppm2 7.865
ASSI { 354}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 27 and name HA ))
3.174 0.635 0.635 peak 354 weight 1.00000E+00 volume 2.78133E+06 ppm1 8.413 ppm2 4.019
ASSI { 354}
(( segid " B" and resid 27 and name HN ))
(( segid " B" and resid 27 and name HA ))
3.174 0.635 0.635 peak 354 weight 1.00000E+00 volume 2.78133E+06 ppm1 8.413 ppm2 4.019
ASSI { 355}
(( segid " B" and resid 27 and name HN ))
(( segid " B" and resid 27 and name HB2 ))
2.823 0.565 0.565 peak 355 weight 1.00000E+00 volume 5.61204E+06 ppm1 8.414 ppm2 1.972
ASSI { 355}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 27 and name HB2 ))
2.823 0.565 0.565 peak 355 weight 1.00000E+00 volume 5.61204E+06 ppm1 8.414 ppm2 1.972
ASSI { 356}
(( segid " B" and resid 27 and name HN ))
(( segid " B" and resid 27 and name HB1 ))
3.522 0.704 0.704 peak 356 weight 1.00000E+00 volume 1.48814E+06 ppm1 8.407 ppm2 1.242
ASSI { 356}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 27 and name HB1 ))
3.522 0.704 0.704 peak 356 weight 1.00000E+00 volume 1.48814E+06 ppm1 8.407 ppm2 1.242
ASSI { 357}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 27 and name HG ))
3.131 0.626 0.626 peak 357 weight 1.00000E+00 volume 3.01925E+06 ppm1 8.411 ppm2 1.635
ASSI { 357}
(( segid " B" and resid 27 and name HN ))
(( segid " B" and resid 27 and name HG ))
3.131 0.626 0.626 peak 357 weight 1.00000E+00 volume 3.01925E+06 ppm1 8.411 ppm2 1.635
ASSI { 358}
(( segid " B" and resid 27 and name HN ))
( segid " B" and resid 27 and name HD1#)
2.892 0.578 0.578 peak 358 weight 1.00000E+00 volume 4.85434E+06 ppm1 8.414 ppm2 0.804
ASSI { 358}
(( segid " A" and resid 27 and name HN ))
( segid " A" and resid 27 and name HD1#)
2.892 0.578 0.578 peak 358 weight 1.00000E+00 volume 4.85434E+06 ppm1 8.414 ppm2 0.804
! ASSI { 359}
! (( segid " A" and resid 28 and name HN ))
! (( segid " A" and resid 27 and name HN ))
! 4.463 0.893 0.893 peak 359 weight 1.00000E+00 volume 3.59440E+05 ppm1 8.406 ppm2 8.881
ASSI { 360}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 27 and name HN ))
4.089 0.818 0.818 peak 360 weight 1.00000E+00 volume 6.07743E+05 ppm1 8.892 ppm2 8.408
ASSI { 360}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 27 and name HN ))
4.089 0.818 0.818 peak 360 weight 1.00000E+00 volume 6.07743E+05 ppm1 8.892 ppm2 8.408
ASSI { 361}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 28 and name HA ))
3.376 0.675 0.675 peak 361 weight 1.00000E+00 volume 1.91899E+06 ppm1 8.894 ppm2 3.815
ASSI { 361}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 28 and name HA ))
3.376 0.675 0.675 peak 361 weight 1.00000E+00 volume 1.91899E+06 ppm1 8.894 ppm2 3.815
ASSI { 362}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 28 and name HG2 ))
2.800 0.560 0.560 peak 362 weight 1.00000E+00 volume 5.90062E+06 ppm1 8.892 ppm2 1.716
ASSI { 362}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 28 and name HG2 ))
2.800 0.560 0.560 peak 362 weight 1.00000E+00 volume 5.90062E+06 ppm1 8.892 ppm2 1.716
ASSI { 363}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 28 and name HG1 ))
3.585 0.717 0.717 peak 363 weight 1.00000E+00 volume 1.33940E+06 ppm1 8.892 ppm2 1.227
ASSI { 363}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 28 and name HG1 ))
3.585 0.717 0.717 peak 363 weight 1.00000E+00 volume 1.33940E+06 ppm1 8.892 ppm2 1.227
ASSI { 364}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 28 and name HD2 ))
3.360 0.672 0.672 peak 364 weight 1.00000E+00 volume 1.97355E+06 ppm1 8.891 ppm2 0.785
ASSI { 364}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 28 and name HD2 ))
3.360 0.672 0.672 peak 364 weight 1.00000E+00 volume 1.97355E+06 ppm1 8.891 ppm2 0.785
ASSI { 365}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 29 and name HD2 ))
4.472 0.894 0.894 peak 365 weight 1.00000E+00 volume 3.55539E+05 ppm1 7.286 ppm2 0.817
ASSI { 365}
(( segid " B" and resid 29 and name HN ))
(( segid " B" and resid 29 and name HD2 ))
4.472 0.894 0.894 peak 365 weight 1.00000E+00 volume 3.55539E+05 ppm1 7.286 ppm2 0.817
ASSI { 366}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 30 and name HN ))
2.950 0.590 0.590 peak 366 weight 1.00000E+00 volume 4.30916E+06 ppm1 7.514 ppm2 7.662
ASSI { 366}
(( segid " B" and resid 31 and name HN ))
(( segid " B" and resid 30 and name HN ))
2.950 0.590 0.590 peak 366 weight 1.00000E+00 volume 4.30916E+06 ppm1 7.514 ppm2 7.662
ASSI { 367}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 30 and name HA ))
3.116 0.623 0.623 peak 367 weight 1.00000E+00 volume 3.10430E+06 ppm1 7.513 ppm2 4.164
ASSI { 367}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HA ))
3.116 0.623 0.623 peak 367 weight 1.00000E+00 volume 3.10430E+06 ppm1 7.513 ppm2 4.164
ASSI { 368}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 30 and name HB1 ))
3.098 0.620 0.620 peak 368 weight 1.00000E+00 volume 3.21281E+06 ppm1 7.515 ppm2 1.972
ASSI { 368}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HB1 ))
3.098 0.620 0.620 peak 368 weight 1.00000E+00 volume 3.21281E+06 ppm1 7.515 ppm2 1.972
ASSI { 369}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 30 and name HB2 ))
3.092 0.618 0.618 peak 369 weight 1.00000E+00 volume 3.25096E+06 ppm1 7.513 ppm2 1.636
ASSI { 369}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HB2 ))
3.092 0.618 0.618 peak 369 weight 1.00000E+00 volume 3.25096E+06 ppm1 7.513 ppm2 1.636
ASSI { 370}
(( segid " B" and resid 30 and name HN ))
( segid " B" and resid 30 and name HD1#)
3.340 0.668 0.668 peak 370 weight 1.00000E+00 volume 2.04698E+06 ppm1 7.514 ppm2 0.817
ASSI { 370}
(( segid " A" and resid 30 and name HN ))
( segid " A" and resid 30 and name HD1#)
3.340 0.668 0.668 peak 370 weight 1.00000E+00 volume 2.04698E+06 ppm1 7.514 ppm2 0.817
ASSI { 371}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 31 and name HA ))
3.047 0.609 0.609 peak 371 weight 1.00000E+00 volume 3.55177E+06 ppm1 7.670 ppm2 4.176
ASSI { 371}
(( segid " B" and resid 31 and name HN ))
(( segid " B" and resid 31 and name HA ))
3.047 0.609 0.609 peak 371 weight 1.00000E+00 volume 3.55177E+06 ppm1 7.670 ppm2 4.176
ASSI { 372}
(( segid " A" and resid 31 and name HN ))
( segid " A" and resid 31 and name HG1#)
2.782 0.556 0.556 peak 372 weight 1.00000E+00 volume 6.13019E+06 ppm1 7.670 ppm2 0.866
ASSI { 372}
(( segid " B" and resid 31 and name HN ))
( segid " B" and resid 31 and name HG1#)
2.782 0.556 0.556 peak 372 weight 1.00000E+00 volume 6.13019E+06 ppm1 7.670 ppm2 0.866
ASSI { 373}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 31 and name HB ))
3.469 0.694 0.694 peak 373 weight 1.00000E+00 volume 1.63041E+06 ppm1 7.671 ppm2 2.246
ASSI { 373}
(( segid " B" and resid 31 and name HN ))
(( segid " B" and resid 31 and name HB ))
3.469 0.694 0.694 peak 373 weight 1.00000E+00 volume 1.63041E+06 ppm1 7.671 ppm2 2.246
ASSI { 374}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 30 and name HB1 ))
3.776 0.755 0.755 peak 374 weight 1.00000E+00 volume 9.80052E+05 ppm1 7.668 ppm2 1.941
ASSI { 374}
(( segid " B" and resid 31 and name HN ))
(( segid " B" and resid 30 and name HB1 ))
3.776 0.755 0.755 peak 374 weight 1.00000E+00 volume 9.80052E+05 ppm1 7.668 ppm2 1.941
ASSI { 375}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 30 and name HB2 ))
3.715 0.743 0.743 peak 375 weight 1.00000E+00 volume 1.08148E+06 ppm1 7.668 ppm2 1.628
ASSI { 375}
(( segid " B" and resid 31 and name HN ))
(( segid " B" and resid 30 and name HB2 ))
3.715 0.743 0.743 peak 375 weight 1.00000E+00 volume 1.08148E+06 ppm1 7.668 ppm2 1.628
ASSI { 121}
(( segid " A" and resid 32 and name HN ))
(( segid " A" and resid 32 and name HA2 ))
2.773 0.555 0.555 peak 121 weight 1.00000E+00 volume 1.41461E+05 ppm1 7.849 ppm2 3.901
ASSI { 121}
(( segid " B" and resid 32 and name HN ))
(( segid " B" and resid 32 and name HA2 ))
2.773 0.555 0.555 peak 121 weight 1.00000E+00 volume 1.41461E+05 ppm1 7.849 ppm2 3.901
ASSI { 167}
(( segid " A" and resid 11 and name HB1 ))
(( segid " A" and resid 15 and name HN ))
5.068 1.014 1.014 peak 167 weight 1.00000E+00 volume 5.04793E+04 ppm1 2.179 ppm2 7.811
ASSI { 167}
(( segid " B" and resid 11 and name HB1 ))
(( segid " B" and resid 15 and name HN ))
5.068 1.014 1.014 peak 167 weight 1.00000E+00 volume 5.04793E+04 ppm1 2.179 ppm2 7.811
!22HN
ASSI { 282}
(( segid " B" and resid 29 and name HB2 ))
(( segid " B" and resid 29 and name HG1 ))
3.178 0.636 0.636 peak 282 weight 1.00000E+00 volume 2.71255E+05 ppm1 1.561 ppm2 1.675
ASSI { 282}
(( segid " A" and resid 29 and name HB2 ))
(( segid " A" and resid 29 and name HG1 ))
3.178 0.636 0.636 peak 282 weight 1.00000E+00 volume 2.71255E+05 ppm1 1.561 ppm2 1.675
!9HB1
ASSI { 321}
( segid " B" and resid 30 and name HD2#)
(( segid " B" and resid 29 and name HN ))
3.844 0.769 0.769 peak 321 weight 1.00000E+00 volume 5.46116E+04 ppm1 0.880 ppm2 7.263
ASSI { 321}
( segid " A" and resid 30 and name HD2#)
(( segid " A" and resid 29 and name HN ))
3.844 0.769 0.769 peak 321 weight 1.00000E+00 volume 5.46116E+04 ppm1 0.880 ppm2 7.263
ASSI { 210}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 15 and name HN ))
5.063 1.013 1.013 peak 210 weight 1.00000E+00 volume 4.38016E+04 ppm1 4.004 ppm2 7.809
ASSI { 210}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 15 and name HN ))
5.063 1.013 1.013 peak 210 weight 1.00000E+00 volume 4.38016E+04 ppm1 4.004 ppm2 7.809
! ASSI { 337}
! (( segid " B" and resid 11 and name HB1 ))
! (( segid " B" and resid 28 and name HD1 ))
! 4.186 0.837 0.837 peak 337 weight 1.00000E+00 volume 5.98486E+04 ppm1 0.876 ppm2 2.153
ASSI { 73}
(( segid " A" and resid 18 and name HB1 ))
(( segid " A" and resid 18 and name HA ))
3.969 0.794 0.794 peak 73 weight 1.00000E+00 volume 7.70668E+04 ppm1 4.368 ppm2 3.211
ASSI { 73}
(( segid " B" and resid 18 and name HB1 ))
(( segid " B" and resid 18 and name HA ))
3.969 0.794 0.794 peak 73 weight 1.00000E+00 volume 7.70668E+04 ppm1 4.368 ppm2 3.211
ASSI { 118}
(( segid " A" and resid 3 and name HB2 ))
(( segid " A" and resid 3 and name HA ))
3.312 0.662 0.662 peak 118 weight 1.00000E+00 volume 2.31064E+05 ppm1 4.183 ppm2 2.100
ASSI { 118}
(( segid " B" and resid 3 and name HB2 ))
(( segid " B" and resid 3 and name HA ))
3.312 0.662 0.662 peak 118 weight 1.00000E+00 volume 2.31064E+05 ppm1 4.183 ppm2 2.100
!29HA
ASSI { 199}
(( segid " A" and resid 13 and name HB2 ))
(( segid " A" and resid 14 and name HA ))
4.715 0.943 0.943 peak 199 weight 1.00000E+00 volume 3.89875E+04 ppm1 1.213 ppm2 4.068
ASSI { 199}
(( segid " B" and resid 13 and name HB2 ))
(( segid " B" and resid 14 and name HA ))
4.715 0.943 0.943 peak 199 weight 1.00000E+00 volume 3.89875E+04 ppm1 1.213 ppm2 4.068
! ASSI { 179}
! (( segid " A" and resid 16 and name HB1 ))
! (( segid " A" and resid 17 and name HB1 ))
! 4.310 0.862 0.862 peak 179 weight 1.00000E+00 volume 4.04574E+04 ppm1 1.757 ppm2 2.725
ASSI { 91}
(( segid " B" and resid 13 and name HA ))
( segid " B" and resid 13 and name HD2#)
3.163 0.633 0.633 peak 91 weight 1.00000E+00 volume 3.75499E+05 ppm1 3.990 ppm2 0.831
ASSI { 91}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 13 and name HD2#)
3.163 0.633 0.633 peak 91 weight 1.00000E+00 volume 3.75499E+05 ppm1 3.990 ppm2 0.831
ASSI { 349}
(( segid " A" and resid 26 and name HG2 ))
(( segid " A" and resid 26 and name HD2 ))
4.165 0.833 0.833 peak 349 weight 1.00000E+00 volume 5.65499E+04 ppm1 2.189 ppm2 3.073
ASSI { 349}
(( segid " B" and resid 26 and name HG2 ))
(( segid " B" and resid 26 and name HD2 ))
4.165 0.833 0.833 peak 349 weight 1.00000E+00 volume 5.65499E+04 ppm1 2.189 ppm2 3.073
!11HB1
ASSI { 248}
(( segid " A" and resid 27 and name HG ))
(( segid " B" and resid 27 and name HB1 ))
4.280 0.856 0.856 peak 248 weight 1.00000E+00 volume 2.14795E+04 ppm1 1.981 ppm2 1.620
ASSI { 248}
(( segid " B" and resid 27 and name HG ))
(( segid " A" and resid 27 and name HB1 ))
4.280 0.856 0.856 peak 248 weight 1.00000E+00 volume 2.14795E+04 ppm1 1.981 ppm2 1.620
! ASSI { 70}
! (( segid " A" and resid 19 and name HA ))
! (( segid " A" and resid 16 and name HN ))
! 5.355 1.071 1.071 peak 70 weight 1.00000E+00 volume 1.38361E+04 ppm1 4.342 ppm2 8.317
ASSI { 213}
(( segid " B" and resid 13 and name HB2 ))
(( segid " A" and resid 10 and name HA ))
4.607 0.921 0.921 peak 213 weight 1.00000E+00 volume 6.05607E+04 ppm1 3.396 ppm2 1.243
ASSI { 213}
(( segid " A" and resid 13 and name HB2 ))
(( segid " B" and resid 10 and name HA ))
4.607 0.921 0.921 peak 213 weight 1.00000E+00 volume 6.05607E+04 ppm1 3.396 ppm2 1.243
ASSI { 129}
(( segid " B" and resid 21 and name HA ))
(( segid " B" and resid 20 and name HB1 ))
4.359 0.872 0.872 peak 129 weight 1.00000E+00 volume 5.96675E+04 ppm1 3.983 ppm2 1.231
ASSI { 129}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 20 and name HB1 ))
4.359 0.872 0.872 peak 129 weight 1.00000E+00 volume 5.96675E+04 ppm1 3.983 ppm2 1.231
!13HA
ASSI { 197}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 14 and name HB2 ))
4.371 0.874 0.874 peak 197 weight 1.00000E+00 volume 3.68501E+04 ppm1 4.016 ppm2 1.439
ASSI { 197}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 14 and name HB2 ))
4.371 0.874 0.874 peak 197 weight 1.00000E+00 volume 3.68501E+04 ppm1 4.016 ppm2 1.439
!13HA
ASSI { 162}
( segid " B" and resid 25 and name HB# )
(( segid " B" and resid 22 and name HA ))
4.352 0.870 0.870 peak 162 weight 1.00000E+00 volume 9.19978E+04 ppm1 4.423 ppm2 1.434
ASSI { 162}
( segid " A" and resid 25 and name HB# )
(( segid " A" and resid 22 and name HA ))
4.352 0.870 0.870 peak 162 weight 1.00000E+00 volume 9.19978E+04 ppm1 4.423 ppm2 1.434
ASSI { 281}
(( segid " B" and resid 29 and name HB1 ))
(( segid " B" and resid 29 and name HG1 ))
3.511 0.702 0.702 peak 281 weight 1.00000E+00 volume 1.12689E+05 ppm1 1.564 ppm2 2.004
ASSI { 281}
(( segid " A" and resid 29 and name HB1 ))
(( segid " A" and resid 29 and name HG1 ))
3.511 0.702 0.702 peak 281 weight 1.00000E+00 volume 1.12689E+05 ppm1 1.564 ppm2 2.004
!9HB2
! ASSI { 260}
! (( segid " A" and resid 3 and name HB2 ))
! (( segid " A" and resid 4 and name HD2 ))
! 3.498 0.700 0.700 peak 260 weight 1.00000E+00 volume 1.21811E+05 ppm1 2.096 ppm2 0.888
ASSI { 102}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 11 and name HA ))
3.966 0.793 0.793 peak 102 weight 1.00000E+00 volume 5.58815E+04 ppm1 2.099 ppm2 3.993
ASSI { 102}
(( segid " B" and resid 11 and name HB2 ))
(( segid " B" and resid 11 and name HA ))
3.966 0.793 0.793 peak 102 weight 1.00000E+00 volume 5.58815E+04 ppm1 2.099 ppm2 3.993
ASSI { 165}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 22 and name HB1 ))
4.344 0.869 0.869 peak 165 weight 1.00000E+00 volume 5.67542E+04 ppm1 2.816 ppm2 4.347
ASSI { 165}
(( segid " B" and resid 23 and name HA ))
(( segid " B" and resid 22 and name HB1 ))
4.344 0.869 0.869 peak 165 weight 1.00000E+00 volume 5.67542E+04 ppm1 2.816 ppm2 4.347
! ASSI { 49}
! (( segid " A" and resid 24 and name HB ))
! (( segid " A" and resid 24 and name HA ))
! 3.983 0.797 0.797 peak 49 weight 1.00000E+00 volume 8.60219E+04 ppm1 3.391 ppm2 2.055
!10HA
!ASSI { 269}
! (( segid " A" and resid 4 and name HE1 ))
! (( segid " A" and resid 9 and name HE2 ))
! 4.033 0.807 0.807 peak 269 weight 1.00000E+00 volume 1.20071E+05 ppm1 3.359 ppm2 3.063
ASSI { 65}
(( segid " B" and resid 21 and name HG2 ))
(( segid " B" and resid 20 and name HA ))
4.671 0.934 0.934 peak 65 weight 1.00000E+00 volume 3.80182E+04 ppm1 4.002 ppm2 2.441
ASSI { 65}
(( segid " A" and resid 21 and name HG2 ))
(( segid " A" and resid 20 and name HA ))
4.671 0.934 0.934 peak 65 weight 1.00000E+00 volume 3.80182E+04 ppm1 4.002 ppm2 2.441
!21HA
ASSI { 311}
(( segid " A" and resid 5 and name HB1 ))
(( segid " A" and resid 6 and name HA ))
3.886 0.777 0.777 peak 311 weight 1.00000E+00 volume 7.26880E+04 ppm1 1.747 ppm2 4.162
ASSI { 311}
(( segid " B" and resid 5 and name HB1 ))
(( segid " B" and resid 6 and name HA ))
3.886 0.777 0.777 peak 311 weight 1.00000E+00 volume 7.26880E+04 ppm1 1.747 ppm2 4.162
ASSI { 52}
(( segid " A" and resid 24 and name HB ))
( segid " A" and resid 24 and name HG2#)
3.203 0.641 0.641 peak 52 weight 1.00000E+00 volume 2.01547E+05 ppm1 0.898 ppm2 2.006
ASSI { 52}
(( segid " B" and resid 24 and name HB ))
( segid " B" and resid 24 and name HG2#)
3.203 0.641 0.641 peak 52 weight 1.00000E+00 volume 2.01547E+05 ppm1 0.898 ppm2 2.006
!10HG2#
ASSI { 30}
(( segid " B" and resid 27 and name HB2 ))
(( segid " A" and resid 27 and name HB1 ))
4.224 0.845 0.845 peak 30 weight 1.00000E+00 volume 6.58705E+04 ppm1 1.973 ppm2 1.255
ASSI { 30}
(( segid " A" and resid 27 and name HB2 ))
(( segid " B" and resid 27 and name HB1 ))
4.224 0.845 0.845 peak 30 weight 1.00000E+00 volume 6.58705E+04 ppm1 1.973 ppm2 1.255
ASSI { 2}
(( segid " B" and resid 32 and name HA1 ))
(( segid " B" and resid 28 and name HA ))
4.815 0.963 0.963 peak 2 weight 1.00000E+00 volume 1.39852E+05 ppm1 4.074 ppm2 3.840
ASSI { 2}
(( segid " A" and resid 32 and name HA1 ))
(( segid " A" and resid 28 and name HA ))
4.815 0.963 0.963 peak 2 weight 1.00000E+00 volume 1.39852E+05 ppm1 4.074 ppm2 3.840
ASSI { 220}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 13 and name HN ))
4.994 0.999 0.999 peak 220 weight 1.00000E+00 volume 2.59034E+04 ppm1 4.179 ppm2 8.625
ASSI { 220}
(( segid " B" and resid 9 and name HA ))
(( segid " B" and resid 13 and name HN ))
4.994 0.999 0.999 peak 220 weight 1.00000E+00 volume 2.59034E+04 ppm1 4.179 ppm2 8.625
!29HA
ASSI { 300}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 11 and name HG1 ))
2.637 0.527 0.527 peak 300 weight 1.00000E+00 volume 5.00650E+05 ppm1 2.188 ppm2 2.113
ASSI { 300}
(( segid " B" and resid 11 and name HB2 ))
(( segid " B" and resid 11 and name HG1 ))
2.637 0.527 0.527 peak 300 weight 1.00000E+00 volume 5.00650E+05 ppm1 2.188 ppm2 2.113
!12HB2
! ASSI { 11}
! (( segid " B" and resid 30 and name HG ))
! (( segid " B" and resid 33 and name HA ))
! 4.153 0.831 0.831 peak 11 weight 1.00000E+00 volume 9.94998E+04 ppm1 4.217 ppm2 2.070
!30HA
ASSI { 266}
(( segid " A" and resid 16 and name HB1 ))
( segid " A" and resid 13 and name HD23)
3.385 0.677 0.677 peak 266 weight 1.00000E+00 volume 1.11693E+05 ppm1 1.751 ppm2 0.803
ASSI { 266}
(( segid " B" and resid 16 and name HB1 ))
( segid " B" and resid 13 and name HD23)
3.385 0.677 0.677 peak 266 weight 1.00000E+00 volume 1.11693E+05 ppm1 1.751 ppm2 0.803
!5HB1
ASSI { 56}
(( segid " B" and resid 23 and name HG2 ))
(( segid " B" and resid 23 and name HA ))
3.974 0.795 0.795 peak 56 weight 1.00000E+00 volume 8.93773E+04 ppm1 4.300 ppm2 2.078
ASSI { 56}
(( segid " A" and resid 23 and name HG2 ))
(( segid " A" and resid 23 and name HA ))
3.974 0.795 0.795 peak 56 weight 1.00000E+00 volume 8.93773E+04 ppm1 4.300 ppm2 2.078
!23HB2
ASSI { 219}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 12 and name HB2 ))
3.432 0.686 0.686 peak 219 weight 1.00000E+00 volume 1.78547E+05 ppm1 4.190 ppm2 2.126
ASSI { 219}
(( segid " B" and resid 9 and name HA ))
(( segid " B" and resid 12 and name HB2 ))
3.432 0.686 0.686 peak 219 weight 1.00000E+00 volume 1.78547E+05 ppm1 4.190 ppm2 2.126
!29HA
! ASSI { 170}
! (( segid " A" and resid 13 and name HB2 ))
! ( segid " A" and resid 13 and name HD1#)
! 3.969 0.794 0.794 peak 170 weight 1.00000E+00 volume 7.24454E+04 ppm1 1.258 ppm2 0.831
!10HG2#
ASSI { 59}
(( segid " B" and resid 22 and name HB2 ))
(( segid " B" and resid 22 and name HA ))
4.001 0.800 0.800 peak 59 weight 1.00000E+00 volume 1.19288E+05 ppm1 4.423 ppm2 2.706
ASSI { 59}
(( segid " A" and resid 22 and name HB2 ))
(( segid " A" and resid 22 and name HA ))
4.001 0.800 0.800 peak 59 weight 1.00000E+00 volume 1.19288E+05 ppm1 4.423 ppm2 2.706
ASSI { 68}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name HB2 ))
3.934 0.787 0.787 peak 68 weight 1.00000E+00 volume 8.57483E+04 ppm1 4.353 ppm2 3.437
ASSI { 68}
(( segid " B" and resid 19 and name HA ))
(( segid " B" and resid 19 and name HB2 ))
3.934 0.787 0.787 peak 68 weight 1.00000E+00 volume 8.57483E+04 ppm1 4.353 ppm2 3.437
ASSI { 36}
(( segid " A" and resid 27 and name HA ))
( segid " A" and resid 27 and name HD1#)
3.163 0.633 0.633 peak 36 weight 1.00000E+00 volume 3.75499E+05 ppm1 3.992 ppm2 0.790
ASSI { 36}
(( segid " B" and resid 27 and name HA ))
( segid " B" and resid 27 and name HD1#)
3.163 0.633 0.633 peak 36 weight 1.00000E+00 volume 3.75499E+05 ppm1 3.992 ppm2 0.790
!13HA, HD2#
ASSI { 344}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 6 and name HG ))
3.538 0.708 0.708 peak 344 weight 1.00000E+00 volume 9.58952E+03 ppm1 1.758 ppm2 1.426
ASSI { 344}
(( segid " B" and resid 6 and name HB2 ))
(( segid " B" and resid 6 and name HG ))
3.538 0.708 0.708 peak 344 weight 1.00000E+00 volume 9.58952E+03 ppm1 1.758 ppm2 1.426
ASSI { 83}
(( segid " A" and resid 16 and name HB1 ))
(( segid " A" and resid 16 and name HA ))
3.909 0.782 0.782 peak 83 weight 1.00000E+00 volume 6.10162E+04 ppm1 1.751 ppm2 4.172
ASSI { 83}
(( segid " B" and resid 16 and name HB1 ))
(( segid " B" and resid 16 and name HA ))
3.909 0.782 0.782 peak 83 weight 1.00000E+00 volume 6.10162E+04 ppm1 1.751 ppm2 4.172
ASSI { 246}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 18 and name HB2 ))
3.536 0.707 0.707 peak 246 weight 1.00000E+00 volume 1.63855E+05 ppm1 3.261 ppm2 3.166
ASSI { 246}
(( segid " B" and resid 17 and name HB2 ))
(( segid " B" and resid 18 and name HB2 ))
3.536 0.707 0.707 peak 246 weight 1.00000E+00 volume 1.63855E+05 ppm1 3.261 ppm2 3.166
!18HB1
ASSI { 39}
(( segid " A" and resid 26 and name HB1 ))
(( segid " A" and resid 27 and name HA ))
3.759 0.752 0.752 peak 39 weight 1.00000E+00 volume 1.17937E+05 ppm1 3.986 ppm2 1.892
ASSI { 39}
(( segid " B" and resid 26 and name HB1 ))
(( segid " B" and resid 27 and name HA ))
3.759 0.752 0.752 peak 39 weight 1.00000E+00 volume 1.17937E+05 ppm1 3.986 ppm2 1.892
!11HA
ASSI { 25}
(( segid " B" and resid 28 and name HA ))
(( segid " B" and resid 28 and name HG1 ))
3.765 0.753 0.753 peak 25 weight 1.00000E+00 volume 1.75834E+05 ppm1 3.802 ppm2 1.700
ASSI { 25}
(( segid " A" and resid 28 and name HA ))
(( segid " A" and resid 28 and name HG1 ))
3.765 0.753 0.753 peak 25 weight 1.00000E+00 volume 1.75834E+05 ppm1 3.802 ppm2 1.700
ASSI { 211}
(( segid " A" and resid 11 and name HG1 ))
(( segid " A" and resid 12 and name HN ))
4.889 0.978 0.978 peak 211 weight 1.00000E+00 volume 2.29213E+04 ppm1 2.104 ppm2 8.263
ASSI { 211}
(( segid " B" and resid 11 and name HG1 ))
(( segid " B" and resid 12 and name HN ))
4.889 0.978 0.978 peak 211 weight 1.00000E+00 volume 2.29213E+04 ppm1 2.104 ppm2 8.263
!11HB2
! ASSI { 32}
! (( segid " B" and resid 2 and name HB1 ))
! (( segid " B" and resid 6 and name HB2 ))
! 4.750 0.950 0.950 peak 32 weight 1.00000E+00 volume 3.13278E+04 ppm1 1.246 ppm2 3.928
!27HB2
ASSI { 85}
(( segid " A" and resid 16 and name HB1 ))
(( segid " A" and resid 16 and name HE1 ))
4.947 0.989 0.989 peak 85 weight 1.00000E+00 volume 3.30385E+04 ppm1 1.752 ppm2 3.007
ASSI { 85}
(( segid " B" and resid 16 and name HB1 ))
(( segid " B" and resid 16 and name HE1 ))
4.947 0.989 0.989 peak 85 weight 1.00000E+00 volume 3.30385E+04 ppm1 1.752 ppm2 3.007
ASSI { 14}
(( segid " B" and resid 29 and name HG1 ))
(( segid " B" and resid 29 and name HA ))
4.142 0.828 0.828 peak 14 weight 1.00000E+00 volume 3.82784E+04 ppm1 4.168 ppm2 1.682
ASSI { 14}
(( segid " A" and resid 29 and name HG1 ))
(( segid " A" and resid 29 and name HA ))
4.142 0.828 0.828 peak 14 weight 1.00000E+00 volume 3.82784E+04 ppm1 4.168 ppm2 1.682
!16HB1
ASSI { 253}
(( segid " A" and resid 29 and name HE1 ))
(( segid " A" and resid 29 and name HD1 ))
3.944 0.789 0.789 peak 253 weight 1.00000E+00 volume 8.20224E+04 ppm1 2.869 ppm2 0.809
ASSI { 253}
(( segid " B" and resid 29 and name HE1 ))
(( segid " B" and resid 29 and name HD1 ))
3.944 0.789 0.789 peak 253 weight 1.00000E+00 volume 8.20224E+04 ppm1 2.869 ppm2 0.809
ASSI { 150}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 14 and name HG ))
3.889 0.778 0.778 peak 150 weight 1.00000E+00 volume 5.84015E+04 ppm1 3.996 ppm2 1.738
ASSI { 150}
(( segid " B" and resid 15 and name HA ))
(( segid " B" and resid 14 and name HG ))
3.889 0.778 0.778 peak 150 weight 1.00000E+00 volume 5.84015E+04 ppm1 3.996 ppm2 1.738
!25HA
ASSI { 97}
(( segid " B" and resid 12 and name HB2 ))
(( segid " B" and resid 12 and name HA ))
3.983 0.797 0.797 peak 97 weight 1.00000E+00 volume 6.41621E+04 ppm1 2.165 ppm2 4.094
ASSI { 97}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 12 and name HA ))
3.983 0.797 0.797 peak 97 weight 1.00000E+00 volume 6.41621E+04 ppm1 2.165 ppm2 4.094
ASSI { 8}
(( segid " B" and resid 31 and name HB ))
( segid " B" and resid 31 and name HG2#)
3.214 0.643 0.643 peak 8 weight 1.00000E+00 volume 2.71855E+05 ppm1 2.269 ppm2 0.877
ASSI { 8}
(( segid " A" and resid 31 and name HB ))
( segid " A" and resid 31 and name HG2#)
3.214 0.643 0.643 peak 8 weight 1.00000E+00 volume 2.71855E+05 ppm1 2.269 ppm2 0.877
ASSI { 286}
(( segid " A" and resid 7 and name HG2 ))
(( segid " A" and resid 7 and name HA ))
3.483 0.697 0.697 peak 286 weight 1.00000E+00 volume 1.28807E+05 ppm1 3.924 ppm2 2.033
ASSI { 286}
(( segid " B" and resid 7 and name HG2 ))
(( segid " B" and resid 7 and name HA ))
3.483 0.697 0.697 peak 286 weight 1.00000E+00 volume 1.28807E+05 ppm1 3.924 ppm2 2.033
!11HB2
ASSI { 103}
(( segid " B" and resid 11 and name HB2 ))
(( segid " B" and resid 11 and name HA ))
3.522 0.704 0.704 peak 103 weight 1.00000E+00 volume 2.73502E+04 ppm1 4.015 ppm2 2.065
ASSI { 103}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 11 and name HA ))
3.522 0.704 0.704 peak 103 weight 1.00000E+00 volume 2.73502E+04 ppm1 4.015 ppm2 2.065
ASSI { 287}
(( segid " B" and resid 7 and name HA ))
(( segid " B" and resid 7 and name HG1 ))
3.941 0.788 0.788 peak 287 weight 1.00000E+00 volume 8.61740E+04 ppm1 3.920 ppm2 2.499
ASSI { 287}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HG1 ))
3.941 0.788 0.788 peak 287 weight 1.00000E+00 volume 8.61740E+04 ppm1 3.920 ppm2 2.499
ASSI { 214}
( segid " B" and resid 10 and name HG2#)
(( segid " B" and resid 10 and name HB ))
3.301 0.660 0.660 peak 214 weight 1.00000E+00 volume 1.72092E+05 ppm1 2.269 ppm2 0.880
ASSI { 214}
( segid " A" and resid 10 and name HG2#)
(( segid " A" and resid 10 and name HB ))
3.301 0.660 0.660 peak 214 weight 1.00000E+00 volume 1.72092E+05 ppm1 2.269 ppm2 0.880
! ASSI { 229}
! (( segid " B" and resid 16 and name HB1 ))
! (( segid " A" and resid 30 and name HB2 ))
! 3.919 0.784 0.784 peak 229 weight 1.00000E+00 volume 7.57129E+04 ppm1 2.013 ppm2 1.699
ASSI { 320}
( segid " B" and resid 30 and name HD2#)
(( segid " B" and resid 31 and name HN ))
3.711 0.742 0.742 peak 320 weight 1.00000E+00 volume 4.93231E+04 ppm1 0.873 ppm2 7.634
ASSI { 320}
( segid " A" and resid 30 and name HD2#)
(( segid " A" and resid 31 and name HN ))
3.711 0.742 0.742 peak 320 weight 1.00000E+00 volume 4.93231E+04 ppm1 0.873 ppm2 7.634
ASSI { 205}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 12 and name HG1 ))
3.165 0.633 0.633 peak 205 weight 1.00000E+00 volume 1.22006E+05 ppm1 2.193 ppm2 2.385
ASSI { 205}
(( segid " B" and resid 12 and name HB1 ))
(( segid " B" and resid 12 and name HG1 ))
3.165 0.633 0.633 peak 205 weight 1.00000E+00 volume 1.22006E+05 ppm1 2.193 ppm2 2.385
ASSI { 98}
(( segid " B" and resid 12 and name HB2 ))
(( segid " B" and resid 12 and name HG1 ))
3.702 0.740 0.740 peak 98 weight 1.00000E+00 volume 5.23730E+04 ppm1 2.552 ppm2 2.153
ASSI { 98}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 12 and name HG1 ))
3.702 0.740 0.740 peak 98 weight 1.00000E+00 volume 5.23730E+04 ppm1 2.552 ppm2 2.153
ASSI { 50}
(( segid " A" and resid 24 and name HA ))
( segid " A" and resid 24 and name HG2#)
3.875 0.775 0.775 peak 50 weight 1.00000E+00 volume -6.05793E+03 ppm1 0.895 ppm2 3.343
ASSI { 50}
(( segid " B" and resid 24 and name HA ))
( segid " B" and resid 24 and name HG2#)
3.875 0.775 0.775 peak 50 weight 1.00000E+00 volume -6.05793E+03 ppm1 0.895 ppm2 3.343
!10HG2#
ASSI { 152}
(( segid " A" and resid 27 and name HB2 ))
(( segid " A" and resid 24 and name HA ))
4.607 0.921 0.921 peak 152 weight 1.00000E+00 volume 6.05607E+04 ppm1 3.393 ppm2 1.246
ASSI { 152}
(( segid " B" and resid 27 and name HB2 ))
(( segid " B" and resid 24 and name HA ))
4.607 0.921 0.921 peak 152 weight 1.00000E+00 volume 6.05607E+04 ppm1 3.393 ppm2 1.246
!10HA
ASSI { 285}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HB2 ))
3.474 0.695 0.695 peak 285 weight 1.00000E+00 volume 1.65306E+05 ppm1 3.917 ppm2 2.237
ASSI { 285}
(( segid " B" and resid 7 and name HA ))
(( segid " B" and resid 7 and name HB2 ))
3.474 0.695 0.695 peak 285 weight 1.00000E+00 volume 1.65306E+05 ppm1 3.917 ppm2 2.237
ASSI { 265}
(( segid " A" and resid 5 and name HG1 ))
(( segid " A" and resid 5 and name HB1 ))
3.222 0.644 0.644 peak 265 weight 1.00000E+00 volume 1.75406E+05 ppm1 1.751 ppm2 2.058
ASSI { 265}
(( segid " B" and resid 5 and name HG1 ))
(( segid " B" and resid 5 and name HB1 ))
3.222 0.644 0.644 peak 265 weight 1.00000E+00 volume 1.75406E+05 ppm1 1.751 ppm2 2.058
ASSI { 3}
(( segid " B" and resid 32 and name HA2 ))
(( segid " B" and resid 29 and name HA ))
3.193 0.639 0.639 peak 3 weight 1.00000E+00 volume 3.61861E+05 ppm1 3.875 ppm2 4.093
ASSI { 3}
(( segid " A" and resid 32 and name HA2 ))
(( segid " A" and resid 29 and name HA ))
3.193 0.639 0.639 peak 3 weight 1.00000E+00 volume 3.61861E+05 ppm1 3.875 ppm2 4.093
!32HA2
ASSI { 33}
(( segid " A" and resid 27 and name HB2 ))
(( segid " B" and resid 27 and name HA ))
5.417 1.083 1.083 peak 33 weight 1.00000E+00 volume 2.36568E+04 ppm1 1.240 ppm2 3.949
ASSI { 33}
(( segid " B" and resid 27 and name HB2 ))
(( segid " A" and resid 27 and name HA ))
5.417 1.083 1.083 peak 33 weight 1.00000E+00 volume 2.36568E+04 ppm1 1.240 ppm2 3.949
ASSI { 72}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name HD1 ))
5.244 1.049 1.049 peak 72 weight 1.00000E+00 volume 2.97616E+04 ppm1 4.345 ppm2 7.404
ASSI { 72}
(( segid " B" and resid 19 and name HA ))
(( segid " B" and resid 19 and name HD1 ))
5.244 1.049 1.049 peak 72 weight 1.00000E+00 volume 2.97616E+04 ppm1 4.345 ppm2 7.404
ASSI { 74}
(( segid " B" and resid 18 and name HB2 ))
(( segid " B" and resid 19 and name HA ))
4.409 0.882 0.882 peak 74 weight 1.00000E+00 volume 3.44017E+04 ppm1 3.160 ppm2 4.367
ASSI { 74}
(( segid " A" and resid 18 and name HB2 ))
(( segid " A" and resid 19 and name HA ))
4.409 0.882 0.882 peak 74 weight 1.00000E+00 volume 3.44017E+04 ppm1 3.160 ppm2 4.367
!18HA
! ASSI { 293}
! (( segid " B" and resid 7 and name HA ))
! (( segid " B" and resid 3 and name HB1 ))
! 4.228 0.846 0.846 peak 293 weight 1.00000E+00 volume 5.61046E+04 ppm1 2.557 ppm2 3.932
!7HG1
ASSI { 288}
(( segid " B" and resid 7 and name HA ))
( segid " B" and resid 10 and name HG23)
3.723 0.745 0.745 peak 288 weight 1.00000E+00 volume 1.39082E+05 ppm1 3.927 ppm2 0.831
ASSI { 288}
(( segid " A" and resid 7 and name HA ))
( segid " A" and resid 10 and name HG23)
3.723 0.745 0.745 peak 288 weight 1.00000E+00 volume 1.39082E+05 ppm1 3.927 ppm2 0.831
ASSI { 297}
(( segid " A" and resid 16 and name HG2 ))
(( segid " A" and resid 16 and name HE2 ))
4.561 0.912 0.912 peak 297 weight 1.00000E+00 volume 3.36392E+04 ppm1 1.415 ppm2 3.344
ASSI { 297}
(( segid " B" and resid 16 and name HG2 ))
(( segid " B" and resid 16 and name HE2 ))
4.561 0.912 0.912 peak 297 weight 1.00000E+00 volume 3.36392E+04 ppm1 1.415 ppm2 3.344
ASSI { 109}
(( segid " B" and resid 8 and name HB1 ))
(( segid " B" and resid 8 and name HA ))
4.063 0.813 0.813 peak 109 weight 1.00000E+00 volume 8.56652E+04 ppm1 2.698 ppm2 4.370
ASSI { 109}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 8 and name HA ))
4.063 0.813 0.813 peak 109 weight 1.00000E+00 volume 8.56652E+04 ppm1 2.698 ppm2 4.370
ASSI { 174}
(( segid " A" and resid 21 and name HB1 ))
(( segid " A" and resid 18 and name HA ))
4.770 0.954 0.954 peak 174 weight 1.00000E+00 volume 2.48784E+04 ppm1 4.377 ppm2 2.168
ASSI { 174}
(( segid " B" and resid 21 and name HB1 ))
(( segid " B" and resid 18 and name HA ))
4.770 0.954 0.954 peak 174 weight 1.00000E+00 volume 2.48784E+04 ppm1 4.377 ppm2 2.168
ASSI { 122}
(( segid " A" and resid 3 and name HB2 ))
(( segid " A" and resid 3 and name HA ))
3.836 0.767 0.767 peak 122 weight 1.00000E+00 volume 6.69373E+04 ppm1 2.097 ppm2 4.166
ASSI { 122}
(( segid " B" and resid 3 and name HB2 ))
(( segid " B" and resid 3 and name HA ))
3.836 0.767 0.767 peak 122 weight 1.00000E+00 volume 6.69373E+04 ppm1 2.097 ppm2 4.166
! ASSI { 31}
! (( segid " B" and resid 27 and name HB2 ))
! (( segid " A" and resid 27 and name HB1 ))
! 4.068 0.814 0.814 peak 31 weight 1.00000E+00 volume 4.72481E+04 ppm1 1.246 ppm2 1.968
ASSI { 5}
(( segid " A" and resid 31 and name HB ))
(( segid " A" and resid 32 and name HA2 ))
3.908 0.782 0.782 peak 5 weight 1.00000E+00 volume 1.10536E+05 ppm1 4.181 ppm2 2.248
ASSI { 5}
(( segid " B" and resid 31 and name HB ))
(( segid " B" and resid 32 and name HA2 ))
3.908 0.782 0.782 peak 5 weight 1.00000E+00 volume 1.10536E+05 ppm1 4.181 ppm2 2.248
!!31HA
ASSI { 140}
(( segid " B" and resid 28 and name HA ))
(( segid " B" and resid 31 and name HB ))
5.615 1.123 1.123 peak 140 weight 1.00000E+00 volume 2.57514E+04 ppm1 3.807 ppm2 2.248
ASSI { 140}
(( segid " A" and resid 28 and name HA ))
(( segid " A" and resid 31 and name HB ))
5.615 1.123 1.123 peak 140 weight 1.00000E+00 volume 2.57514E+04 ppm1 3.807 ppm2 2.248
! ASSI { 120}
! (( segid " B" and resid 3 and name HB2 ))
! (( segid " A" and resid 3 and name HB1 ))
! 4.267 0.853 0.853 peak 120 weight 1.00000E+00 volume 1.38124E+05 ppm1 2.527 ppm2 2.062
ASSI { 80}
(( segid " B" and resid 17 and name HB2 ))
(( segid " A" and resid 17 and name HA ))
4.357 0.871 0.871 peak 80 weight 1.00000E+00 volume 4.55803E+04 ppm1 3.262 ppm2 4.363
ASSI { 80}
(( segid " A" and resid 17 and name HB2 ))
(( segid " B" and resid 17 and name HA ))
4.357 0.871 0.871 peak 80 weight 1.00000E+00 volume 4.55803E+04 ppm1 3.262 ppm2 4.363
ASSI { 81}
(( segid " A" and resid 17 and name HB1 ))
(( segid " B" and resid 17 and name HA ))
3.978 0.796 0.796 peak 81 weight 1.00000E+00 volume 5.91527E+04 ppm1 2.721 ppm2 4.360
ASSI { 81}
(( segid " B" and resid 17 and name HB1 ))
(( segid " A" and resid 17 and name HA ))
3.978 0.796 0.796 peak 81 weight 1.00000E+00 volume 5.91527E+04 ppm1 2.721 ppm2 4.360
ASSI { 208}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 12 and name HN ))
5.065 1.013 1.013 peak 208 weight 1.00000E+00 volume 5.66977E+04 ppm1 4.002 ppm2 8.254
ASSI { 208}
(( segid " B" and resid 13 and name HA ))
(( segid " B" and resid 12 and name HN ))
5.065 1.013 1.013 peak 208 weight 1.00000E+00 volume 5.66977E+04 ppm1 4.002 ppm2 8.254
ASSI { 338}
(( segid " A" and resid 28 and name HG1 ))
(( segid " A" and resid 24 and name HG1# ))
4.501 0.900 0.900 peak 338 weight 1.00000E+00 volume 3.53294E+04 ppm1 0.876 ppm2 1.713
ASSI { 338}
(( segid " B" and resid 28 and name HG1 ))
(( segid " B" and resid 24 and name HG1# ))
4.501 0.900 0.900 peak 338 weight 1.00000E+00 volume 3.53294E+04 ppm1 0.876 ppm2 1.713
!28HD1
ASSI { 200}
(( segid " A" and resid 13 and name HB2 ))
(( segid " A" and resid 17 and name HB2 ))
5.070 1.014 1.014 peak 200 weight 1.00000E+00 volume 3.02219E+04 ppm1 1.241 ppm2 3.258
ASSI { 200}
(( segid " B" and resid 13 and name HB2 ))
(( segid " B" and resid 17 and name HB2 ))
5.070 1.014 1.014 peak 200 weight 1.00000E+00 volume 3.02219E+04 ppm1 1.241 ppm2 3.258
ASSI { 88}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 14 and name HA ))
3.548 0.710 0.710 peak 88 weight 1.00000E+00 volume 8.17458E+04 ppm1 4.034 ppm2 1.882
ASSI { 88}
(( segid " B" and resid 14 and name HB1 ))
(( segid " B" and resid 14 and name HA ))
3.548 0.710 0.710 peak 88 weight 1.00000E+00 volume 8.17458E+04 ppm1 4.034 ppm2 1.882
ASSI { 143}
(( segid " A" and resid 28 and name HB1 ))
(( segid " A" and resid 29 and name HN ))
4.912 0.982 0.982 peak 143 weight 1.00000E+00 volume 4.58493E+04 ppm1 1.664 ppm2 7.288
ASSI { 143}
(( segid " B" and resid 28 and name HB1 ))
(( segid " B" and resid 29 and name HN ))
4.912 0.982 0.982 peak 143 weight 1.00000E+00 volume 4.58493E+04 ppm1 1.664 ppm2 7.288
ASSI { 53}
(( segid " A" and resid 23 and name HG1 ))
(( segid " A" and resid 23 and name HA ))
4.110 0.822 0.822 peak 53 weight 1.00000E+00 volume 7.03469E+04 ppm1 4.304 ppm2 2.058
ASSI { 53}
(( segid " B" and resid 23 and name HG1 ))
(( segid " B" and resid 23 and name HA ))
4.110 0.822 0.822 peak 53 weight 1.00000E+00 volume 7.03469E+04 ppm1 4.304 ppm2 2.058
ASSI { 9}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HB1 ))
3.928 0.786 0.786 peak 9 weight 1.00000E+00 volume 5.22487E+04 ppm1 4.205 ppm2 1.718
ASSI { 9}
(( segid " B" and resid 16 and name HA ))
(( segid " B" and resid 16 and name HB1 ))
3.928 0.786 0.786 peak 9 weight 1.00000E+00 volume 5.22487E+04 ppm1 4.205 ppm2 1.718
!30HA
ASSI { 224}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 8 and name HA ))
4.669 0.934 0.934 peak 224 weight 1.00000E+00 volume 3.82802E+04 ppm1 4.387 ppm2 2.092
ASSI { 224}
(( segid " B" and resid 11 and name HB2 ))
(( segid " B" and resid 8 and name HA ))
4.669 0.934 0.934 peak 224 weight 1.00000E+00 volume 3.82802E+04 ppm1 4.387 ppm2 2.092
ASSI { 125}
(( segid " A" and resid 31 and name HA ))
(( segid " A" and resid 30 and name HB1 ))
4.032 0.806 0.806 peak 125 weight 1.00000E+00 volume 6.66500E+04 ppm1 4.202 ppm2 1.632
ASSI { 125}
(( segid " B" and resid 31 and name HA ))
(( segid " B" and resid 30 and name HB1 ))
4.032 0.806 0.806 peak 125 weight 1.00000E+00 volume 6.66500E+04 ppm1 4.202 ppm2 1.632
!30HA
ASSI { 96}
(( segid " B" and resid 12 and name HB2 ))
(( segid " B" and resid 12 and name HA ))
3.514 0.703 0.703 peak 96 weight 1.00000E+00 volume 2.09478E+05 ppm1 4.115 ppm2 2.156
ASSI { 96}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 12 and name HA ))
3.514 0.703 0.703 peak 96 weight 1.00000E+00 volume 2.09478E+05 ppm1 4.115 ppm2 2.156
! ASSI { 180}
! (( segid " A" and resid 14 and name HB2 ))
! (( segid " A" and resid 16 and name HG2 ))
! 4.105 0.821 0.821 peak 180 weight 1.00000E+00 volume 8.38269E+04 ppm1 1.866 ppm2 1.432
!16HB2
ASSI { 164}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 23 and name HN ))
4.566 0.913 0.913 peak 164 weight 1.00000E+00 volume 3.04252E+04 ppm1 2.822 ppm2 8.035
ASSI { 164}
(( segid " B" and resid 22 and name HB1 ))
(( segid " B" and resid 23 and name HN ))
4.566 0.913 0.913 peak 164 weight 1.00000E+00 volume 3.04252E+04 ppm1 2.822 ppm2 8.035
! ASSI { 106}
! (( segid " A" and resid 10 and name HA ))
! (( segid " A" and resid 7 and name HB1 ))
! 4.740 0.948 0.948 peak 106 weight 1.00000E+00 volume 1.65667E+04 ppm1 3.391 ppm2 2.202
!10HB
ASSI { 40}
(( segid " B" and resid 21 and name HB2 ))
(( segid " B" and resid 21 and name HA ))
3.667 0.733 0.733 peak 40 weight 1.00000E+00 volume 1.16748E+05 ppm1 3.990 ppm2 2.063
ASSI { 40}
(( segid " A" and resid 21 and name HB2 ))
(( segid " A" and resid 21 and name HA ))
3.667 0.733 0.733 peak 40 weight 1.00000E+00 volume 1.16748E+05 ppm1 3.990 ppm2 2.063
!11HA
ASSI { 107}
(( segid " B" and resid 10 and name HA ))
( segid " B" and resid 10 and name HG2#)
3.129 0.626 0.626 peak 107 weight 1.00000E+00 volume 3.23555E+05 ppm1 3.395 ppm2 0.870
ASSI { 107}
(( segid " A" and resid 10 and name HA ))
( segid " A" and resid 10 and name HG2#)
3.129 0.626 0.626 peak 107 weight 1.00000E+00 volume 3.23555E+05 ppm1 3.395 ppm2 0.870
ASSI { 60}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 22 and name HA ))
3.920 0.784 0.784 peak 60 weight 1.00000E+00 volume 7.37213E+04 ppm1 4.421 ppm2 2.763
ASSI { 60}
(( segid " B" and resid 22 and name HB1 ))
(( segid " B" and resid 22 and name HA ))
3.920 0.784 0.784 peak 60 weight 1.00000E+00 volume 7.37213E+04 ppm1 4.421 ppm2 2.763
ASSI { 226}
(( segid " B" and resid 9 and name HB1 ))
(( segid " B" and resid 6 and name HA ))
4.070 0.814 0.814 peak 226 weight 1.00000E+00 volume 7.39696E+04 ppm1 4.143 ppm2 1.699
ASSI { 226}
(( segid " A" and resid 9 and name HB1 ))
(( segid " A" and resid 6 and name HA ))
4.070 0.814 0.814 peak 226 weight 1.00000E+00 volume 7.39696E+04 ppm1 4.143 ppm2 1.699
ASSI { 113}
(( segid " A" and resid 6 and name HB2 ))
( segid " B" and resid 6 and name HD1#)
3.924 0.785 0.785 peak 113 weight 1.00000E+00 volume 9.28713E+04 ppm1 1.452 ppm2 0.850
ASSI { 113}
(( segid " B" and resid 6 and name HB2 ))
( segid " A" and resid 6 and name HD1#)
3.924 0.785 0.785 peak 113 weight 1.00000E+00 volume 9.28713E+04 ppm1 1.452 ppm2 0.850
ASSI { 247}
(( segid " B" and resid 17 and name HB2 ))
(( segid " B" and resid 18 and name HB2 ))
3.544 0.709 0.709 peak 247 weight 1.00000E+00 volume 1.34432E+05 ppm1 3.164 ppm2 3.235
ASSI { 247}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 18 and name HB2 ))
3.544 0.709 0.709 peak 247 weight 1.00000E+00 volume 1.34432E+05 ppm1 3.164 ppm2 3.235
!18HB1
ASSI { 259}
(( segid " A" and resid 2 and name HB1 ))
(( segid " B" and resid 2 and name HB2 ))
4.234 0.847 0.847 peak 259 weight 1.00000E+00 volume 1.50806E+05 ppm1 4.143 ppm2 3.901
ASSI { 259}
(( segid " B" and resid 2 and name HB1 ))
(( segid " A" and resid 2 and name HB2 ))
4.234 0.847 0.847 peak 259 weight 1.00000E+00 volume 1.50806E+05 ppm1 4.143 ppm2 3.901
ASSI { 175}
(( segid " B" and resid 17 and name HA ))
( segid " B" and resid 20 and name HD11)
4.682 0.936 0.936 peak 175 weight 1.00000E+00 volume 5.74853E+04 ppm1 4.375 ppm2 0.857
ASSI { 175}
(( segid " A" and resid 17 and name HA ))
( segid " A" and resid 20 and name HD11)
4.682 0.936 0.936 peak 175 weight 1.00000E+00 volume 5.74853E+04 ppm1 4.375 ppm2 0.857
ASSI { 191}
( segid " B" and resid 14 and name HD12)
(( segid " B" and resid 17 and name HB2 ))
4.016 0.803 0.803 peak 191 weight 1.00000E+00 volume 7.70093E+04 ppm1 0.865 ppm2 3.252
ASSI { 191}
( segid " A" and resid 14 and name HD12)
(( segid " A" and resid 17 and name HB2 ))
4.016 0.803 0.803 peak 191 weight 1.00000E+00 volume 7.70093E+04 ppm1 0.865 ppm2 3.252
!30HD1#
ASSI { 225}
(( segid " B" and resid 8 and name HB2 ))
(( segid " B" and resid 6 and name HN ))
5.135 1.027 1.027 peak 225 weight 1.00000E+00 volume 3.13193E+04 ppm1 2.857 ppm2 7.897
ASSI { 225}
(( segid " A" and resid 8 and name HB2 ))
(( segid " A" and resid 6 and name HN ))
5.135 1.027 1.027 peak 225 weight 1.00000E+00 volume 3.13193E+04 ppm1 2.857 ppm2 7.897
!9HN
ASSI { 62}
(( segid " B" and resid 21 and name HB1 ))
(( segid " B" and resid 21 and name HA ))
3.802 0.760 0.760 peak 62 weight 1.00000E+00 volume 1.09527E+05 ppm1 2.192 ppm2 3.988
ASSI { 62}
(( segid " A" and resid 21 and name HB1 ))
(( segid " A" and resid 21 and name HA ))
3.802 0.760 0.760 peak 62 weight 1.00000E+00 volume 1.09527E+05 ppm1 2.192 ppm2 3.988
!11HB1
ASSI { 342}
(( segid " B" and resid 6 and name HB1 ))
(( segid " B" and resid 6 and name HG ))
3.315 0.663 0.663 peak 342 weight 1.00000E+00 volume 1.00530E+05 ppm1 1.772 ppm2 1.975
ASSI { 342}
(( segid " A" and resid 6 and name HB1 ))
(( segid " A" and resid 6 and name HG ))
3.315 0.663 0.663 peak 342 weight 1.00000E+00 volume 1.00530E+05 ppm1 1.772 ppm2 1.975
ASSI { 196}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 13 and name HA ))
3.359 0.672 0.672 peak 196 weight 1.00000E+00 volume 1.93893E+05 ppm1 4.004 ppm2 1.895
ASSI { 196}
(( segid " B" and resid 16 and name HB2 ))
(( segid " B" and resid 13 and name HA ))
3.359 0.672 0.672 peak 196 weight 1.00000E+00 volume 1.93893E+05 ppm1 4.004 ppm2 1.895
ASSI { 193}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 14 and name HN ))
4.551 0.910 0.910 peak 193 weight 1.00000E+00 volume 4.09124E+04 ppm1 3.983 ppm2 8.984
ASSI { 193}
(( segid " B" and resid 13 and name HA ))
(( segid " B" and resid 14 and name HN ))
4.551 0.910 0.910 peak 193 weight 1.00000E+00 volume 4.09124E+04 ppm1 3.983 ppm2 8.984
! ASSI { 279}
! (( segid " A" and resid 9 and name HA ))
! (( segid " A" and resid 9 and name HG1 ))
! 4.348 0.870 0.870 peak 279 weight 1.00000E+00 volume 4.36071E+04 ppm1 1.561 ppm2 4.171
!29HG1
ASSI { 325}
(( segid " A" and resid 32 and name HA1 ))
( segid " A" and resid 31 and name HG2#)
3.828 0.766 0.766 peak 325 weight 1.00000E+00 volume 4.16097E+04 ppm1 0.916 ppm2 4.147
ASSI { 178}
(( segid " B" and resid 16 and name HA ))
(( segid " B" and resid 19 and name HB2 ))
4.616 0.923 0.923 peak 178 weight 1.00000E+00 volume 3.04367E+04 ppm1 4.197 ppm2 3.490
ASSI { 178}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 19 and name HB2 ))
4.616 0.923 0.923 peak 178 weight 1.00000E+00 volume 3.04367E+04 ppm1 4.197 ppm2 3.490
ASSI { 20}
(( segid " A" and resid 29 and name HG2 ))
(( segid " A" and resid 29 and name HE1 ))
4.120 0.824 0.824 peak 20 weight 1.00000E+00 volume 8.32938E+04 ppm1 1.425 ppm2 2.892
ASSI { 20}
(( segid " B" and resid 29 and name HG2 ))
(( segid " B" and resid 29 and name HE1 ))
4.120 0.824 0.824 peak 20 weight 1.00000E+00 volume 8.32938E+04 ppm1 1.425 ppm2 2.892
! ASSI { 261}
! (( segid " A" and resid 3 and name HB2 ))
! (( segid " A" and resid 4 and name HE1 ))
! 4.464 0.893 0.893 peak 261 weight 1.00000E+00 volume 3.45786E+04 ppm1 2.086 ppm2 3.326
ASSI { 332}
(( segid " A" and resid 28 and name HB2 ))
(( segid " A" and resid 28 and name HE2 ))
4.448 0.890 0.890 peak 332 weight 1.00000E+00 volume 3.10306E+04 ppm1 1.900 ppm2 3.173
ASSI { 332}
(( segid " B" and resid 28 and name HB2 ))
(( segid " B" and resid 28 and name HE2 ))
4.448 0.890 0.890 peak 332 weight 1.00000E+00 volume 3.10306E+04 ppm1 1.900 ppm2 3.173
ASSI { 115}
( segid " A" and resid 6 and name HD2#)
(( segid " A" and resid 6 and name HA ))
3.459 0.692 0.692 peak 115 weight 1.00000E+00 volume 2.05976E+05 ppm1 0.880 ppm2 4.170
ASSI { 115}
( segid " B" and resid 6 and name HD2#)
(( segid " B" and resid 6 and name HA ))
3.459 0.692 0.692 peak 115 weight 1.00000E+00 volume 2.05976E+05 ppm1 0.880 ppm2 4.170
!15HA
ASSI { 350}
(( segid " B" and resid 11 and name HB2 ))
(( segid " B" and resid 8 and name HE2 ))
4.782 0.956 0.956 peak 350 weight 1.00000E+00 volume 4.02762E+04 ppm1 2.108 ppm2 3.531
ASSI { 350}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 8 and name HE2 ))
4.782 0.956 0.956 peak 350 weight 1.00000E+00 volume 4.02762E+04 ppm1 2.108 ppm2 3.531
!26HD1
ASSI { 296}
(( segid " A" and resid 16 and name HG1 ))
(( segid " A" and resid 16 and name HE1 ))
4.440 0.888 0.888 peak 296 weight 1.00000E+00 volume 2.93652E+04 ppm1 1.616 ppm2 2.978
ASSI { 296}
(( segid " B" and resid 16 and name HG1 ))
(( segid " B" and resid 16 and name HE1 ))
4.440 0.888 0.888 peak 296 weight 1.00000E+00 volume 2.93652E+04 ppm1 1.616 ppm2 2.978
ASSI { 315}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 14 and name HG ))
4.908 0.982 0.982 peak 315 weight 1.00000E+00 volume 3.45379E+04 ppm1 1.775 ppm2 3.992
ASSI { 315}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 14 and name HG ))
4.908 0.982 0.982 peak 315 weight 1.00000E+00 volume 3.45379E+04 ppm1 1.775 ppm2 3.992
!13HA
ASSI { 223}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 11 and name HN ))
4.621 0.924 0.924 peak 223 weight 1.00000E+00 volume 3.58849E+04 ppm1 4.397 ppm2 7.906
ASSI { 223}
(( segid " B" and resid 8 and name HA ))
(( segid " B" and resid 11 and name HN ))
4.621 0.924 0.924 peak 223 weight 1.00000E+00 volume 3.58849E+04 ppm1 4.397 ppm2 7.906
ASSI { 202}
(( segid " B" and resid 14 and name HB2 ))
( segid " A" and resid 13 and name HD22)
3.141 0.628 0.628 peak 202 weight 1.00000E+00 volume 2.99937E+05 ppm1 0.860 ppm2 1.887
ASSI { 202}
(( segid " A" and resid 14 and name HB2 ))
( segid " B" and resid 13 and name HD22)
3.141 0.628 0.628 peak 202 weight 1.00000E+00 volume 2.99937E+05 ppm1 0.860 ppm2 1.887
!16HB2
ASSI { 166}
(( segid " B" and resid 21 and name HB2 ))
(( segid " B" and resid 21 and name HA ))
3.667 0.733 0.733 peak 166 weight 1.00000E+00 volume 1.16748E+05 ppm1 3.996 ppm2 2.040
ASSI { 166}
(( segid " A" and resid 21 and name HB2 ))
(( segid " A" and resid 21 and name HA ))
3.667 0.733 0.733 peak 166 weight 1.00000E+00 volume 1.16748E+05 ppm1 3.996 ppm2 2.040
!11HB2
ASSI { 64}
(( segid " A" and resid 21 and name HG1 ))
(( segid " A" and resid 21 and name HA ))
3.667 0.733 0.733 peak 64 weight 1.00000E+00 volume 1.16748E+05 ppm1 3.991 ppm2 2.056
ASSI { 64}
(( segid " B" and resid 21 and name HG1 ))
(( segid " B" and resid 21 and name HA ))
3.667 0.733 0.733 peak 64 weight 1.00000E+00 volume 1.16748E+05 ppm1 3.991 ppm2 2.056
! ASSI { 1}
! (( segid " B" and resid 33 and name HA ))
! (( segid " A" and resid 11 and name HB2 ))
! 4.153 0.831 0.831 peak 1 weight 1.00000E+00 volume 9.94998E+04 ppm1 4.216 ppm2 2.072
! ASSI { 249}
! (( segid " A" and resid 27 and name HG ))
! ( segid " B" and resid 27 and name HD13)
! 5.026 1.005 1.005 peak 249 weight 1.00000E+00 volume 3.16953E+04 ppm1 1.631 ppm2 0.758
ASSI { 217}
( segid " A" and resid 10 and name HG21)
( segid " B" and resid 10 and name HG1#)
4.754 0.951 0.951 peak 217 weight 1.00000E+00 volume 3.86023E+04 ppm1 0.917 ppm2 1.037
ASSI { 217}
( segid " B" and resid 10 and name HG21)
( segid " A" and resid 10 and name HG1#)
4.754 0.951 0.951 peak 217 weight 1.00000E+00 volume 3.86023E+04 ppm1 0.917 ppm2 1.037
ASSI { 21}
(( segid " B" and resid 29 and name HA ))
(( segid " B" and resid 29 and name HG1 ))
4.197 0.839 0.839 peak 21 weight 1.00000E+00 volume 5.24647E+04 ppm1 1.425 ppm2 4.175
ASSI { 21}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 29 and name HG1 ))
4.197 0.839 0.839 peak 21 weight 1.00000E+00 volume 5.24647E+04 ppm1 1.425 ppm2 4.175
ASSI { 173}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 19 and name HN ))
4.628 0.926 0.926 peak 173 weight 1.00000E+00 volume 2.68268E+04 ppm1 4.375 ppm2 7.991
ASSI { 173}
(( segid " B" and resid 18 and name HA ))
(( segid " B" and resid 19 and name HN ))
4.628 0.926 0.926 peak 173 weight 1.00000E+00 volume 2.68268E+04 ppm1 4.375 ppm2 7.991
ASSI { 184}
(( segid " B" and resid 16 and name HE1 ))
( segid " B" and resid 20 and name HD1#)
4.270 0.854 0.854 peak 184 weight 1.00000E+00 volume 6.04230E+04 ppm1 2.978 ppm2 0.829
ASSI { 184}
(( segid " A" and resid 16 and name HE1 ))
( segid " A" and resid 20 and name HD1#)
4.270 0.854 0.854 peak 184 weight 1.00000E+00 volume 6.04230E+04 ppm1 2.978 ppm2 0.829
ASSI { 172}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 21 and name HN ))
4.508 0.902 0.902 peak 172 weight 1.00000E+00 volume 2.64365E+04 ppm1 4.354 ppm2 8.845
ASSI { 172}
(( segid " B" and resid 19 and name HA ))
(( segid " B" and resid 21 and name HN ))
4.508 0.902 0.902 peak 172 weight 1.00000E+00 volume 2.64365E+04 ppm1 4.354 ppm2 8.845
ASSI { 144}
(( segid " B" and resid 30 and name HB1 ))
(( segid " B" and resid 27 and name HA ))
3.816 0.763 0.763 peak 144 weight 1.00000E+00 volume 7.49615E+04 ppm1 3.990 ppm2 1.640
ASSI { 144}
(( segid " A" and resid 30 and name HB1 ))
(( segid " A" and resid 27 and name HA ))
3.816 0.763 0.763 peak 144 weight 1.00000E+00 volume 7.49615E+04 ppm1 3.990 ppm2 1.640
!13HA
! ASSI { 148}
! (( segid " A" and resid 26 and name HB1 ))
1 (( segid " A" and resid 27 and name HN ))
! 4.944 0.989 0.989 peak 148 weight 1.00000E+00 volume 3.97076E+04 ppm1 1.893 ppm2 8.439
ASSI { 22}
(( segid " A" and resid 29 and name HB1 ))
(( segid " A" and resid 29 and name HG1 ))
3.765 0.753 0.753 peak 22 weight 1.00000E+00 volume 1.09796E+05 ppm1 1.756 ppm2 1.424
ASSI { 22}
(( segid " B" and resid 29 and name HB1 ))
(( segid " B" and resid 29 and name HG1 ))
3.765 0.753 0.753 peak 22 weight 1.00000E+00 volume 1.09796E+05 ppm1 1.756 ppm2 1.424
ASSI { 336}
(( segid " B" and resid 24 and name HG1# ))
(( segid " B" and resid 28 and name HE2 ))
4.676 0.935 0.935 peak 336 weight 1.00000E+00 volume 4.19755E+04 ppm1 0.876 ppm2 3.072
ASSI { 336}
(( segid " A" and resid 24 and name HG1# ))
(( segid " A" and resid 28 and name HE2 ))
4.676 0.935 0.935 peak 336 weight 1.00000E+00 volume 4.19755E+04 ppm1 0.876 ppm2 3.072
!28HD1
ASSI { 324}
( segid " A" and resid 31 and name HG2#)
(( segid " A" and resid 32 and name HN ))
5.080 1.016 1.016 peak 324 weight 1.00000E+00 volume 7.16858E+04 ppm1 0.914 ppm2 7.819
ASSI { 324}
( segid " B" and resid 31 and name HG2#)
(( segid " B" and resid 32 and name HN ))
5.080 1.016 1.016 peak 324 weight 1.00000E+00 volume 7.16858E+04 ppm1 0.914 ppm2 7.819
ASSI { 67}
(( segid " B" and resid 21 and name HB1 ))
(( segid " B" and resid 21 and name HG2 ))
3.124 0.625 0.625 peak 67 weight 1.00000E+00 volume 2.24896E+05 ppm1 2.192 ppm2 2.446
ASSI { 67}
(( segid " A" and resid 21 and name HB1 ))
(( segid " A" and resid 21 and name HG2 ))
3.124 0.625 0.625 peak 67 weight 1.00000E+00 volume 2.24896E+05 ppm1 2.192 ppm2 2.446
!11HB!
ASSI { 131}
(( segid " B" and resid 21 and name HA ))
( segid " A" and resid 20 and name HD13)
3.198 0.640 0.640 peak 131 weight 1.00000E+00 volume 2.47616E+05 ppm1 3.994 ppm2 0.835
ASSI { 131}
(( segid " A" and resid 21 and name HA ))
( segid " B" and resid 20 and name HD13)
3.198 0.640 0.640 peak 131 weight 1.00000E+00 volume 2.47616E+05 ppm1 3.994 ppm2 0.835
!13HA
ASSI { 188}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 15 and name HN ))
5.118 1.024 1.024 peak 188 weight 1.00000E+00 volume 3.36379E+04 ppm1 4.006 ppm2 7.807
ASSI { 188}
(( segid " B" and resid 14 and name HA ))
(( segid " B" and resid 15 and name HN ))
5.118 1.024 1.024 peak 188 weight 1.00000E+00 volume 3.36379E+04 ppm1 4.006 ppm2 7.807
ASSI { 58}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 23 and name HA ))
4.344 0.869 0.869 peak 58 weight 1.00000E+00 volume 5.67542E+04 ppm1 2.814 ppm2 4.383
ASSI { 58}
(( segid " B" and resid 22 and name HB1 ))
(( segid " B" and resid 23 and name HA ))
4.344 0.869 0.869 peak 58 weight 1.00000E+00 volume 5.67542E+04 ppm1 2.814 ppm2 4.383
!22HA
ASSI { 116}
(( segid " B" and resid 5 and name HA ))
(( segid " B" and resid 5 and name HG1 ))
3.941 0.788 0.788 peak 116 weight 1.00000E+00 volume 1.00637E+05 ppm1 4.115 ppm2 2.425
ASSI { 116}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HG1 ))
3.941 0.788 0.788 peak 116 weight 1.00000E+00 volume 1.00637E+05 ppm1 4.115 ppm2 2.425
!4HA
ASSI { 27}
(( segid " B" and resid 28 and name HA ))
(( segid " B" and resid 28 and name HG2 ))
4.274 0.855 0.855 peak 27 weight 1.00000E+00 volume 5.91317E+04 ppm1 3.806 ppm2 1.240
ASSI { 27}
(( segid " A" and resid 28 and name HA ))
(( segid " A" and resid 28 and name HG2 ))
4.274 0.855 0.855 peak 27 weight 1.00000E+00 volume 5.91317E+04 ppm1 3.806 ppm2 1.240
ASSI { 230}
(( segid " B" and resid 13 and name HB1 ))
(( segid " A" and resid 13 and name HB2 ))
4.111 0.822 0.822 peak 230 weight 1.00000E+00 volume 7.44499E+04 ppm1 1.250 ppm2 2.064
ASSI { 230}
(( segid " A" and resid 13 and name HB1 ))
(( segid " B" and resid 13 and name HB2 ))
4.111 0.822 0.822 peak 230 weight 1.00000E+00 volume 7.44499E+04 ppm1 1.250 ppm2 2.064
ASSI { 63}
(( segid " A" and resid 21 and name HB2 ))
(( segid " A" and resid 21 and name HA ))
3.966 0.793 0.793 peak 63 weight 1.00000E+00 volume 5.58815E+04 ppm1 2.101 ppm2 3.999
ASSI { 63}
(( segid " B" and resid 21 and name HB2 ))
(( segid " B" and resid 21 and name HA ))
3.966 0.793 0.793 peak 63 weight 1.00000E+00 volume 5.58815E+04 ppm1 2.101 ppm2 3.999
!11HB2
ASSI { 71}
(( segid " B" and resid 19 and name HB2 ))
(( segid " B" and resid 19 and name HE1 ))
5.007 1.001 1.001 peak 71 weight 1.00000E+00 volume 3.26682E+04 ppm1 3.469 ppm2 8.287
ASSI { 71}
(( segid " A" and resid 19 and name HB2 ))
(( segid " A" and resid 19 and name HE1 ))
5.007 1.001 1.001 peak 71 weight 1.00000E+00 volume 3.26682E+04 ppm1 3.469 ppm2 8.287
ASSI { 89}
(( segid " B" and resid 14 and name HA ))
( segid " B" and resid 14 and name HD1#)
3.372 0.674 0.674 peak 89 weight 1.00000E+00 volume 1.81772E+05 ppm1 4.032 ppm2 0.842
ASSI { 89}
(( segid " A" and resid 14 and name HA ))
( segid " A" and resid 14 and name HD1#)
3.372 0.674 0.674 peak 89 weight 1.00000E+00 volume 1.81772E+05 ppm1 4.032 ppm2 0.842
ASSI { 12}
(( segid " A" and resid 3 and name HB1 ))
(( segid " A" and resid 4 and name HA ))
4.118 0.824 0.824 peak 12 weight 1.00000E+00 volume 5.40038E+04 ppm1 4.176 ppm2 2.497
!29HA
ASSI { 12}
(( segid " B" and resid 3 and name HB1 ))
(( segid " B" and resid 4 and name HA ))
4.118 0.824 0.824 peak 12 weight 1.00000E+00 volume 5.40038E+04 ppm1 4.176 ppm2 2.497
! ASSI { 121}
! (( segid " A" and resid 3 and name HB1 ))
! (( segid " B" and resid 3 and name HA ))
! 4.365 0.873 0.873 peak 121 weight 1.00000E+00 volume 4.22356E+04 ppm1 2.542 ppm2 4.166
ASSI { 41}
(( segid " A" and resid 26 and name HB1 ))
(( segid " A" and resid 27 and name HA ))
5.104 1.021 1.021 peak 41 weight 1.00000E+00 volume 1.55950E+04 ppm1 1.877 ppm2 3.971
ASSI { 41}
(( segid " B" and resid 26 and name HB1 ))
(( segid " B" and resid 27 and name HA ))
5.104 1.021 1.021 peak 41 weight 1.00000E+00 volume 1.55950E+04 ppm1 1.877 ppm2 3.971
!11HA
ASSI { 192}
(( segid " B" and resid 13 and name HA ))
( segid " B" and resid 13 and name HD2#)
3.163 0.633 0.633 peak 192 weight 1.00000E+00 volume 3.75499E+05 ppm1 3.992 ppm2 0.811
ASSI { 192}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 13 and name HD2#)
3.163 0.633 0.633 peak 192 weight 1.00000E+00 volume 3.75499E+05 ppm1 3.992 ppm2 0.811
ASSI { 79}
(( segid " A" and resid 17 and name HB2 ))
(( segid " B" and resid 17 and name HA ))
4.935 0.987 0.987 peak 79 weight 1.00000E+00 volume 1.47563E+04 ppm1 4.364 ppm2 3.249
ASSI { 79}
(( segid " B" and resid 17 and name HB2 ))
(( segid " A" and resid 17 and name HA ))
4.935 0.987 0.987 peak 79 weight 1.00000E+00 volume 1.47563E+04 ppm1 4.364 ppm2 3.249
ASSI { 108}
(( segid " B" and resid 8 and name HB1 ))
(( segid " B" and resid 8 and name HA ))
3.663 0.733 0.733 peak 108 weight 1.00000E+00 volume 1.06797E+05 ppm1 4.388 ppm2 2.697
ASSI { 108}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 8 and name HA ))
3.663 0.733 0.733 peak 108 weight 1.00000E+00 volume 1.06797E+05 ppm1 4.388 ppm2 2.697
ASSI { 128}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 26 and name HG2 ))
3.856 0.771 0.771 peak 128 weight 1.00000E+00 volume 1.26329E+05 ppm1 4.005 ppm2 2.172
ASSI { 128}
(( segid " B" and resid 26 and name HA ))
(( segid " B" and resid 26 and name HG2 ))
3.856 0.771 0.771 peak 128 weight 1.00000E+00 volume 1.26329E+05 ppm1 4.005 ppm2 2.172
!11HA
ASSI { 147}
(( segid " B" and resid 25 and name HA ))
(( segid " B" and resid 27 and name HN ))
5.138 1.028 1.028 peak 147 weight 1.00000E+00 volume 4.27218E+04 ppm1 3.977 ppm2 8.429
ASSI { 147}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 27 and name HN ))
5.138 1.028 1.028 peak 147 weight 1.00000E+00 volume 4.27218E+04 ppm1 3.977 ppm2 8.429
!11HA
ASSI { 294}
(( segid " A" and resid 16 and name HG1 ))
(( segid " A" and resid 16 and name HE1 ))
3.933 0.787 0.787 peak 294 weight 1.00000E+00 volume 1.76422E+05 ppm1 2.977 ppm2 1.610
ASSI { 294}
(( segid " B" and resid 16 and name HG1 ))
(( segid " B" and resid 16 and name HE1 ))
3.933 0.787 0.787 peak 294 weight 1.00000E+00 volume 1.76422E+05 ppm1 2.977 ppm2 1.610
ASSI { 333}
(( segid " A" and resid 28 and name HB1 ))
(( segid " A" and resid 29 and name HB2 ))
4.657 0.931 0.931 peak 333 weight 1.00000E+00 volume 5.19043E+04 ppm1 1.927 ppm2 1.619
ASSI { 333}
(( segid " B" and resid 28 and name HB1 ))
(( segid " B" and resid 29 and name HB2 ))
4.657 0.931 0.931 peak 333 weight 1.00000E+00 volume 5.19043E+04 ppm1 1.927 ppm2 1.619
!28HB2
ASSI { 51}
(( segid " B" and resid 20 and name HG ))
( segid " B" and resid 20 and name HG1#)
3.203 0.641 0.641 peak 51 weight 1.00000E+00 volume 2.01547E+05 ppm1 0.895 ppm2 1.990
ASSI { 51}
(( segid " A" and resid 20 and name HG ))
( segid " A" and resid 20 and name HG1#)
3.203 0.641 0.641 peak 51 weight 1.00000E+00 volume 2.01547E+05 ppm1 0.895 ppm2 1.990
!10HG2#
ASSI { 341}
( segid " A" and resid 6 and name HD2#)
(( segid " A" and resid 6 and name HG ))
3.256 0.651 0.651 peak 341 weight 1.00000E+00 volume 2.27329E+05 ppm1 1.772 ppm2 0.815
ASSI { 341}
( segid " B" and resid 6 and name HD2#)
(( segid " B" and resid 6 and name HG ))
3.256 0.651 0.651 peak 341 weight 1.00000E+00 volume 2.27329E+05 ppm1 1.772 ppm2 0.815
ASSI { 17}
(( segid " A" and resid 16 and name HB1 ))
(( segid " A" and resid 16 and name HA ))
3.898 0.780 0.780 peak 17 weight 1.00000E+00 volume 5.06404E+04 ppm1 1.757 ppm2 4.180
ASSI { 17}
(( segid " B" and resid 16 and name HB1 ))
(( segid " B" and resid 16 and name HA ))
3.898 0.780 0.780 peak 17 weight 1.00000E+00 volume 5.06404E+04 ppm1 1.757 ppm2 4.180
!4HB1
ASSI { 90}
(( segid " B" and resid 14 and name HB1 ))
( segid " B" and resid 14 and name HD1#)
4.075 0.815 0.815 peak 90 weight 1.00000E+00 volume 8.08280E+04 ppm1 1.914 ppm2 0.799
ASSI { 90}
(( segid " A" and resid 14 and name HB1 ))
( segid " A" and resid 14 and name HD1#)
4.075 0.815 0.815 peak 90 weight 1.00000E+00 volume 8.08280E+04 ppm1 1.914 ppm2 0.799
! ASSI { 203}
! (( segid " B" and resid 12 and name HA ))
! (( segid " B" and resid 15 and name HN ))
! 4.849 0.970 0.970 peak 203 weight 1.00000E+00 volume 3.10889E+04 ppm1 4.120 ppm2 7.806
! ASSI { 228}
! (( segid " A" and resid 30 and name HB2 ))
! (( segid " A" and resid 6 and name HB2 ))
! 4.152 0.830 0.830 peak 228 weight 1.00000E+00 volume 6.75996E+04 ppm1 1.998 ppm2 1.430
ASSI { 302}
(( segid " B" and resid 26 and name HB1 ))
(( segid " B" and resid 27 and name HG ))
3.873 0.775 0.775 peak 302 weight 1.00000E+00 volume 4.51367E+04 ppm1 1.624 ppm2 1.906
ASSI { 302}
(( segid " A" and resid 26 and name HB1 ))
(( segid " A" and resid 27 and name HG ))
3.873 0.775 0.775 peak 302 weight 1.00000E+00 volume 4.51367E+04 ppm1 1.624 ppm2 1.906
!26HB2
ASSI { 87}
(( segid " A" and resid 16 and name HG1 ))
(( segid " A" and resid 14 and name HA ))
4.321 0.864 0.864 peak 87 weight 1.00000E+00 volume 2.14589E+04 ppm1 1.919 ppm2 4.030
ASSI { 87}
(( segid " B" and resid 16 and name HG1 ))
(( segid " B" and resid 14 and name HA ))
4.321 0.864 0.864 peak 87 weight 1.00000E+00 volume 2.14589E+04 ppm1 1.919 ppm2 4.030
!14HB1
ASSI { 38}
(( segid " A" and resid 27 and name HB2 ))
( segid " A" and resid 27 and name HD1#)
3.969 0.794 0.794 peak 38 weight 1.00000E+00 volume 7.24454E+04 ppm1 1.252 ppm2 0.809
ASSI { 38}
(( segid " B" and resid 27 and name HB2 ))
( segid " B" and resid 27 and name HD1#)
3.969 0.794 0.794 peak 38 weight 1.00000E+00 volume 7.24454E+04 ppm1 1.252 ppm2 0.809
ASSI { 99}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 12 and name HG1 ))
3.091 0.618 0.618 peak 99 weight 1.00000E+00 volume 6.10907E+04 ppm1 2.337 ppm2 2.144
ASSI { 99}
(( segid " B" and resid 12 and name HB1 ))
(( segid " B" and resid 12 and name HG1 ))
3.091 0.618 0.618 peak 99 weight 1.00000E+00 volume 6.10907E+04 ppm1 2.337 ppm2 2.144
ASSI { 252}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 29 and name HD2 ))
4.065 0.813 0.813 peak 252 weight 1.00000E+00 volume 6.02513E+04 ppm1 4.138 ppm2 0.884
ASSI { 252}
(( segid " B" and resid 29 and name HA ))
(( segid " B" and resid 29 and name HD2 ))
4.065 0.813 0.813 peak 252 weight 1.00000E+00 volume 6.02513E+04 ppm1 4.138 ppm2 0.884
ASSI { 139}
(( segid " B" and resid 28 and name HA ))
(( segid " B" and resid 29 and name HA ))
4.004 0.801 0.801 peak 139 weight 1.00000E+00 volume 9.85132E+04 ppm1 3.801 ppm2 4.164
ASSI { 139}
(( segid " A" and resid 28 and name HA ))
(( segid " A" and resid 29 and name HA ))
4.004 0.801 0.801 peak 139 weight 1.00000E+00 volume 9.85132E+04 ppm1 3.801 ppm2 4.164
ASSI { 34}
(( segid " A" and resid 27 and name HB1 ))
(( segid " A" and resid 27 and name HA ))
3.333 0.667 0.667 peak 34 weight 1.00000E+00 volume 1.92097E+05 ppm1 3.990 ppm2 1.950
ASSI { 34}
(( segid " B" and resid 27 and name HB1 ))
(( segid " B" and resid 27 and name HA ))
3.333 0.667 0.667 peak 34 weight 1.00000E+00 volume 1.92097E+05 ppm1 3.990 ppm2 1.950
!13HA
ASSI { 29}
(( segid " B" and resid 27 and name HB1 ))
(( segid " A" and resid 27 and name HA ))
4.544 0.909 0.909 peak 29 weight 1.00000E+00 volume 3.82130E+04 ppm1 1.973 ppm2 3.979
ASSI { 29}
(( segid " A" and resid 27 and name HB1 ))
(( segid " B" and resid 27 and name HA ))
4.544 0.909 0.909 peak 29 weight 1.00000E+00 volume 3.82130E+04 ppm1 1.973 ppm2 3.979
ASSI { 310}
(( segid " A" and resid 5 and name HB1 ))
(( segid " A" and resid 5 and name HG1 ))
3.818 0.764 0.764 peak 310 weight 1.00000E+00 volume 5.71953E+04 ppm1 1.747 ppm2 2.425
ASSI { 310}
(( segid " B" and resid 5 and name HB1 ))
(( segid " B" and resid 5 and name HG1 ))
3.818 0.764 0.764 peak 310 weight 1.00000E+00 volume 5.71953E+04 ppm1 1.747 ppm2 2.425
ASSI { 110}
(( segid " A" and resid 6 and name HA ))
(( segid " B" and resid 6 and name HB2 ))
4.447 0.889 0.889 peak 110 weight 1.00000E+00 volume 3.85830E+04 ppm1 1.467 ppm2 4.162
ASSI { 110}
(( segid " B" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB2 ))
4.447 0.889 0.889 peak 110 weight 1.00000E+00 volume 3.85830E+04 ppm1 1.467 ppm2 4.162
ASSI { 271}
(( segid " A" and resid 16 and name HG1 ))
(( segid " A" and resid 16 and name HE2 ))
4.960 0.992 0.992 peak 271 weight 1.00000E+00 volume 4.48400E+04 ppm1 3.359 ppm2 1.612
ASSI { 271}
(( segid " B" and resid 16 and name HG1 ))
(( segid " B" and resid 16 and name HE2 ))
4.960 0.992 0.992 peak 271 weight 1.00000E+00 volume 4.48400E+04 ppm1 3.359 ppm2 1.612
!9HE2
! ASSI { 142}
! (( segid " A" and resid 28 and name HG2 ))
! (( segid " A" and resid 28 and name HB1 ))
! 4.702 0.940 0.940 peak 142 weight 1.00000E+00 volume 3.80881E+04 ppm1 1.656 ppm2 1.252
ASSI { 136}
(( segid " B" and resid 29 and name HA ))
(( segid " B" and resid 29 and name HG1 ))
4.646 0.929 0.929 peak 136 weight 1.00000E+00 volume 3.00268E+04 ppm1 4.135 ppm2 1.428
ASSI { 136}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 29 and name HG1 ))
4.646 0.929 0.929 peak 136 weight 1.00000E+00 volume 3.00268E+04 ppm1 4.135 ppm2 1.428
ASSI { 100}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HG1 ))
3.941 0.788 0.788 peak 100 weight 1.00000E+00 volume 1.00637E+05 ppm1 4.119 ppm2 2.397
ASSI { 100}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 12 and name HG1 ))
3.941 0.788 0.788 peak 100 weight 1.00000E+00 volume 1.00637E+05 ppm1 4.119 ppm2 2.397
ASSI { 82}
(( segid " A" and resid 16 and name HB1 ))
(( segid " A" and resid 16 and name HA ))
4.006 0.801 0.801 peak 82 weight 1.00000E+00 volume 6.39961E+04 ppm1 4.187 ppm2 1.737
ASSI { 82}
(( segid " B" and resid 16 and name HB1 ))
(( segid " B" and resid 16 and name HA ))
4.006 0.801 0.801 peak 82 weight 1.00000E+00 volume 6.39961E+04 ppm1 4.187 ppm2 1.737
ASSI { 76}
(( segid " B" and resid 18 and name HA ))
( segid " B" and resid 18 and name HD2 )
4.420 0.884 0.884 peak 76 weight 1.00000E+00 volume 4.83342E+04 ppm1 4.372 ppm2 7.361
ASSI { 76}
(( segid " A" and resid 18 and name HA ))
( segid " A" and resid 18 and name HD2 )
4.420 0.884 0.884 peak 76 weight 1.00000E+00 volume 4.83342E+04 ppm1 4.372 ppm2 7.361
! ASSI { 35}
! (( segid " B" and resid 27 and name HB2 ))
! (( segid " B" and resid 13 and name HA ))
! 4.188 0.838 0.838 peak 35 weight 1.00000E+00 volume 6.79692E+04 ppm1 3.988 ppm2 1.232
ASSI { 112}
(( segid " B" and resid 6 and name HA ))
( segid " B" and resid 6 and name HD1#)
3.779 0.756 0.756 peak 112 weight 1.00000E+00 volume 1.09260E+05 ppm1 4.138 ppm2 0.880
ASSI { 112}
(( segid " A" and resid 6 and name HA ))
( segid " A" and resid 6 and name HD2#)
3.779 0.756 0.756 peak 112 weight 1.00000E+00 volume 1.09260E+05 ppm1 4.138 ppm2 0.880
ASSI { 69}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name HB2 ))
4.098 0.820 0.820 peak 69 weight 1.00000E+00 volume 6.61844E+04 ppm1 3.447 ppm2 4.343
ASSI { 69}
(( segid " B" and resid 19 and name HA ))
(( segid " B" and resid 19 and name HB2 ))
4.098 0.820 0.820 peak 69 weight 1.00000E+00 volume 6.61844E+04 ppm1 3.447 ppm2 4.343
ASSI { 37}
(( segid " A" and resid 27 and name HB1 ))
( segid " B" and resid 27 and name HD1#)
4.246 0.849 0.849 peak 37 weight 1.00000E+00 volume 4.06285E+04 ppm1 1.971 ppm2 0.800
ASSI { 37}
(( segid " B" and resid 27 and name HB1 ))
( segid " A" and resid 27 and name HD1#)
4.246 0.849 0.849 peak 37 weight 1.00000E+00 volume 4.06285E+04 ppm1 1.971 ppm2 0.800
ASSI { 6}
(( segid " B" and resid 31 and name HA ))
( segid " B" and resid 31 and name HG2#)
3.592 0.718 0.718 peak 6 weight 1.00000E+00 volume 2.07166E+05 ppm1 4.178 ppm2 0.863
ASSI { 6}
(( segid " A" and resid 31 and name HA ))
( segid " A" and resid 31 and name HG2#)
3.592 0.718 0.718 peak 6 weight 1.00000E+00 volume 2.07166E+05 ppm1 4.178 ppm2 0.863
ASSI { 314}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 13 and name HA ))
4.124 0.825 0.825 peak 314 weight 1.00000E+00 volume 4.03085E+04 ppm1 2.079 ppm2 3.994
ASSI { 314}
(( segid " B" and resid 12 and name HB2 ))
(( segid " B" and resid 13 and name HA ))
4.124 0.825 0.825 peak 314 weight 1.00000E+00 volume 4.03085E+04 ppm1 2.079 ppm2 3.994
ASSI { 123}
(( segid " B" and resid 31 and name HA ))
(( segid " A" and resid 30 and name HB1 ))
4.567 0.913 0.913 peak 123 weight 1.00000E+00 volume 4.62012E+04 ppm1 1.630 ppm2 4.171
ASSI { 123}
(( segid " A" and resid 31 and name HA ))
(( segid " B" and resid 30 and name HB1 ))
4.567 0.913 0.913 peak 123 weight 1.00000E+00 volume 4.62012E+04 ppm1 1.630 ppm2 4.171
!30HA
ASSI { 84}
(( segid " B" and resid 13 and name HG ))
(( segid " B" and resid 16 and name HG2 ))
3.794 0.759 0.759 peak 84 weight 1.00000E+00 volume 8.81485E+04 ppm1 1.752 ppm2 1.427
ASSI { 84}
(( segid " A" and resid 13 and name HG ))
(( segid " A" and resid 16 and name HG2 ))
3.794 0.759 0.759 peak 84 weight 1.00000E+00 volume 8.81485E+04 ppm1 1.752 ppm2 1.427
!16HB1
ASSI { 77}
(( segid " B" and resid 18 and name HB2 ))
( segid " B" and resid 18 and name HE# )
4.771 0.954 0.954 peak 77 weight 1.00000E+00 volume 5.56840E+04 ppm1 3.186 ppm2 7.088
ASSI { 77}
(( segid " A" and resid 18 and name HB2 ))
( segid " A" and resid 18 and name HE# )
4.771 0.954 0.954 peak 77 weight 1.00000E+00 volume 5.56840E+04 ppm1 3.186 ppm2 7.088
ASSI { 15}
(( segid " A" and resid 29 and name HB2 ))
(( segid " A" and resid 29 and name HA ))
3.552 0.710 0.710 peak 15 weight 1.00000E+00 volume 1.44881E+05 ppm1 4.153 ppm2 1.919
ASSI { 15}
(( segid " B" and resid 29 and name HB2 ))
(( segid " B" and resid 29 and name HA ))
3.552 0.710 0.710 peak 15 weight 1.00000E+00 volume 1.44881E+05 ppm1 4.153 ppm2 1.919
ASSI { 57}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 22 and name HA ))
3.986 0.797 0.797 peak 57 weight 1.00000E+00 volume 3.55298E+04 ppm1 2.738 ppm2 4.391
ASSI { 57}
(( segid " B" and resid 22 and name HB1 ))
(( segid " B" and resid 22 and name HA ))
3.986 0.797 0.797 peak 57 weight 1.00000E+00 volume 3.55298E+04 ppm1 2.738 ppm2 4.391
ASSI { 101}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 12 and name HG1 ))
4.151 0.830 0.830 peak 101 weight 1.00000E+00 volume 3.48520E+04 ppm1 2.363 ppm2 4.118
ASSI { 101}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HG1 ))
4.151 0.830 0.830 peak 101 weight 1.00000E+00 volume 3.48520E+04 ppm1 2.363 ppm2 4.118
ASSI { 47}
( segid " B" and resid 24 and name HG2#)
(( segid " B" and resid 24 and name HA ))
3.132 0.626 0.626 peak 47 weight 1.00000E+00 volume 3.27519E+05 ppm1 3.387 ppm2 0.867
ASSI { 47}
( segid " A" and resid 24 and name HG2#)
(( segid " A" and resid 24 and name HA ))
3.132 0.626 0.626 peak 47 weight 1.00000E+00 volume 3.27519E+05 ppm1 3.387 ppm2 0.867
!10HA
ASSI { 189}
(( segid " A" and resid 17 and name HB1 ))
(( segid " A" and resid 14 and name HA ))
4.393 0.879 0.879 peak 189 weight 1.00000E+00 volume 5.79288E+04 ppm1 4.043 ppm2 2.705
ASSI { 189}
(( segid " B" and resid 17 and name HB1 ))
(( segid " B" and resid 14 and name HA ))
4.393 0.879 0.879 peak 189 weight 1.00000E+00 volume 5.79288E+04 ppm1 4.043 ppm2 2.705
ASSI { 104}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 11 and name HG1 ))
3.573 0.715 0.715 peak 104 weight 1.00000E+00 volume 7.53937E+04 ppm1 4.017 ppm2 2.158
ASSI { 104}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HG1 ))
3.573 0.715 0.715 peak 104 weight 1.00000E+00 volume 7.53937E+04 ppm1 4.017 ppm2 2.158
! ASSI { 159}
! (( segid " A" and resid 23 and name HG1 ))
! (( segid " A" and resid 27 and name HN ))
! 4.742 0.948 0.948 peak 159 weight 1.00000E+00 volume 3.33110E+04 ppm1 2.056 ppm2 8.448
ASSI { 244}
(( segid " A" and resid 16 and name HB1 ))
(( segid " A" and resid 16 and name HD2 ))
4.194 0.839 0.839 peak 244 weight 1.00000E+00 volume 3.94142E+04 ppm1 1.761 ppm2 0.861
ASSI { 244}
(( segid " B" and resid 16 and name HB1 ))
(( segid " B" and resid 16 and name HD2 ))
4.194 0.839 0.839 peak 244 weight 1.00000E+00 volume 3.94142E+04 ppm1 1.761 ppm2 0.861
ASSI { 331}
(( segid " A" and resid 28 and name HB1 ))
(( segid " A" and resid 28 and name HE2 ))
4.560 0.912 0.912 peak 331 weight 1.00000E+00 volume 4.41941E+04 ppm1 1.639 ppm2 3.158
ASSI { 331}
(( segid " B" and resid 28 and name HB1 ))
(( segid " B" and resid 28 and name HE2 ))
4.560 0.912 0.912 peak 331 weight 1.00000E+00 volume 4.41941E+04 ppm1 1.639 ppm2 3.158
ASSI { 61}
(( segid " A" and resid 21 and name HB1 ))
(( segid " A" and resid 21 and name HA ))
3.856 0.771 0.771 peak 61 weight 1.00000E+00 volume 1.26329E+05 ppm1 4.002 ppm2 2.153
ASSI { 61}
(( segid " B" and resid 21 and name HB1 ))
(( segid " B" and resid 21 and name HA ))
3.856 0.771 0.771 peak 61 weight 1.00000E+00 volume 1.26329E+05 ppm1 4.002 ppm2 2.153
ASSI { 218}
(( segid " A" and resid 28 and name HB1 ))
(( segid " A" and resid 29 and name HA ))
4.279 0.856 0.856 peak 218 weight 1.00000E+00 volume 7.83458E+04 ppm1 4.186 ppm2 1.695
ASSI { 218}
(( segid " B" and resid 28 and name HB1 ))
(( segid " B" and resid 29 and name HA ))
4.279 0.856 0.856 peak 218 weight 1.00000E+00 volume 7.83458E+04 ppm1 4.186 ppm2 1.695
!9HB1
ASSI { 222}
(( segid " A" and resid 16 and name HG1 ))
(( segid " A" and resid 16 and name HE2 ))
4.567 0.913 0.913 peak 222 weight 1.00000E+00 volume 5.17062E+04 ppm1 3.066 ppm2 1.611
ASSI { 222}
(( segid " B" and resid 16 and name HG1 ))
(( segid " B" and resid 16 and name HE2 ))
4.567 0.913 0.913 peak 222 weight 1.00000E+00 volume 5.17062E+04 ppm1 3.066 ppm2 1.611
!9HE1
ASSI { 55}
(( segid " B" and resid 26 and name HG2 ))
(( segid " B" and resid 23 and name HA ))
4.002 0.800 0.800 peak 55 weight 1.00000E+00 volume 5.43516E+04 ppm1 2.077 ppm2 4.339
ASSI { 55}
(( segid " A" and resid 26 and name HG2 ))
(( segid " A" and resid 23 and name HA ))
4.002 0.800 0.800 peak 55 weight 1.00000E+00 volume 5.43516E+04 ppm1 2.077 ppm2 4.339
!23HB2
ASSI { 114}
(( segid " A" and resid 14 and name HB2 ))
( segid " B" and resid 13 and name HD1#)
3.587 0.717 0.717 peak 114 weight 1.00000E+00 volume 1.42101E+05 ppm1 0.884 ppm2 1.432
ASSI { 114}
(( segid " B" and resid 14 and name HB2 ))
( segid " A" and resid 13 and name HD1#)
3.587 0.717 0.717 peak 114 weight 1.00000E+00 volume 1.42101E+05 ppm1 0.884 ppm2 1.432
!6HD!#
ASSI { 134}
(( segid " A" and resid 30 and name HB1 ))
( segid " B" and resid 31 and name HG2#)
4.297 0.859 0.859 peak 134 weight 1.00000E+00 volume 4.90676E+04 ppm1 1.629 ppm2 0.832
ASSI { 134}
(( segid " B" and resid 30 and name HB1 ))
( segid " A" and resid 31 and name HG2#)
4.297 0.859 0.859 peak 134 weight 1.00000E+00 volume 4.90676E+04 ppm1 1.629 ppm2 0.832
!10HG2#
ASSI { 19}
(( segid " A" and resid 29 and name HB2 ))
(( segid " A" and resid 29 and name HG2 ))
3.744 0.749 0.749 peak 19 weight 1.00000E+00 volume 1.09759E+05 ppm1 1.435 ppm2 1.965
ASSI { 19}
(( segid " B" and resid 29 and name HB2 ))
(( segid " B" and resid 29 and name HG2 ))
3.744 0.749 0.749 peak 19 weight 1.00000E+00 volume 1.09759E+05 ppm1 1.435 ppm2 1.965
!new
! ASSI { 352}
! (( segid " A" and resid 2 and name HG ))
! (( segid " A" and resid 2 and name HB2 ))
! 4.698 0.940 0.940 peak 352 weight 1.00000E+00 volume 3.39787E+04 ppm1 4.127 ppm2 2.045
ASSI { 356}
(( segid " B" and resid 4 and name HB1 ))
(( segid " B" and resid 4 and name HD2 ))
3.411 0.682 0.682 peak 356 weight 1.00000E+00 volume 9.09808E+04 ppm1 0.916 ppm2 1.728
ASSI { 356}
(( segid " A" and resid 4 and name HB1 ))
(( segid " A" and resid 4 and name HD2 ))
3.411 0.682 0.682 peak 356 weight 1.00000E+00 volume 9.09808E+04 ppm1 0.916 ppm2 1.728
ASSI { 357}
(( segid " B" and resid 4 and name HD2 ))
(( segid " B" and resid 4 and name HE1 ))
4.028 0.806 0.806 peak 357 weight 1.00000E+00 volume 4.14606E+04 ppm1 0.918 ppm2 3.319
ASSI { 357}
(( segid " A" and resid 4 and name HD2 ))
(( segid " A" and resid 4 and name HE1 ))
4.028 0.806 0.806 peak 357 weight 1.00000E+00 volume 4.14606E+04 ppm1 0.918 ppm2 3.319
ASSI { 359}
(( segid " B" and resid 6 and name HA ))
(( segid " B" and resid 6 and name HB1 ))
3.449 0.690 0.690 peak 359 weight 1.00000E+00 volume 1.01697E+05 ppm1 4.136 ppm2 1.984
ASSI { 359}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB1 ))
3.449 0.690 0.690 peak 359 weight 1.00000E+00 volume 1.01697E+05 ppm1 4.136 ppm2 1.984
! ASSI { 360}
! (( segid " B" and resid 6 and name HA ))
! (( segid " B" and resid 30 and name HB2 ))
! 4.440 0.888 0.888 peak 360 weight 1.00000E+00 volume 4.44649E+04 ppm1 1.997 ppm2 4.153
ASSI { 362}
(( segid " A" and resid 6 and name HA ))
( segid " A" and resid 6 and name HD2#)
3.886 0.777 0.777 peak 362 weight 1.00000E+00 volume 1.18252E+05 ppm1 0.878 ppm2 4.163
ASSI { 362}
(( segid " B" and resid 6 and name HA ))
( segid " B" and resid 6 and name HD2#)
3.886 0.777 0.777 peak 362 weight 1.00000E+00 volume 1.18252E+05 ppm1 0.878 ppm2 4.163
ASSI { 364}
(( segid " A" and resid 7 and name HB2 ))
(( segid " A" and resid 7 and name HG2 ))
3.457 0.691 0.691 peak 364 weight 1.00000E+00 volume 1.15446E+05 ppm1 2.096 ppm2 2.491
ASSI { 364}
(( segid " B" and resid 7 and name HB2 ))
(( segid " B" and resid 7 and name HG2 ))
3.457 0.691 0.691 peak 364 weight 1.00000E+00 volume 1.15446E+05 ppm1 2.096 ppm2 2.491
ASSI { 367}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 10 and name HA ))
3.963 0.793 0.793 peak 367 weight 1.00000E+00 volume 6.90013E+04 ppm1 3.391 ppm2 4.189
ASSI { 367}
(( segid " B" and resid 9 and name HA ))
(( segid " B" and resid 10 and name HA ))
3.963 0.793 0.793 peak 367 weight 1.00000E+00 volume 6.90013E+04 ppm1 3.391 ppm2 4.189
ASSI { 368}
(( segid " B" and resid 7 and name HA ))
(( segid " B" and resid 10 and name HA ))
3.761 0.752 0.752 peak 368 weight 1.00000E+00 volume 1.03198E+05 ppm1 3.388 ppm2 3.911
ASSI { 368}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 10 and name HA ))
3.761 0.752 0.752 peak 368 weight 1.00000E+00 volume 1.03198E+05 ppm1 3.388 ppm2 3.911
ASSI { 372}
(( segid " B" and resid 10 and name HA ))
( segid " B" and resid 10 and name HG1#)
3.756 0.751 0.751 peak 372 weight 1.00000E+00 volume 7.06992E+04 ppm1 1.046 ppm2 3.402
ASSI { 372}
(( segid " A" and resid 10 and name HA ))
( segid " A" and resid 10 and name HG1#)
3.756 0.751 0.751 peak 372 weight 1.00000E+00 volume 7.06992E+04 ppm1 1.046 ppm2 3.402
ASSI { 374}
( segid " A" and resid 10 and name HG1#)
(( segid " A" and resid 8 and name HA ))
4.129 0.826 0.826 peak 374 weight 1.00000E+00 volume 7.35579E+04 ppm1 1.044 ppm2 4.343
ASSI { 374}
( segid " B" and resid 10 and name HG1#)
(( segid " B" and resid 8 and name HA ))
4.129 0.826 0.826 peak 374 weight 1.00000E+00 volume 7.35579E+04 ppm1 1.044 ppm2 4.343
ASSI { 375}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 11 and name HG2 ))
4.614 0.923 0.923 peak 375 weight 1.00000E+00 volume 4.23601E+04 ppm1 4.012 ppm2 2.442
ASSI { 375}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HG2 ))
4.614 0.923 0.923 peak 375 weight 1.00000E+00 volume 4.23601E+04 ppm1 4.012 ppm2 2.442
ASSI { 376}
(( segid " B" and resid 11 and name HB2 ))
(( segid " B" and resid 11 and name HG2 ))
3.066 0.613 0.613 peak 376 weight 1.00000E+00 volume 2.24896E+05 ppm1 2.191 ppm2 2.458
ASSI { 376}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 11 and name HG2 ))
3.066 0.613 0.613 peak 376 weight 1.00000E+00 volume 2.24896E+05 ppm1 2.191 ppm2 2.458
ASSI { 377}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 11 and name HA ))
3.731 0.746 0.746 peak 377 weight 1.00000E+00 volume 1.09527E+05 ppm1 2.187 ppm2 4.013
ASSI { 377}
(( segid " B" and resid 11 and name HB2 ))
(( segid " B" and resid 11 and name HA ))
3.731 0.746 0.746 peak 377 weight 1.00000E+00 volume 1.09527E+05 ppm1 2.187 ppm2 4.013
ASSI { 378}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 8 and name HA ))
3.902 0.780 0.780 peak 378 weight 1.00000E+00 volume 4.87588E+04 ppm1 2.080 ppm2 4.344
ASSI { 378}
(( segid " B" and resid 12 and name HB2 ))
(( segid " B" and resid 8 and name HA ))
3.902 0.780 0.780 peak 378 weight 1.00000E+00 volume 4.87588E+04 ppm1 2.080 ppm2 4.344
ASSI { 379}
(( segid " B" and resid 12 and name HB1 ))
(( segid " B" and resid 8 and name HA ))
3.810 0.762 0.762 peak 379 weight 1.00000E+00 volume 6.23342E+04 ppm1 2.184 ppm2 4.363
ASSI { 379}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 8 and name HA ))
3.810 0.762 0.762 peak 379 weight 1.00000E+00 volume 6.23342E+04 ppm1 2.184 ppm2 4.363
ASSI { 380}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 13 and name HG ))
3.319 0.664 0.664 peak 380 weight 1.00000E+00 volume 1.83065E+05 ppm1 3.993 ppm2 1.908
ASSI { 380}
(( segid " B" and resid 13 and name HA ))
(( segid " B" and resid 13 and name HG ))
3.319 0.664 0.664 peak 380 weight 1.00000E+00 volume 1.83065E+05 ppm1 3.993 ppm2 1.908
! ASSI { 383}
! (( segid " B" and resid 13 and name HB2 ))
! (( segid " B" and resid 12 and name HG1 ))
! 4.384 0.877 0.877 peak 383 weight 1.00000E+00 volume 4.12411E+04 ppm1 1.269 ppm2 2.373
ASSI { 385}
(( segid " A" and resid 13 and name HB2 ))
( segid " A" and resid 10 and name HG2#)
3.467 0.693 0.693 peak 385 weight 1.00000E+00 volume 2.01615E+05 ppm1 0.912 ppm2 1.250
ASSI { 385}
(( segid " B" and resid 13 and name HB2 ))
( segid " B" and resid 10 and name HG2#)
3.467 0.693 0.693 peak 385 weight 1.00000E+00 volume 2.01615E+05 ppm1 0.912 ppm2 1.250
ASSI { 387}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 14 and name HG ))
3.434 0.687 0.687 peak 387 weight 1.00000E+00 volume 1.12331E+05 ppm1 4.041 ppm2 1.764
ASSI { 387}
(( segid " B" and resid 14 and name HA ))
(( segid " B" and resid 14 and name HG ))
3.434 0.687 0.687 peak 387 weight 1.00000E+00 volume 1.12331E+05 ppm1 4.041 ppm2 1.764
ASSI { 388}
(( segid " B" and resid 14 and name HB1 ))
( segid " B" and resid 14 and name HD1#)
3.413 0.683 0.683 peak 388 weight 1.00000E+00 volume 1.71328E+05 ppm1 0.803 ppm2 1.875
ASSI { 388}
(( segid " A" and resid 14 and name HB1 ))
( segid " A" and resid 14 and name HD1#)
3.413 0.683 0.683 peak 388 weight 1.00000E+00 volume 1.71328E+05 ppm1 0.803 ppm2 1.875
ASSI { 389}
(( segid " B" and resid 14 and name HA ))
( segid " B" and resid 14 and name HD1#)
3.680 0.736 0.736 peak 389 weight 1.00000E+00 volume 8.68122E+04 ppm1 0.803 ppm2 4.065
ASSI { 389}
(( segid " A" and resid 14 and name HA ))
( segid " A" and resid 14 and name HD1#)
3.680 0.736 0.736 peak 389 weight 1.00000E+00 volume 8.68122E+04 ppm1 0.803 ppm2 4.065
ASSI { 390}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 16 and name HD2 ))
4.874 0.975 0.975 peak 390 weight 1.00000E+00 volume 5.51082E+04 ppm1 4.002 ppm2 0.788
ASSI { 390}
(( segid " B" and resid 15 and name HB1 ))
(( segid " B" and resid 16 and name HD2 ))
4.874 0.975 0.975 peak 390 weight 1.00000E+00 volume 5.51082E+04 ppm1 4.002 ppm2 0.788
ASSI { 392}
(( segid " B" and resid 20 and name HG ))
(( segid " B" and resid 16 and name HA ))
4.642 0.928 0.928 peak 392 weight 1.00000E+00 volume 7.84576E+04 ppm1 4.185 ppm2 2.065
ASSI { 392}
(( segid " A" and resid 20 and name HG ))
(( segid " A" and resid 16 and name HA ))
4.642 0.928 0.928 peak 392 weight 1.00000E+00 volume 7.84576E+04 ppm1 4.185 ppm2 2.065
ASSI { 395}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HG1 ))
3.950 0.790 0.790 peak 395 weight 1.00000E+00 volume 5.43064E+04 ppm1 1.406 ppm2 1.945
ASSI { 395}
(( segid " B" and resid 16 and name HB2 ))
(( segid " B" and resid 16 and name HG1 ))
3.950 0.790 0.790 peak 395 weight 1.00000E+00 volume 5.43064E+04 ppm1 1.406 ppm2 1.945
ASSI { 396}
(( segid " A" and resid 16 and name HG1 ))
(( segid " A" and resid 16 and name HE2 ))
4.327 0.865 0.865 peak 396 weight 1.00000E+00 volume 5.09254E+04 ppm1 1.642 ppm2 3.339
ASSI { 396}
(( segid " B" and resid 16 and name HG1 ))
(( segid " B" and resid 16 and name HE2 ))
4.327 0.865 0.865 peak 396 weight 1.00000E+00 volume 5.09254E+04 ppm1 1.642 ppm2 3.339
ASSI { 397}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HG1 ))
4.334 0.867 0.867 peak 397 weight 1.00000E+00 volume 4.93233E+04 ppm1 1.663 ppm2 4.167
ASSI { 397}
(( segid " B" and resid 16 and name HA ))
(( segid " B" and resid 16 and name HG1 ))
4.334 0.867 0.867 peak 397 weight 1.00000E+00 volume 4.93233E+04 ppm1 1.663 ppm2 4.167
ASSI { 398}
(( segid " B" and resid 16 and name HB1 ))
(( segid " B" and resid 16 and name HG1 ))
3.298 0.660 0.660 peak 398 weight 1.00000E+00 volume 2.87267E+04 ppm1 1.646 ppm2 1.716
ASSI { 398}
(( segid " A" and resid 16 and name HB1 ))
(( segid " A" and resid 16 and name HG1 ))
3.298 0.660 0.660 peak 398 weight 1.00000E+00 volume 2.87267E+04 ppm1 1.646 ppm2 1.716
ASSI { 404}
(( segid " A" and resid 16 and name HE1 ))
(( segid " A" and resid 17 and name HD21))
4.458 0.892 0.892 peak 404 weight 1.00000E+00 volume 6.58721E+04 ppm1 2.984 ppm2 6.522
ASSI { 404}
(( segid " B" and resid 16 and name HE1 ))
(( segid " B" and resid 17 and name HD21))
4.458 0.892 0.892 peak 404 weight 1.00000E+00 volume 6.58721E+04 ppm1 2.984 ppm2 6.522
ASSI { 405}
(( segid " B" and resid 17 and name HA ))
(( segid " B" and resid 21 and name HN ))
4.267 0.853 0.853 peak 405 weight 1.00000E+00 volume 6.86230E+04 ppm1 4.365 ppm2 8.889
ASSI { 405}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 21 and name HN ))
4.267 0.853 0.853 peak 405 weight 1.00000E+00 volume 6.86230E+04 ppm1 4.365 ppm2 8.889
ASSI { 406}
(( segid " B" and resid 17 and name HB2 ))
(( segid " A" and resid 17 and name HB1 ))
4.574 0.915 0.915 peak 406 weight 1.00000E+00 volume 9.32485E+04 ppm1 3.256 ppm2 2.709
ASSI { 406}
(( segid " A" and resid 17 and name HB2 ))
(( segid " B" and resid 17 and name HB1 ))
4.574 0.915 0.915 peak 406 weight 1.00000E+00 volume 9.32485E+04 ppm1 3.256 ppm2 2.709
ASSI { 407}
(( segid " B" and resid 18 and name HA ))
(( segid " B" and resid 18 and name HB1 ))
4.267 0.853 0.853 peak 407 weight 1.00000E+00 volume 3.83520E+04 ppm1 3.265 ppm2 4.385
ASSI { 407}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 18 and name HB1 ))
4.267 0.853 0.853 peak 407 weight 1.00000E+00 volume 3.83520E+04 ppm1 3.265 ppm2 4.385
ASSI { 408}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 19 and name HA ))
4.495 0.899 0.899 peak 408 weight 1.00000E+00 volume 5.43684E+04 ppm1 4.355 ppm2 2.796
ASSI { 408}
(( segid " B" and resid 22 and name HB1 ))
(( segid " B" and resid 19 and name HA ))
4.495 0.899 0.899 peak 408 weight 1.00000E+00 volume 5.43684E+04 ppm1 4.355 ppm2 2.796
ASSI { 410}
(( segid " A" and resid 20 and name HB2 ))
( segid " A" and resid 20 and name HD2#)
4.026 0.805 0.805 peak 410 weight 1.00000E+00 volume 8.21877E+04 ppm1 1.953 ppm2 0.795
ASSI { 410}
(( segid " B" and resid 20 and name HB2 ))
( segid " B" and resid 20 and name HD2#)
4.026 0.805 0.805 peak 410 weight 1.00000E+00 volume 8.21877E+04 ppm1 1.953 ppm2 0.795
ASSI { 411}
(( segid " B" and resid 20 and name HA ))
( segid " B" and resid 20 and name HD2#)
3.698 0.740 0.740 peak 411 weight 1.00000E+00 volume 5.55726E+04 ppm1 0.799 ppm2 4.059
ASSI { 411}
(( segid " A" and resid 20 and name HA ))
( segid " A" and resid 20 and name HD2#)
3.698 0.740 0.740 peak 411 weight 1.00000E+00 volume 5.55726E+04 ppm1 0.799 ppm2 4.059
ASSI { 413}
(( segid " A" and resid 20 and name HB2 ))
( segid " A" and resid 20 and name HD2#)
3.612 0.722 0.722 peak 413 weight 1.00000E+00 volume 4.37347E+04 ppm1 0.801 ppm2 1.985
ASSI { 413}
(( segid " B" and resid 20 and name HB2 ))
( segid " B" and resid 20 and name HD2#)
3.612 0.722 0.722 peak 413 weight 1.00000E+00 volume 4.37347E+04 ppm1 0.801 ppm2 1.985
ASSI { 414}
(( segid " A" and resid 21 and name HG1 ))
(( segid " A" and resid 21 and name HB1 ))
3.286 0.657 0.657 peak 414 weight 1.00000E+00 volume 1.70737E+05 ppm1 2.095 ppm2 2.456
ASSI { 414}
(( segid " B" and resid 21 and name HG1 ))
(( segid " B" and resid 21 and name HB1 ))
3.286 0.657 0.657 peak 414 weight 1.00000E+00 volume 1.70737E+05 ppm1 2.095 ppm2 2.456
! ASSI { 416}
! (( segid " A" and resid 22 and name HA ))
! (( segid " A" and resid 22 and name HN ))
! 4.314 0.863 0.863 peak 416 weight 1.00000E+00 volume 3.01535E+04 ppm1 4.431 ppm2 7.769
ASSI { 419}
(( segid " A" and resid 23 and name HG2 ))
(( segid " A" and resid 23 and name HB1 ))
3.934 0.787 0.787 peak 419 weight 1.00000E+00 volume 3.55280E+04 ppm1 2.205 ppm2 2.703
ASSI { 419}
(( segid " B" and resid 23 and name HG2 ))
(( segid " B" and resid 23 and name HB1 ))
3.934 0.787 0.787 peak 419 weight 1.00000E+00 volume 3.55280E+04 ppm1 2.205 ppm2 2.703
ASSI { 420}
(( segid " A" and resid 24 and name HA ))
( segid " A" and resid 24 and name HG2#)
3.480 0.696 0.696 peak 420 weight 1.00000E+00 volume 1.64312E+05 ppm1 0.874 ppm2 3.344
ASSI { 420}
(( segid " B" and resid 24 and name HA ))
( segid " B" and resid 24 and name HG2#)
3.480 0.696 0.696 peak 420 weight 1.00000E+00 volume 1.64312E+05 ppm1 0.874 ppm2 3.344
ASSI { 421}
(( segid " A" and resid 24 and name HB ))
( segid " A" and resid 24 and name HG2#)
3.167 0.633 0.633 peak 421 weight 1.00000E+00 volume 1.79892E+05 ppm1 0.878 ppm2 2.019
ASSI { 421}
(( segid " B" and resid 24 and name HB ))
( segid " B" and resid 24 and name HG2#)
3.167 0.633 0.633 peak 421 weight 1.00000E+00 volume 1.79892E+05 ppm1 0.878 ppm2 2.019
ASSI { 428}
(( segid " B" and resid 27 and name HB2 ))
( segid " B" and resid 27 and name HD1#)
3.643 0.729 0.729 peak 428 weight 1.00000E+00 volume 1.04940E+05 ppm1 0.803 ppm2 1.238
ASSI { 428}
(( segid " A" and resid 27 and name HB2 ))
( segid " A" and resid 27 and name HD1#)
3.643 0.729 0.729 peak 428 weight 1.00000E+00 volume 1.04940E+05 ppm1 0.803 ppm2 1.238
ASSI { 430}
(( segid " B" and resid 27 and name HA ))
( segid " B" and resid 27 and name HD1#)
3.636 0.727 0.727 peak 430 weight 1.00000E+00 volume 1.65656E+05 ppm1 0.805 ppm2 3.983
ASSI { 430}
(( segid " A" and resid 27 and name HA ))
( segid " A" and resid 27 and name HD1#)
3.636 0.727 0.727 peak 430 weight 1.00000E+00 volume 1.65656E+05 ppm1 0.805 ppm2 3.983
ASSI { 432}
(( segid " A" and resid 28 and name HB2 ))
(( segid " A" and resid 29 and name HD1 ))
4.124 0.825 0.825 peak 432 weight 1.00000E+00 volume 3.58245E+04 ppm1 1.898 ppm2 0.802
ASSI { 433}
(( segid " A" and resid 29 and name HG2 ))
(( segid " A" and resid 29 and name HD2 ))
3.687 0.737 0.737 peak 433 weight 1.00000E+00 volume 6.87478E+04 ppm1 0.925 ppm2 1.437
ASSI { 433}
(( segid " B" and resid 29 and name HG2 ))
(( segid " B" and resid 29 and name HD2 ))
3.687 0.737 0.737 peak 433 weight 1.00000E+00 volume 6.87478E+04 ppm1 0.925 ppm2 1.437
ASSI { 434}
(( segid " B" and resid 29 and name HB2 ))
(( segid " B" and resid 29 and name HD2 ))
3.178 0.636 0.636 peak 434 weight 1.00000E+00 volume 1.15135E+05 ppm1 0.921 ppm2 1.703
ASSI { 434}
(( segid " A" and resid 29 and name HB2 ))
(( segid " A" and resid 29 and name HD2 ))
3.178 0.636 0.636 peak 434 weight 1.00000E+00 volume 1.15135E+05 ppm1 0.921 ppm2 1.703
ASSI { 435}
(( segid " B" and resid 29 and name HA ))
(( segid " B" and resid 29 and name HD2 ))
3.958 0.792 0.792 peak 435 weight 1.00000E+00 volume 5.88072E+04 ppm1 0.925 ppm2 4.167
ASSI { 435}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 29 and name HD2 ))
3.958 0.792 0.792 peak 435 weight 1.00000E+00 volume 5.88072E+04 ppm1 0.925 ppm2 4.167
ASSI { 436}
(( segid " A" and resid 29 and name HG1 ))
(( segid " A" and resid 29 and name HE1 ))
3.990 0.798 0.798 peak 436 weight 1.00000E+00 volume 6.65392E+04 ppm1 2.866 ppm2 1.607
ASSI { 436}
(( segid " B" and resid 29 and name HG1 ))
(( segid " B" and resid 29 and name HE1 ))
3.990 0.798 0.798 peak 436 weight 1.00000E+00 volume 6.65392E+04 ppm1 2.866 ppm2 1.607
ASSI { 437}
(( segid " B" and resid 29 and name HA ))
(( segid " B" and resid 29 and name HE1 ))
4.036 0.807 0.807 peak 437 weight 1.00000E+00 volume 6.06631E+04 ppm1 2.847 ppm2 4.166
ASSI { 437}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 29 and name HE1 ))
4.036 0.807 0.807 peak 437 weight 1.00000E+00 volume 6.06631E+04 ppm1 2.847 ppm2 4.166
ASSI { 439}
( segid " B" and resid 30 and name HD1#)
(( segid " B" and resid 30 and name HB2 ))
3.069 0.614 0.614 peak 439 weight 1.00000E+00 volume 2.58592E+05 ppm1 0.896 ppm2 1.619
ASSI { 439}
( segid " A" and resid 30 and name HD1#)
(( segid " A" and resid 30 and name HB2 ))
3.069 0.614 0.614 peak 439 weight 1.00000E+00 volume 2.58592E+05 ppm1 0.896 ppm2 1.619
ASSI { 440}
( segid " B" and resid 30 and name HD1#)
(( segid " B" and resid 29 and name HG1 ))
3.249 0.650 0.650 peak 440 weight 1.00000E+00 volume 1.96698E+05 ppm1 0.898 ppm2 1.427
ASSI { 440}
( segid " A" and resid 30 and name HD1#)
(( segid " A" and resid 29 and name HG1 ))
3.249 0.650 0.650 peak 440 weight 1.00000E+00 volume 1.96698E+05 ppm1 0.898 ppm2 1.427
ASSI { 441}
(( segid " A" and resid 30 and name HA ))
( segid " A" and resid 30 and name HD1#)
3.220 0.644 0.644 peak 441 weight 1.00000E+00 volume 2.12958E+05 ppm1 0.890 ppm2 4.166
ASSI { 441}
(( segid " B" and resid 30 and name HA ))
( segid " B" and resid 30 and name HD1#)
3.220 0.644 0.644 peak 441 weight 1.00000E+00 volume 2.12958E+05 ppm1 0.890 ppm2 4.166
ASSI { 442}
( segid " A" and resid 31 and name HG2#)
(( segid " A" and resid 30 and name HB1 ))
3.659 0.732 0.732 peak 442 weight 1.00000E+00 volume 5.84453E+04 ppm1 0.917 ppm2 1.972
ASSI { 442}
( segid " B" and resid 31 and name HG2#)
(( segid " B" and resid 30 and name HB1 ))
3.659 0.732 0.732 peak 442 weight 1.00000E+00 volume 5.84453E+04 ppm1 0.917 ppm2 1.972
ASSI { 446}
(( segid " B" and resid 33 and name HA ))
(( segid " B" and resid 33 and name HB2 ))
4.149 0.830 0.830 peak 446 weight 1.00000E+00 volume 5.10595E+04 ppm1 4.236 ppm2 2.254
ASSI { 446}
(( segid " A" and resid 33 and name HA ))
(( segid " A" and resid 33 and name HB2 ))
4.149 0.830 0.830 peak 446 weight 1.00000E+00 volume 5.10595E+04 ppm1 4.236 ppm2 2.254
! ASSI { 447}
! (( segid " A" and resid 33 and name HA ))
! (( segid " A" and resid 33 and name HN ))
! 4.741 0.948 0.948 peak 447 weight 1.00000E+00 volume 3.74347E+04 ppm1 4.214 ppm2 7.907
ASSI { 372}
( segid " A" and resid 16 and name HD1)
(( segid " A" and resid 17 and name HD22))
2.781 0.556 0.556 peak 372 weight 1.00000E+00 volume 1.10100E+06 ppm1 7.670 ppm2 0.866
ASSI { 372}
( segid " B" and resid 16 and name HD1)
(( segid " B" and resid 17 and name HD22))
2.781 0.556 0.556 peak 372 weight 1.00000E+00 volume 1.10100E+06 ppm1 7.670 ppm2 0.866
ASSI { 381}
(( segid " B" and resid 16 and name HD2 ))
(( segid " B" and resid 17 and name HD21))
3.790 0.758 0.758 peak 381 weight 1.00000E+00 volume 4.82474E+04 ppm1 6.512 ppm2 0.853
ASSI { 381}
(( segid " A" and resid 16 and name HD2 ))
(( segid " A" and resid 17 and name HD21))
3.790 0.758 0.758 peak 381 weight 1.00000E+00 volume 4.82474E+04 ppm1 6.512 ppm2 0.853
ASSI { 383}
(( segid " B" and resid 17 and name HB2 ))
(( segid " B" and resid 17 and name HD22))
3.948 0.790 0.790 peak 383 weight 1.00000E+00 volume 1.75289E+04 ppm1 7.629 ppm2 3.233
ASSI { 383}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 17 and name HD22))
3.948 0.790 0.790 peak 383 weight 1.00000E+00 volume 1.75289E+04 ppm1 7.629 ppm2 3.233
ASSI { 384}
(( segid " A" and resid 16 and name HD2 ))
(( segid " A" and resid 17 and name HD22))
3.600 0.720 0.720 peak 384 weight 1.00000E+00 volume 9.09975E+04 ppm1 7.628 ppm2 0.824
ASSI { 384}
(( segid " B" and resid 16 and name HD2 ))
(( segid " B" and resid 17 and name HD22))
3.600 0.720 0.720 peak 384 weight 1.00000E+00 volume 9.09975E+04 ppm1 7.628 ppm2 0.824
!end new
set message=off echo=off end
end
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