NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
613897 |
5iew   |
30027 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 2: 66_noe.tbl
ASSI { 2}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 21 and name HB1 ))
3.535 0.707 0.707 peak 2 weight 1.00000E+00 volume 2.23197E+06 ppm1 4.018 ppm2 1.449
ASSI { 2}
(( segid " B" and resid 18 and name HA ))
(( segid " B" and resid 21 and name HB1 ))
3.535 0.707 0.707 peak 2 weight 1.00000E+00 volume 2.23197E+06 ppm1 4.018 ppm2 1.449
!15 HB2, 14HB2
ASSI { 6}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 10 and name HB ))
4.107 0.821 0.821 peak 6 weight 1.00000E+00 volume 9.06878E+05 ppm1 4.177 ppm2 2.193
ASSI { 6}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 10 and name HB ))
4.107 0.821 0.821 peak 6 weight 1.00000E+00 volume 9.06878E+05 ppm1 4.177 ppm2 2.193
ASSI { 7}
(( segid " A" and resid 6 and name HA ))
( segid " A" and resid 6 and name HD21)
3.645 0.729 0.729 peak 7 weight 1.00000E+00 volume 1.85561E+06 ppm1 4.176 ppm2 0.874
ASSI { 7}
(( segid " B" and resid 6 and name HA ))
( segid " B" and resid 6 and name HD21)
3.645 0.729 0.729 peak 7 weight 1.00000E+00 volume 1.85561E+06 ppm1 4.176 ppm2 0.874
!10HG1#
ASSI { 10}
(( segid " A" and resid 10 and name HB ))
( segid " A" and resid 10 and name HG22)
3.474 0.695 0.695 peak 10 weight 1.00000E+00 volume 2.47640E+06 ppm1 0.985 ppm2 2.148
ASSI { 10}
(( segid " B" and resid 10 and name HB ))
( segid " B" and resid 10 and name HG22)
3.474 0.695 0.695 peak 10 weight 1.00000E+00 volume 2.47640E+06 ppm1 0.985 ppm2 2.148
!11HG1
ASSI { 11}
(( segid " B" and resid 6 and name HA ))
( segid " A" and resid 10 and name HG2#)
3.915 0.783 0.783 peak 11 weight 1.00000E+00 volume 1.20827E+06 ppm1 0.989 ppm2 4.159
ASSI { 11}
(( segid " A" and resid 6 and name HA ))
( segid " B" and resid 10 and name HG2#)
3.915 0.783 0.783 peak 11 weight 1.00000E+00 volume 1.20827E+06 ppm1 0.989 ppm2 4.159
!11HA
ASSI { 13}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 11 and name HB2 ))
4.360 0.872 0.872 peak 13 weight 1.00000E+00 volume 6.33735E+05 ppm1 4.196 ppm2 2.064
ASSI { 13}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 11 and name HB2 ))
4.360 0.872 0.872 peak 13 weight 1.00000E+00 volume 6.33735E+05 ppm1 4.196 ppm2 2.064
!11HA
ASSI { 14}
(( segid " B" and resid 9 and name HA ))
( segid " B" and resid 9 and name HG2#)
3.815 0.763 0.763 peak 14 weight 1.00000E+00 volume 1.41323E+06 ppm1 4.201 ppm2 0.860
ASSI { 14}
(( segid " A" and resid 9 and name HA ))
( segid " A" and resid 9 and name HG2#)
3.815 0.763 0.763 peak 14 weight 1.00000E+00 volume 1.41323E+06 ppm1 4.201 ppm2 0.860
!10HG1#
ASSI { 15}
(( segid " B" and resid 3 and name HA ))
(( segid " B" and resid 6 and name HB1 ))
4.221 0.844 0.844 peak 15 weight 1.00000E+00 volume 7.70245E+05 ppm1 4.201 ppm2 1.577
ASSI { 15}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 6 and name HB1 ))
4.221 0.844 0.844 peak 15 weight 1.00000E+00 volume 7.70245E+05 ppm1 4.201 ppm2 1.577
!16HA, 16HG1
ASSI { 16}
(( segid " B" and resid 30 and name HB1 ))
( segid " B" and resid 30 and name HD11)
3.979 0.796 0.796 peak 16 weight 1.00000E+00 volume 1.09730E+06 ppm1 1.608 ppm2 0.875
ASSI { 16}
(( segid " A" and resid 30 and name HB1 ))
( segid " A" and resid 30 and name HD11)
3.979 0.796 0.796 peak 16 weight 1.00000E+00 volume 1.09730E+06 ppm1 1.608 ppm2 0.875
!10HG1#
! ASSI { 17}
! (( segid " A" and resid 9 and name HB1 ))
! (( segid " A" and resid 11 and name HB2 ))
! 3.975 0.795 0.795 peak 17 weight 1.00000E+00 volume 1.10311E+06 ppm1 1.608 ppm2 2.084
ASSI { 19}
(( segid " A" and resid 30 and name HA ))
( segid " A" and resid 30 and name HD11)
3.888 0.778 0.778 peak 19 weight 1.00000E+00 volume 1.26071E+06 ppm1 0.923 ppm2 4.189
ASSI { 19}
(( segid " B" and resid 30 and name HA ))
( segid " B" and resid 30 and name HD11)
3.888 0.778 0.778 peak 19 weight 1.00000E+00 volume 1.26071E+06 ppm1 0.923 ppm2 4.189
!11HA
ASSI { 21}
( segid " A" and resid 31 and name HG21)
(( segid " B" and resid 30 and name HG ))
4.996 0.999 0.999 peak 21 weight 1.00000E+00 volume 2.79910E+05 ppm1 2.094 ppm2 0.945
ASSI { 21}
( segid " B" and resid 31 and name HG21)
(( segid " A" and resid 30 and name HG ))
4.996 0.999 0.999 peak 21 weight 1.00000E+00 volume 2.79910E+05 ppm1 2.094 ppm2 0.945
!14HD1#
ASSI { 23}
(( segid " A" and resid 30 and name HB2 ))
( segid " A" and resid 30 and name HD21)
4.085 0.817 0.817 peak 23 weight 1.00000E+00 volume 9.36461E+05 ppm1 0.922 ppm2 2.027
ASSI { 23}
(( segid " B" and resid 30 and name HB2 ))
( segid " B" and resid 30 and name HD21)
4.085 0.817 0.817 peak 23 weight 1.00000E+00 volume 9.36461E+05 ppm1 0.922 ppm2 2.027
!11HB1
ASSI { 26}
(( segid " B" and resid 20 and name HA ))
(( segid " B" and resid 20 and name HB2 ))
3.595 0.719 0.719 peak 26 weight 1.00000E+00 volume 2.01537E+06 ppm1 3.949 ppm2 1.924
ASSI { 26}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 20 and name HB2 ))
3.595 0.719 0.719 peak 26 weight 1.00000E+00 volume 2.01537E+06 ppm1 3.949 ppm2 1.924
!16HB1
! ASSI { 27}
! (( segid " A" and resid 13 and name HA ))
! (( segid " B" and resid 13 and name HB1 ))
! 4.123 0.825 0.825 peak 27 weight 1.00000E+00 volume 8.86470E+05 ppm1 3.949 ppm2 1.284
ASSI { 28}
(( segid " A" and resid 20 and name HA ))
( segid " A" and resid 20 and name HD2#)
3.209 0.642 0.642 peak 28 weight 1.00000E+00 volume 3.98983E+06 ppm1 3.949 ppm2 0.831
ASSI { 28}
(( segid " B" and resid 20 and name HA ))
( segid " B" and resid 20 and name HD2#)
3.209 0.642 0.642 peak 28 weight 1.00000E+00 volume 3.98983E+06 ppm1 3.949 ppm2 0.831
!13HD2
ASSI { 29}
(( segid " A" and resid 14 and name HB1 ))
( segid " A" and resid 14 and name HD1#)
4.195 0.839 0.839 peak 29 weight 1.00000E+00 volume 7.98578E+05 ppm1 1.952 ppm2 0.831
ASSI { 29}
(( segid " B" and resid 14 and name HB1 ))
( segid " B" and resid 14 and name HD1#)
4.195 0.839 0.839 peak 29 weight 1.00000E+00 volume 7.98578E+05 ppm1 1.952 ppm2 0.831
!13HD1#
! ASSI { 30}
! (( segid " A" and resid 14 and name HB1 ))
! (( segid " B" and resid 13 and name HB1 ))
! 4.437 0.887 0.887 peak 30 weight 1.00000E+00 volume 5.70811E+05 ppm1 1.962 ppm2 1.290
ASSI { 32}
(( segid " A" and resid 16 and name HB1 ))
( segid " A" and resid 13 and name HD22)
4.183 0.837 0.837 peak 32 weight 1.00000E+00 volume 8.12453E+05 ppm1 0.818 ppm2 1.917
ASSI { 32}
(( segid " B" and resid 16 and name HB1 ))
( segid " B" and resid 13 and name HD22)
4.183 0.837 0.837 peak 32 weight 1.00000E+00 volume 8.12453E+05 ppm1 0.818 ppm2 1.917
!16HD1#
ASSI { 33}
(( segid " B" and resid 20 and name HA ))
( segid " B" and resid 20 and name HD1#)
3.976 0.795 0.795 peak 33 weight 1.00000E+00 volume 1.10210E+06 ppm1 0.813 ppm2 3.937
ASSI { 33}
(( segid " A" and resid 20 and name HA ))
( segid " A" and resid 20 and name HD1#)
3.976 0.795 0.795 peak 33 weight 1.00000E+00 volume 1.10210E+06 ppm1 0.813 ppm2 3.937
!16HD1#
ASSI { 34}
( segid " A" and resid 16 and name HD1#)
(( segid " A" and resid 12 and name HB1 ))
4.900 0.980 0.980 peak 34 weight 1.00000E+00 volume 3.14670E+05 ppm1 0.813 ppm2 1.329
ASSI { 34}
( segid " B" and resid 16 and name HD1#)
(( segid " B" and resid 12 and name HB1 ))
4.900 0.980 0.980 peak 34 weight 1.00000E+00 volume 3.14670E+05 ppm1 0.813 ppm2 1.329
!20HB1
! ASSI { 39}
! (( segid " B" and resid 26 and name HB2 ))
! (( segid " A" and resid 11 and name HB2 ))
! 3.858 0.772 0.772 peak 39 weight 1.00000E+00 volume 1.32125E+06 ppm1 1.868 ppm2 2.113
ASSI { 40}
(( segid " B" and resid 20 and name HG ))
(( segid " B" and resid 16 and name HE2 ))
5.301 1.060 1.060 peak 40 weight 1.00000E+00 volume 1.96093E+05 ppm1 1.873 ppm2 2.928
ASSI { 40}
(( segid " A" and resid 20 and name HG ))
(( segid " A" and resid 16 and name HE2 ))
5.301 1.060 1.060 peak 40 weight 1.00000E+00 volume 1.96093E+05 ppm1 1.873 ppm2 2.928
ASSI { 46}
(( segid " B" and resid 10 and name HA ))
( segid " B" and resid 10 and name HG1#)
3.282 0.656 0.656 peak 46 weight 1.00000E+00 volume 3.48077E+06 ppm1 3.388 ppm2 0.874
ASSI { 46}
(( segid " A" and resid 10 and name HA ))
( segid " A" and resid 10 and name HG1#)
3.282 0.656 0.656 peak 46 weight 1.00000E+00 volume 3.48077E+06 ppm1 3.388 ppm2 0.874
! ASSI { 49}
! (( segid " A" and resid 10 and name HA ))
! ( segid " B" and resid 10 and name HG2#)
! 3.566 0.713 0.713 peak 49 weight 1.00000E+00 volume 2.11807E+06 ppm1 1.042 ppm2 3.414
ASSI { 51}
( segid " B" and resid 9 and name HD2)
(( segid " B" and resid 12 and name HB2 ))
3.334 0.667 0.667 peak 51 weight 1.00000E+00 volume 3.17131E+06 ppm1 0.889 ppm2 2.071
ASSI { 51}
( segid " A" and resid 9 and name HD2)
(( segid " A" and resid 12 and name HB2 ))
3.334 0.667 0.667 peak 51 weight 1.00000E+00 volume 3.17131E+06 ppm1 0.889 ppm2 2.071
ASSI { 52}
(( segid " B" and resid 24 and name HA ))
( segid " B" and resid 24 and name HG1#)
3.674 0.735 0.735 peak 52 weight 1.00000E+00 volume 1.77063E+06 ppm1 0.894 ppm2 3.392
ASSI { 52}
(( segid " A" and resid 24 and name HA ))
( segid " A" and resid 24 and name HG1#)
3.674 0.735 0.735 peak 52 weight 1.00000E+00 volume 1.77063E+06 ppm1 0.894 ppm2 3.392
!10HA
ASSI { 53}
( segid " A" and resid 6 and name HD22)
( segid " B" and resid 10 and name HG21)
3.520 0.704 0.704 peak 53 weight 1.00000E+00 volume -2.28733E+06 ppm1 0.909 ppm2 1.103
ASSI { 53}
( segid " B" and resid 6 and name HD22)
( segid " A" and resid 10 and name HG21)
3.520 0.704 0.704 peak 53 weight 1.00000E+00 volume -2.28733E+06 ppm1 0.909 ppm2 1.103
!24HG1#
ASSI { 54}
(( segid " B" and resid 23 and name HA ))
(( segid " B" and resid 26 and name HG1 ))
3.702 0.740 0.740 peak 54 weight 1.00000E+00 volume 1.69199E+06 ppm1 4.456 ppm2 2.105
ASSI { 54}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 26 and name HG1 ))
3.702 0.740 0.740 peak 54 weight 1.00000E+00 volume 1.69199E+06 ppm1 4.456 ppm2 2.105
!11HB2
ASSI { 56}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 24 and name HB ))
5.397 1.079 1.079 peak 56 weight 1.00000E+00 volume 1.76089E+05 ppm1 2.079 ppm2 4.469
ASSI { 56}
(( segid " B" and resid 22 and name HA ))
(( segid " B" and resid 24 and name HB ))
5.397 1.079 1.079 peak 56 weight 1.00000E+00 volume 1.76089E+05 ppm1 2.079 ppm2 4.469
!23HB2
! ASSI { 57}
! (( segid " A" and resid 17 and name HA ))
! (( segid " B" and resid 17 and name HB2 ))
! 4.121 0.824 0.824 peak 57 weight 1.00000E+00 volume 8.88348E+05 ppm1 4.433 ppm2 2.740
!22HA
! ASSI { 58}
! (( segid " B" and resid 18 and name HB2 ))
! (( segid " B" and resid 15 and name HB1 ))
! 4.374 0.875 0.875 peak 58 weight 1.00000E+00 volume 6.21562E+05 ppm1 2.751 ppm2 4.397
ASSI { 61}
(( segid " B" and resid 11 and name HG1 ))
(( segid " B" and resid 10 and name HB ))
3.684 0.737 0.737 peak 61 weight 1.00000E+00 volume 1.74140E+06 ppm1 2.487 ppm2 2.193
ASSI { 61}
(( segid " A" and resid 11 and name HG1 ))
(( segid " A" and resid 10 and name HB ))
3.684 0.737 0.737 peak 61 weight 1.00000E+00 volume 1.74140E+06 ppm1 2.487 ppm2 2.193
ASSI { 64}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 20 and name HG ))
3.592 0.918 0.918 peak 64 weight 1.00000E+00 volume 2.02774E+06 ppm1 3.947 ppm2 2.096
ASSI { 64}
(( segid " B" and resid 20 and name HA ))
(( segid " B" and resid 20 and name HG ))
3.592 0.918 0.918 peak 64 weight 1.00000E+00 volume 2.02774E+06 ppm1 3.947 ppm2 2.096
!11HB2
ASSI { 65}
(( segid " B" and resid 13 and name HA ))
( segid " B" and resid 13 and name HD21)
3.312 0.662 0.662 peak 65 weight 1.00000E+00 volume 3.30132E+06 ppm1 3.949 ppm2 0.882
ASSI { 65}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 13 and name HD21)
3.312 0.662 0.662 peak 65 weight 1.00000E+00 volume 3.30132E+06 ppm1 3.949 ppm2 0.882
!10HG1#
ASSI { 66}
(( segid " B" and resid 24 and name HB ))
(( segid " A" and resid 20 and name HB1 ))
4.011 0.802 0.802 peak 66 weight 1.00000E+00 volume 1.04563E+06 ppm1 1.316 ppm2 2.095
ASSI { 66}
(( segid " A" and resid 24 and name HB ))
(( segid " B" and resid 20 and name HB1 ))
4.011 0.802 0.802 peak 66 weight 1.00000E+00 volume 1.04563E+06 ppm1 1.316 ppm2 2.095
!11HB2, inter
ASSI { 67}
( segid " B" and resid 20 and name HD1#)
(( segid " A" and resid 20 and name HB1 ))
3.777 0.755 0.755 peak 67 weight 1.00000E+00 volume 1.50058E+06 ppm1 1.316 ppm2 0.883
ASSI { 67}
( segid " A" and resid 20 and name HD1#)
(( segid " B" and resid 20 and name HB1 ))
3.777 0.755 0.755 peak 67 weight 1.00000E+00 volume 1.50058E+06 ppm1 1.316 ppm2 0.883
!10HG1#
ASSI { 68}
(( segid " B" and resid 20 and name HA ))
(( segid " A" and resid 20 and name HB1 ))
4.874 0.975 0.975 peak 68 weight 1.00000E+00 volume 3.24855E+05 ppm1 1.316 ppm2 3.967
ASSI { 68}
(( segid " A" and resid 20 and name HA ))
(( segid " B" and resid 20 and name HB1 ))
4.874 0.975 0.975 peak 68 weight 1.00000E+00 volume 3.24855E+05 ppm1 1.316 ppm2 3.967
! ASSI { 69}
! (( segid " A" and resid 19 and name HA ))
! (( segid " B" and resid 19 and name HB2 ))
! 4.057 0.811 0.811 peak 69 weight 1.00000E+00 volume 9.76036E+05 ppm1 4.346 ppm2 3.337
ASSI { 70}
(( segid " B" and resid 26 and name HD2 ))
(( segid " B" and resid 26 and name HA ))
4.285 0.857 0.857 peak 70 weight 1.00000E+00 volume 7.03201E+05 ppm1 3.332 ppm2 4.322
ASSI { 70}
(( segid " A" and resid 26 and name HD2 ))
(( segid " A" and resid 26 and name HA ))
4.285 0.857 0.857 peak 70 weight 1.00000E+00 volume 7.03201E+05 ppm1 3.332 ppm2 4.322
!19HB2, 15HB1
ASSI { 71}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 17 and name HB1 ))
3.753 0.751 0.751 peak 71 weight 1.00000E+00 volume 1.55800E+06 ppm1 4.361 ppm2 3.212
ASSI { 71}
(( segid " B" and resid 18 and name HA ))
(( segid " B" and resid 17 and name HB1 ))
3.753 0.751 0.751 peak 71 weight 1.00000E+00 volume 1.55800E+06 ppm1 4.361 ppm2 3.212
ASSI { 73}
(( segid " A" and resid 18 and name HB1 ))
(( segid " A" and resid 19 and name HA ))
4.225 0.845 0.845 peak 73 weight 1.00000E+00 volume 7.65805E+05 ppm1 3.183 ppm2 4.378
ASSI { 73}
(( segid " B" and resid 18 and name HB1 ))
(( segid " B" and resid 19 and name HA ))
4.225 0.845 0.845 peak 73 weight 1.00000E+00 volume 7.65805E+05 ppm1 3.183 ppm2 4.378
!15HB1
ASSI { 77}
(( segid " B" and resid 18 and name HB2 ))
(( segid " B" and resid 17 and name HB1 ))
4.423 0.885 0.885 peak 77 weight 1.00000E+00 volume 5.81161E+05 ppm1 3.269 ppm2 2.732
ASSI { 77}
(( segid " A" and resid 18 and name HB2 ))
(( segid " A" and resid 17 and name HB1 ))
4.423 0.885 0.885 peak 77 weight 1.00000E+00 volume 5.81161E+05 ppm1 3.269 ppm2 2.732
!17HB2
! ASSI { 78}
! (( segid " A" and resid 17 and name HB2 ))
! (( segid " A" and resid 16 and name HE1 ))
! 3.980 0.796 0.796 peak 78 weight 1.00000E+00 volume 1.09596E+06 ppm1 2.760 ppm2 3.260
ASSI { 79}
(( segid " B" and resid 17 and name HB1 ))
(( segid " B" and resid 18 and name HA ))
4.324 0.865 0.865 peak 79 weight 1.00000E+00 volume 6.66243E+05 ppm1 3.265 ppm2 4.380
ASSI { 79}
(( segid " A" and resid 17 and name HB1 ))
(( segid " A" and resid 18 and name HA ))
4.324 0.865 0.865 peak 79 weight 1.00000E+00 volume 6.66243E+05 ppm1 3.265 ppm2 4.380
!15HB1
ASSI { 80}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 13 and name HA ))
4.380 0.876 0.876 peak 80 weight 1.00000E+00 volume 6.16229E+05 ppm1 2.750 ppm2 4.375
ASSI { 80}
(( segid " B" and resid 17 and name HB2 ))
(( segid " B" and resid 13 and name HA ))
4.380 0.876 0.876 peak 80 weight 1.00000E+00 volume 6.16229E+05 ppm1 2.750 ppm2 4.375
!15HB1
ASSI { 81}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 13 and name HG ))
4.035 0.807 0.807 peak 81 weight 1.00000E+00 volume 1.00931E+06 ppm1 4.219 ppm2 1.848
ASSI { 81}
(( segid " B" and resid 9 and name HA ))
(( segid " B" and resid 13 and name HG ))
4.035 0.807 0.807 peak 81 weight 1.00000E+00 volume 1.00931E+06 ppm1 4.219 ppm2 1.848
!16HA
ASSI { 82}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 16 and name HB2 ))
4.573 0.915 0.915 peak 82 weight 1.00000E+00 volume 4.75863E+05 ppm1 4.219 ppm2 1.665
ASSI { 82}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 16 and name HB2 ))
4.573 0.915 0.915 peak 82 weight 1.00000E+00 volume 4.75863E+05 ppm1 4.219 ppm2 1.665
!16HA
! ASSI { 84}
! (( segid " A" and resid 11 and name HA ))
! (( segid " B" and resid 16 and name HB1 ))
! 4.091 0.818 0.818 peak 84 weight 1.00000E+00 volume 9.28458E+05 ppm1 1.869 ppm2 4.171
ASSI { 86}
(( segid " A" and resid 14 and name HG ))
(( segid " A" and resid 14 and name HB2 ))
3.663 0.733 0.733 peak 86 weight 1.00000E+00 volume 1.80344E+06 ppm1 1.855 ppm2 1.442
ASSI { 86}
(( segid " B" and resid 14 and name HG ))
(( segid " B" and resid 14 and name HB2 ))
3.663 0.733 0.733 peak 86 weight 1.00000E+00 volume 1.80344E+06 ppm1 1.855 ppm2 1.442
!16HB1
ASSI { 87}
(( segid " B" and resid 6 and name HA ))
( segid " B" and resid 6 and name HD21)
3.686 0.737 0.737 peak 87 weight 1.00000E+00 volume 1.73609E+06 ppm1 4.149 ppm2 0.860
ASSI { 87}
(( segid " A" and resid 6 and name HA ))
( segid " A" and resid 6 and name HD21)
3.686 0.737 0.737 peak 87 weight 1.00000E+00 volume 1.73609E+06 ppm1 4.149 ppm2 0.860
!10HG1#
ASSI { 88}
(( segid " A" and resid 10 and name HA ))
(( segid " B" and resid 13 and name HB2 ))
4.334 0.867 0.867 peak 88 weight 1.00000E+00 volume 6.57100E+05 ppm1 3.422 ppm2 2.122
ASSI { 88}
(( segid " B" and resid 10 and name HA ))
(( segid " A" and resid 13 and name HB2 ))
4.334 0.867 0.867 peak 88 weight 1.00000E+00 volume 6.57100E+05 ppm1 3.422 ppm2 2.122
!11HB2, switch
ASSI { 89}
( segid " B" and resid 6 and name HD11)
(( segid " B" and resid 6 and name HB1 ))
3.777 0.755 0.755 peak 89 weight 1.00000E+00 volume 1.50047E+06 ppm1 1.459 ppm2 0.866
ASSI { 89}
( segid " A" and resid 6 and name HD11)
(( segid " A" and resid 6 and name HB1 ))
3.777 0.755 0.755 peak 89 weight 1.00000E+00 volume 1.50047E+06 ppm1 1.459 ppm2 0.866
!10HG1#
ASSI { 92}
(( segid " B" and resid 14 and name HB2 ))
( segid " A" and resid 13 and name HD1#)
4.079 0.816 0.816 peak 92 weight 1.00000E+00 volume -9.45876E+05 ppm1 0.911 ppm2 1.452
ASSI { 92}
(( segid " A" and resid 14 and name HB2 ))
( segid " B" and resid 13 and name HD1#)
4.079 0.816 0.816 peak 92 weight 1.00000E+00 volume -9.45876E+05 ppm1 0.911 ppm2 1.452
!27HD1#
! ASSI { 93}
! (( segid " B" and resid 6 and name HA ))
! ( segid " A" and resid 10 and name HG21)
! 3.464 0.693 0.693 peak 93 weight 1.00000E+00 volume 2.51932E+06 ppm1 0.906 ppm2 4.183
!11HA
ASSI { 94}
(( segid " A" and resid 6 and name HA ))
( segid " A" and resid 6 and name HD21)
3.864 0.973 0.973 peak 94 weight 1.00000E+00 volume 1.30848E+06 ppm1 0.925 ppm2 4.191
ASSI { 94}
(( segid " B" and resid 6 and name HA ))
( segid " B" and resid 6 and name HD21)
3.864 0.973 0.973 peak 94 weight 1.00000E+00 volume 1.30848E+06 ppm1 0.925 ppm2 4.191
ASSI { 95}
(( segid " B" and resid 6 and name HB2 ))
( segid " B" and resid 6 and name HD2#)
4.240 0.848 0.848 peak 95 weight 1.00000E+00 volume -7.49609E+05 ppm1 0.920 ppm2 1.459
ASSI { 95}
(( segid " A" and resid 6 and name HB2 ))
( segid " A" and resid 6 and name HD2#)
4.240 0.848 0.848 peak 95 weight 1.00000E+00 volume -7.49609E+05 ppm1 0.920 ppm2 1.459
ASSI { 96}
(( segid " B" and resid 11 and name HA ))
( segid " B" and resid 10 and name HG1#)
4.049 0.810 0.810 peak 96 weight 1.00000E+00 volume 9.87323E+05 ppm1 4.227 ppm2 0.918
ASSI { 96}
(( segid " A" and resid 11 and name HA ))
( segid " A" and resid 10 and name HG1#)
4.049 0.810 0.810 peak 96 weight 1.00000E+00 volume 9.87323E+05 ppm1 4.227 ppm2 0.918
!6HA
ASSI { 97}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 12 and name HG1 ))
3.968 0.794 0.794 peak 97 weight 1.00000E+00 volume 1.11550E+06 ppm1 4.127 ppm2 2.393
ASSI { 97}
(( segid " B" and resid 9 and name HA ))
(( segid " B" and resid 12 and name HG1 ))
3.968 0.794 0.794 peak 97 weight 1.00000E+00 volume 1.11550E+06 ppm1 4.127 ppm2 2.393
!12HA
! ASSI { 99}
! (( segid " A" and resid 30 and name HA ))
! (( segid " A" and resid 28 and name HG1 ))
! 4.189 0.838 0.838 peak 99 weight 1.00000E+00 volume 8.05874E+05 ppm1 4.160 ppm2 1.393
ASSI { 103}
(( segid " B" and resid 13 and name HA ))
(( segid " B" and resid 13 and name HG ))
3.288 0.658 0.658 peak 103 weight 1.00000E+00 volume 3.44388E+06 ppm1 4.166 ppm2 1.812
ASSI { 103}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 13 and name HG ))
3.288 0.658 0.658 peak 103 weight 1.00000E+00 volume 3.44388E+06 ppm1 4.166 ppm2 1.812
!9HA
ASSI { 104}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 11 and name HB2 ))
4.725 0.945 0.945 peak 104 weight 1.00000E+00 volume 3.91388E+05 ppm1 4.231 ppm2 1.454
ASSI { 104}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 11 and name HB1 ))
4.725 0.945 0.945 peak 104 weight 1.00000E+00 volume 3.91388E+05 ppm1 4.231 ppm2 1.454
!11HA, 14HB2
ASSI { 105}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 14 and name HG ))
5.265 1.053 1.053 peak 105 weight 1.00000E+00 volume 2.04438E+05 ppm1 4.231 ppm2 1.726
ASSI { 105}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 14 and name HG ))
5.265 1.053 1.053 peak 105 weight 1.00000E+00 volume 2.04438E+05 ppm1 4.231 ppm2 1.726
!16HA
ASSI { 106}
(( segid " B" and resid 12 and name HG1 ))
(( segid " B" and resid 11 and name HA ))
5.437 1.087 1.087 peak 106 weight 1.00000E+00 volume 1.68551E+05 ppm1 4.157 ppm2 2.457
ASSI { 106}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 11 and name HA ))
5.437 1.087 1.087 peak 106 weight 1.00000E+00 volume 1.68551E+05 ppm1 4.157 ppm2 2.457
!11HG2
ASSI { 107}
(( segid " A" and resid 11 and name HG1 ))
(( segid " A" and resid 11 and name HA ))
3.590 0.718 0.718 peak 107 weight 1.00000E+00 volume 2.03514E+06 ppm1 4.166 ppm2 2.173
ASSI { 107}
(( segid " B" and resid 11 and name HG1 ))
(( segid " B" and resid 11 and name HA ))
3.590 0.718 0.718 peak 107 weight 1.00000E+00 volume 2.03514E+06 ppm1 4.166 ppm2 2.173
!10HB
ASSI { 108}
(( segid " B" and resid 3 and name HA ))
(( segid " A" and resid 3 and name HG2 ))
4.816 0.963 0.963 peak 108 weight 1.00000E+00 volume 3.48922E+05 ppm1 2.562 ppm2 4.187
ASSI { 108}
(( segid " A" and resid 3 and name HA ))
(( segid " B" and resid 3 and name HG2 ))
4.816 0.963 0.963 peak 108 weight 1.00000E+00 volume 3.48922E+05 ppm1 2.562 ppm2 4.187
!switch
ASSI { 109}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 13 and name HD21)
3.518 0.704 0.704 peak 109 weight 1.00000E+00 volume 2.29835E+06 ppm1 4.030 ppm2 0.831
ASSI { 109}
(( segid " B" and resid 13 and name HA ))
( segid " B" and resid 13 and name HD21)
3.518 0.704 0.704 peak 109 weight 1.00000E+00 volume 2.29835E+06 ppm1 4.030 ppm2 0.831
! ASSI { 110}
! (( segid " B" and resid 13 and name HA ))
! (( segid " A" and resid 13 and name HB1 ))
! 5.167 1.033 1.033 peak 110 weight 1.00000E+00 volume 2.28662E+05 ppm1 1.282 ppm2 4.010
!20HB1
ASSI { 112}
( segid " A" and resid 20 and name HD12)
(( segid " B" and resid 20 and name HB1 ))
3.797 0.759 0.759 peak 112 weight 1.00000E+00 volume 1.45181E+06 ppm1 1.305 ppm2 0.883
ASSI { 112}
( segid " B" and resid 20 and name HD12)
(( segid " A" and resid 20 and name HB1 ))
3.797 0.759 0.759 peak 112 weight 1.00000E+00 volume 1.45181E+06 ppm1 1.305 ppm2 0.883
!10HG1#
ASSI { 114}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 12 and name HG1 ))
5.321 1.064 1.064 peak 114 weight 1.00000E+00 volume 1.91812E+05 ppm1 2.335 ppm2 4.195
ASSI { 114}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 12 and name HG1 ))
5.321 1.064 1.064 peak 114 weight 1.00000E+00 volume 1.91812E+05 ppm1 2.335 ppm2 4.195
ASSI { 115}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 12 and name HG1 ))
3.629 0.726 0.726 peak 115 weight 1.00000E+00 volume 1.90700E+06 ppm1 2.335 ppm2 2.111
ASSI { 115}
(( segid " B" and resid 11 and name HB2 ))
(( segid " B" and resid 12 and name HG1 ))
3.629 0.726 0.726 peak 115 weight 1.00000E+00 volume 1.90700E+06 ppm1 2.335 ppm2 2.111
ASSI { 116}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 29 and name HG1 ))
4.667 0.933 0.933 peak 116 weight 1.00000E+00 volume 4.21425E+05 ppm1 1.505 ppm2 4.193
ASSI { 116}
(( segid " B" and resid 30 and name HA ))
(( segid " B" and resid 29 and name HG1 ))
4.667 0.933 0.933 peak 116 weight 1.00000E+00 volume 4.21425E+05 ppm1 1.505 ppm2 4.193
!11HA
! ASSI { 118}
! (( segid " A" and resid 16 and name HB1 ))
! (( segid " A" and resid 29 and name HG1 ))
! 3.907 0.781 0.781 peak 118 weight 1.00000E+00 volume 1.22394E+06 ppm1 1.505 ppm2 1.908
ASSI { 119}
(( segid " A" and resid 20 and name HB2 ))
(( segid " B" and resid 20 and name HB1 ))
2.923 0.585 0.585 peak 119 weight 1.00000E+00 volume 6.97557E+06 ppm1 1.503 ppm2 1.646
ASSI { 119}
(( segid " B" and resid 20 and name HB2 ))
(( segid " A" and resid 20 and name HB1 ))
2.923 0.585 0.585 peak 119 weight 1.00000E+00 volume 6.97557E+06 ppm1 1.503 ppm2 1.646
!made inter
! ASSI { 121}
! (( segid " A" and resid 28 and name HA ))
! (( segid " A" and resid 16 and name HG1 ))
! 4.484 0.897 0.897 peak 121 weight 1.00000E+00 volume 5.35562E+05 ppm1 3.811 ppm2 1.583
ASSI { 122}
(( segid " A" and resid 28 and name HA ))
(( segid " A" and resid 27 and name HB1 ))
4.362 0.872 0.872 peak 122 weight 1.00000E+00 volume 6.32023E+05 ppm1 3.811 ppm2 1.281
ASSI { 122}
(( segid " B" and resid 28 and name HA ))
(( segid " B" and resid 27 and name HB1 ))
4.362 0.872 0.872 peak 122 weight 1.00000E+00 volume 6.32023E+05 ppm1 3.811 ppm2 1.281
!13HB1
ASSI { 128}
(( segid " A" and resid 28 and name HB2 ))
(( segid " A" and resid 28 and name HG2 ))
3.846 0.969 0.969 peak 128 weight 1.00000E+00 volume 1.34491E+06 ppm1 1.621 ppm2 1.826
ASSI { 128}
(( segid " B" and resid 28 and name HB2 ))
(( segid " B" and resid 28 and name HG2 ))
3.846 0.969 0.969 peak 128 weight 1.00000E+00 volume 1.34491E+06 ppm1 1.621 ppm2 1.826
!13HG
ASSI { 132}
(( segid " A" and resid 18 and name HB1 ))
( segid " A" and resid 18 and name HE1 )
5.280 1.056 1.056 peak 132 weight 1.00000E+00 volume -2.00896E+05 ppm1 3.194 ppm2 6.841
ASSI { 132}
(( segid " B" and resid 18 and name HB1 ))
( segid " B" and resid 18 and name HE1 )
5.280 1.056 1.056 peak 132 weight 1.00000E+00 volume -2.00896E+05 ppm1 3.194 ppm2 6.841
! ASSI { 137}
! (( segid " B" and resid 11 and name HG2 ))
! (( segid " A" and resid 12 and name HB1 ))
! 4.168 0.834 0.834 peak 137 weight 1.00000E+00 volume 8.30245E+05 ppm1 2.022 ppm2 2.459
ASSI { 141}
(( segid " B" and resid 10 and name HA ))
( segid " A" and resid 10 and name HG23)
3.829 0.766 0.766 peak 141 weight 1.00000E+00 volume 1.38225E+06 ppm1 1.054 ppm2 3.415
ASSI { 141}
(( segid " A" and resid 10 and name HA ))
( segid " B" and resid 10 and name HG23)
3.829 0.766 0.766 peak 141 weight 1.00000E+00 volume 1.38225E+06 ppm1 1.054 ppm2 3.415
!switch
ASSI { 143}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 10 and name HA ))
4.997 0.999 0.999 peak 143 weight 1.00000E+00 volume 2.79739E+05 ppm1 2.255 ppm2 3.421
ASSI { 143}
(( segid " B" and resid 12 and name HB2 ))
(( segid " B" and resid 10 and name HA ))
4.997 0.999 0.999 peak 143 weight 1.00000E+00 volume 2.79739E+05 ppm1 2.255 ppm2 3.421
!10HB
ASSI { 144}
(( segid " B" and resid 10 and name HB ))
( segid " B" and resid 10 and name HG13)
3.411 0.982 0.982 peak 144 weight 1.00000E+00 volume 2.76471E+06 ppm1 2.260 ppm2 0.875
ASSI { 144}
(( segid " A" and resid 10 and name HB ))
( segid " A" and resid 10 and name HG13)
3.411 0.982 0.982 peak 144 weight 1.00000E+00 volume 2.76471E+06 ppm1 2.260 ppm2 0.875
! ASSI { 150}
! (( segid " A" and resid 9 and name HB1 ))
! (( segid " B" and resid 13 and name HG ))
! 4.155 0.931 0.931 peak 150 weight 1.00000E+00 volume 8.45896E+05 ppm1 1.614 ppm2 1.816
ASSI { 154}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 13 and name HG ))
4.511 0.902 0.902 peak 154 weight 1.00000E+00 volume 5.16604E+05 ppm1 4.204 ppm2 1.818
ASSI { 154}
(( segid " B" and resid 9 and name HA ))
(( segid " B" and resid 13 and name HG ))
4.511 0.902 0.902 peak 154 weight 1.00000E+00 volume 5.16604E+05 ppm1 4.204 ppm2 1.818
ASSI { 156}
(( segid " B" and resid 19 and name HA ))
(( segid " B" and resid 18 and name HB1 ))
4.671 0.934 0.934 peak 156 weight 1.00000E+00 volume 4.19419E+05 ppm1 2.658 ppm2 4.383
ASSI { 156}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 18 and name HB1 ))
4.671 0.934 0.934 peak 156 weight 1.00000E+00 volume 4.19419E+05 ppm1 2.658 ppm2 4.383
!8HA, 8HB2
! ASSI { 158}
! (( segid " B" and resid 8 and name HB2 ))
! (( segid " A" and resid 8 and name HB1 ))
! 3.464 0.693 0.693 peak 158 weight 1.00000E+00 volume 2.51845E+06 ppm1 2.807 ppm2 2.653
ASSI { 159}
(( segid " B" and resid 8 and name HA ))
(( segid " B" and resid 8 and name HB2 ))
3.521 0.704 0.704 peak 159 weight 1.00000E+00 volume 2.28640E+06 ppm1 2.666 ppm2 2.797
ASSI { 159}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HB2 ))
3.521 0.704 0.704 peak 159 weight 1.00000E+00 volume 2.28640E+06 ppm1 2.666 ppm2 2.797
ASSI { 161}
(( segid " A" and resid 10 and name HB ))
(( segid " A" and resid 11 and name HG1 ))
3.404 0.981 0.981 peak 161 weight 1.00000E+00 volume 2.79845E+06 ppm1 2.276 ppm2 2.098
ASSI { 161}
(( segid " B" and resid 10 and name HB ))
(( segid " B" and resid 11 and name HG1 ))
3.404 0.981 0.981 peak 161 weight 1.00000E+00 volume 2.79845E+06 ppm1 2.276 ppm2 2.098
!12HB2, 11HB2
ASSI { 162}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 11 and name HB2 ))
3.698 0.740 0.740 peak 162 weight 1.00000E+00 volume 1.70358E+06 ppm1 4.153 ppm2 2.084
ASSI { 162}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HB2 ))
3.698 0.740 0.740 peak 162 weight 1.00000E+00 volume 1.70358E+06 ppm1 4.153 ppm2 2.084
ASSI { 165}
(( segid " B" and resid 29 and name HA ))
(( segid " B" and resid 29 and name HB1 ))
3.265 0.653 0.653 peak 165 weight 1.00000E+00 volume 3.59497E+06 ppm1 4.165 ppm2 1.889
ASSI { 165}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 29 and name HB1 ))
3.265 0.653 0.653 peak 165 weight 1.00000E+00 volume 3.59497E+06 ppm1 4.165 ppm2 1.889
!16HB1
ASSI { 166}
(( segid " B" and resid 30 and name HB2 ))
(( segid " B" and resid 29 and name HG2 ))
4.418 0.884 0.884 peak 166 weight 1.00000E+00 volume 5.85611E+05 ppm1 1.606 ppm2 1.902
ASSI { 166}
(( segid " A" and resid 30 and name HB2 ))
(( segid " A" and resid 29 and name HG2 ))
4.418 0.884 0.884 peak 166 weight 1.00000E+00 volume 5.85611E+05 ppm1 1.606 ppm2 1.902
!16HB1
ASSI { 174}
(( segid " B" and resid 19 and name HA ))
(( segid " B" and resid 18 and name HN ))
5.288 1.058 1.058 peak 174 weight 1.00000E+00 volume 1.99036E+05 ppm1 4.345 ppm2 8.199
ASSI { 174}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 18 and name HN ))
5.288 1.058 1.058 peak 174 weight 1.00000E+00 volume 1.99036E+05 ppm1 4.345 ppm2 8.199
!8HA, 12HN
ASSI { 179}
(( segid " B" and resid 16 and name HA ))
(( segid " B" and resid 15 and name HN ))
5.044 1.009 1.009 peak 179 weight 1.00000E+00 volume 2.64499E+05 ppm1 4.176 ppm2 7.849
ASSI { 179}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 15 and name HN ))
5.044 1.009 1.009 peak 179 weight 1.00000E+00 volume 2.64499E+05 ppm1 4.176 ppm2 7.849
ASSI { 182}
(( segid " A" and resid 11 and name HN ))
( segid " A" and resid 10 and name HG12)
3.843 0.769 0.769 peak 182 weight 1.00000E+00 volume -1.35204E+06 ppm1 0.906 ppm2 7.838
ASSI { 182}
(( segid " B" and resid 11 and name HN ))
( segid " B" and resid 10 and name HG12)
3.843 0.769 0.769 peak 182 weight 1.00000E+00 volume -1.35204E+06 ppm1 0.906 ppm2 7.838
!15HN
ASSI { 184}
(( segid " B" and resid 33 and name HA ))
( segid " B" and resid 31 and name HG2#)
3.915 0.783 0.783 peak 184 weight 1.00000E+00 volume 1.20827E+06 ppm1 0.989 ppm2 4.167
ASSI { 184}
(( segid " A" and resid 33 and name HA ))
( segid " A" and resid 31 and name HG2#)
3.915 0.783 0.783 peak 184 weight 1.00000E+00 volume 1.20827E+06 ppm1 0.989 ppm2 4.167
ASSI { 192}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 29 and name HB1 ))
4.115 0.823 0.823 peak 192 weight 1.00000E+00 volume 8.96298E+05 ppm1 1.920 ppm2 4.192
ASSI { 192}
(( segid " B" and resid 30 and name HA ))
(( segid " B" and resid 29 and name HB1 ))
4.115 0.823 0.823 peak 192 weight 1.00000E+00 volume 8.96298E+05 ppm1 1.920 ppm2 4.192
ASSI { 195}
(( segid " B" and resid 11 and name HG1 ))
(( segid " B" and resid 7 and name HA ))
4.150 0.930 0.930 peak 195 weight 1.00000E+00 volume 8.52584E+05 ppm1 3.826 ppm2 2.186
ASSI { 195}
(( segid " A" and resid 11 and name HG1 ))
(( segid " A" and resid 7 and name HA ))
4.150 0.930 0.930 peak 195 weight 1.00000E+00 volume 8.52584E+05 ppm1 3.826 ppm2 2.186
!10HB
ASSI { 197}
(( segid " B" and resid 30 and name HB2 ))
(( segid " B" and resid 29 and name HB1 ))
4.201 0.840 0.840 peak 197 weight 1.00000E+00 volume 7.92524E+05 ppm1 1.334 ppm2 1.917
ASSI { 197}
(( segid " A" and resid 30 and name HB2 ))
(( segid " A" and resid 29 and name HB1 ))
4.201 0.840 0.840 peak 197 weight 1.00000E+00 volume 7.92524E+05 ppm1 1.334 ppm2 1.917
!27HB2, 16HB1
ASSI { 198}
(( segid " A" and resid 13 and name HB1 ))
( segid " B" and resid 13 and name HD22)
3.819 0.964 0.964 peak 198 weight 1.00000E+00 volume 1.40297E+06 ppm1 1.330 ppm2 0.831
ASSI { 198}
(( segid " B" and resid 13 and name HB1 ))
( segid " A" and resid 13 and name HD22)
3.819 0.964 0.964 peak 198 weight 1.00000E+00 volume 1.40297E+06 ppm1 1.330 ppm2 0.831
! ASSI { 202}
! (( segid " A" and resid 11 and name HG1 ))
! (( segid " B" and resid 13 and name HA ))
! 3.912 0.782 0.782 peak 202 weight 1.00000E+00 volume 1.21472E+06 ppm1 1.873 ppm2 2.153
ASSI { 208}
(( segid " B" and resid 24 and name HA ))
( segid " B" and resid 24 and name HG1#)
3.643 0.729 0.729 peak 208 weight 1.00000E+00 volume 1.86157E+06 ppm1 3.389 ppm2 0.986
ASSI { 208}
(( segid " A" and resid 24 and name HA ))
( segid " A" and resid 24 and name HG1#)
3.643 0.729 0.729 peak 208 weight 1.00000E+00 volume 1.86157E+06 ppm1 3.389 ppm2 0.986
!20HD1#
ASSI { 210}
(( segid " B" and resid 10 and name HA ))
(( segid " A" and resid 13 and name HB1 ))
5.079 1.016 1.016 peak 210 weight 1.00000E+00 volume 2.53565E+05 ppm1 3.392 ppm2 1.273
ASSI { 210}
(( segid " A" and resid 10 and name HA ))
(( segid " B" and resid 13 and name HB1 ))
5.079 1.016 1.016 peak 210 weight 1.00000E+00 volume 2.53565E+05 ppm1 3.392 ppm2 1.273
ASSI { 211}
(( segid " B" and resid 10 and name HA ))
(( segid " A" and resid 13 and name HB2 ))
4.138 0.828 0.828 peak 211 weight 1.00000E+00 volume 8.67367E+05 ppm1 3.392 ppm2 1.947
ASSI { 211}
(( segid " A" and resid 10 and name HA ))
(( segid " B" and resid 13 and name HB2 ))
4.138 0.828 0.828 peak 211 weight 1.00000E+00 volume 8.67367E+05 ppm1 3.392 ppm2 1.947
ASSI { 213}
(( segid " A" and resid 14 and name HB2 ))
( segid " A" and resid 10 and name HG12)
3.450 0.690 0.690 peak 213 weight 1.00000E+00 volume 2.58088E+06 ppm1 2.108 ppm2 0.868
ASSI { 213}
(( segid " B" and resid 14 and name HB2 ))
( segid " B" and resid 10 and name HG12)
3.450 0.690 0.690 peak 213 weight 1.00000E+00 volume 2.58088E+06 ppm1 2.108 ppm2 0.868
!11HB1
ASSI { 214}
(( segid " B" and resid 23 and name HA ))
(( segid " B" and resid 27 and name HG ))
4.187 0.837 0.837 peak 214 weight 1.00000E+00 volume 8.08268E+05 ppm1 4.459 ppm2 1.912
ASSI { 214}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 27 and name HG ))
4.187 0.837 0.837 peak 214 weight 1.00000E+00 volume 8.08268E+05 ppm1 4.459 ppm2 1.912
ASSI { 223}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 11 and name HG2 ))
3.446 0.689 0.689 peak 223 weight 1.00000E+00 volume 2.59815E+06 ppm1 2.164 ppm2 2.472
ASSI { 223}
(( segid " B" and resid 11 and name HB2 ))
(( segid " B" and resid 11 and name HG2 ))
3.446 0.689 0.689 peak 223 weight 1.00000E+00 volume 2.59815E+06 ppm1 2.164 ppm2 2.472
ASSI { 234}
(( segid " B" and resid 17 and name HA ))
(( segid " B" and resid 20 and name HB1 ))
4.702 0.940 0.940 peak 234 weight 1.00000E+00 volume 4.02860E+05 ppm1 4.396 ppm2 1.276
ASSI { 234}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 20 and name HB1 ))
4.702 0.940 0.940 peak 234 weight 1.00000E+00 volume 4.02860E+05 ppm1 4.396 ppm2 1.276
!13HB1
! ASSI { 236}
! (( segid " A" and resid 8 and name HA ))
! ( segid " A" and resid 10 and name HG1#)
! 3.959 0.792 0.792 peak 236 weight 1.00000E+00 volume 1.13150E+06 ppm1 4.393 ppm2 0.901
ASSI { 240}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HE1 ))
4.717 0.943 0.943 peak 240 weight 1.00000E+00 volume 3.95109E+05 ppm1 4.219 ppm2 3.296
ASSI { 240}
(( segid " B" and resid 16 and name HA ))
(( segid " B" and resid 16 and name HE1 ))
4.717 0.943 0.943 peak 240 weight 1.00000E+00 volume 3.95109E+05 ppm1 4.219 ppm2 3.296
ASSI { 243}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 16 and name HB1 ))
4.555 0.911 0.911 peak 243 weight 1.00000E+00 volume -4.87273E+05 ppm1 1.859 ppm2 8.207
ASSI { 243}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 16 and name HB1 ))
4.555 0.911 0.911 peak 243 weight 1.00000E+00 volume -4.87273E+05 ppm1 1.859 ppm2 8.207
!12HN
! ASSI { 247}
! (( segid " A" and resid 14 and name HA ))
! (( segid " A" and resid 11 and name HB1 ))
! 4.199 0.840 0.840 peak 247 weight 1.00000E+00 volume 7.93733E+05 ppm1 4.074 ppm2 1.979
ASSI { 250}
(( segid " B" and resid 15 and name HA ))
(( segid " B" and resid 17 and name HB2 ))
5.212 1.042 1.042 peak 250 weight 1.00000E+00 volume 2.17283E+05 ppm1 4.072 ppm2 2.731
ASSI { 250}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 17 and name HB2 ))
5.212 1.042 1.042 peak 250 weight 1.00000E+00 volume 2.17283E+05 ppm1 4.072 ppm2 2.731
!14HA
ASSI { 253}
( segid " A" and resid 14 and name HD12)
(( segid " A" and resid 17 and name HB2 ))
4.338 0.868 0.868 peak 253 weight 1.00000E+00 volume -6.53638E+05 ppm1 0.919 ppm2 2.734
ASSI { 253}
( segid " B" and resid 14 and name HD12)
(( segid " B" and resid 17 and name HB2 ))
4.338 0.868 0.868 peak 253 weight 1.00000E+00 volume -6.53638E+05 ppm1 0.919 ppm2 2.734
ASSI { 254}
(( segid " A" and resid 16 and name HB1 ))
(( segid " A" and resid 13 and name HA ))
3.683 0.937 0.937 peak 254 weight 1.00000E+00 volume 1.74551E+06 ppm1 4.027 ppm2 1.889
ASSI { 254}
(( segid " B" and resid 16 and name HB1 ))
(( segid " B" and resid 13 and name HA ))
3.683 0.937 0.937 peak 254 weight 1.00000E+00 volume 1.74551E+06 ppm1 4.027 ppm2 1.889
ASSI { 255}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 16 and name HB2 ))
3.923 0.785 0.785 peak 255 weight 1.00000E+00 volume 1.19352E+06 ppm1 4.027 ppm2 1.692
ASSI { 255}
(( segid " B" and resid 13 and name HA ))
(( segid " B" and resid 16 and name HB2 ))
3.923 0.785 0.785 peak 255 weight 1.00000E+00 volume 1.19352E+06 ppm1 4.027 ppm2 1.692
!14HG
ASSI { 256}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 15 and name HB1 ))
3.038 0.608 0.608 peak 256 weight 1.00000E+00 volume 5.53448E+06 ppm1 4.157 ppm2 4.377
ASSI { 256}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 15 and name HB1 ))
3.038 0.608 0.608 peak 256 weight 1.00000E+00 volume 5.53448E+06 ppm1 4.157 ppm2 4.377
!16HA
ASSI { 259}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 15 and name HN ))
5.359 1.072 1.072 peak 259 weight 1.00000E+00 volume 1.83837E+05 ppm1 4.153 ppm2 7.846
ASSI { 259}
(( segid " B" and resid 16 and name HA ))
(( segid " B" and resid 15 and name HN ))
5.359 1.072 1.072 peak 259 weight 1.00000E+00 volume 1.83837E+05 ppm1 4.153 ppm2 7.846
!11HA
ASSI { 261}
(( segid " A" and resid 10 and name HA ))
( segid " A" and resid 10 and name HG1#)
3.314 0.663 0.663 peak 261 weight 1.00000E+00 volume 3.28371E+06 ppm1 3.425 ppm2 0.880
ASSI { 261}
(( segid " B" and resid 10 and name HA ))
( segid " B" and resid 10 and name HG1#)
3.314 0.663 0.663 peak 261 weight 1.00000E+00 volume 3.28371E+06 ppm1 3.425 ppm2 0.880
ASSI { 265}
( segid " A" and resid 10 and name HG2#)
( segid " A" and resid 10 and name HG11)
2.872 0.574 0.574 peak 265 weight 1.00000E+00 volume -7.75332E+06 ppm1 0.915 ppm2 1.098
ASSI { 265}
( segid " B" and resid 10 and name HG22)
( segid " B" and resid 10 and name HG13)
2.872 0.574 0.574 peak 265 weight 1.00000E+00 volume -7.75332E+06 ppm1 0.915 ppm2 1.098
ASSI { 266}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 11 and name HB2 ))
4.044 0.809 0.809 peak 266 weight 1.00000E+00 volume 9.95059E+05 ppm1 4.195 ppm2 2.056
ASSI { 266}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 11 and name HB2 ))
4.044 0.809 0.809 peak 266 weight 1.00000E+00 volume 9.95059E+05 ppm1 4.195 ppm2 2.056
!6HA
ASSI { 269}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 18 and name HB2 ))
4.231 0.846 0.846 peak 269 weight 1.00000E+00 volume 7.58373E+05 ppm1 4.397 ppm2 2.799
ASSI { 269}
(( segid " B" and resid 19 and name HA ))
(( segid " B" and resid 18 and name HB2 ))
4.231 0.846 0.846 peak 269 weight 1.00000E+00 volume 7.58373E+05 ppm1 4.397 ppm2 2.799
!17HA
! ASSI { 270}
! (( segid " A" and resid 8 and name HA ))
! (( segid " B" and resid 11 and name HB2 ))
! 3.799 0.960 0.960 peak 270 weight 1.00000E+00 volume 1.44789E+06 ppm1 4.397 ppm2 2.100
ASSI { 271}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 8 and name HA ))
4.383 0.877 0.877 peak 271 weight 1.00000E+00 volume -6.14144E+05 ppm1 4.397 ppm2 8.205
ASSI { 271}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 8 and name HA ))
4.383 0.877 0.877 peak 271 weight 1.00000E+00 volume -6.14144E+05 ppm1 4.397 ppm2 8.205
ASSI { 272}
(( segid " A" and resid 8 and name HB2 ))
(( segid " A" and resid 12 and name HG1 ))
5.430 1.086 1.086 peak 272 weight 1.00000E+00 volume -1.69915E+05 ppm1 2.663 ppm2 2.368
ASSI { 272}
(( segid " B" and resid 8 and name HB2 ))
(( segid " B" and resid 12 and name HG1 ))
5.430 1.086 1.086 peak 272 weight 1.00000E+00 volume -1.69915E+05 ppm1 2.663 ppm2 2.368
ASSI { 279}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 11 and name HN ))
5.396 1.079 1.079 peak 279 weight 1.00000E+00 volume 1.76380E+05 ppm1 4.130 ppm2 7.840
ASSI { 279}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 11 and name HN ))
5.396 1.079 1.079 peak 279 weight 1.00000E+00 volume 1.76380E+05 ppm1 4.130 ppm2 7.840
!15HN
ASSI { 280}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 8 and name HB2 ))
4.692 0.938 0.938 peak 280 weight 1.00000E+00 volume 4.07976E+05 ppm1 4.139 ppm2 2.663
ASSI { 280}
(( segid " B" and resid 9 and name HA ))
(( segid " B" and resid 8 and name HB2 ))
4.692 0.938 0.938 peak 280 weight 1.00000E+00 volume 4.07976E+05 ppm1 4.139 ppm2 2.663
!11HA
ASSI { 281}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 5 and name HG2 ))
5.177 1.035 1.035 peak 281 weight 1.00000E+00 volume -2.26030E+05 ppm1 2.431 ppm2 7.840
ASSI { 281}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 5 and name HG2 ))
5.177 1.035 1.035 peak 281 weight 1.00000E+00 volume -2.26030E+05 ppm1 2.431 ppm2 7.840
! ASSI { 284}
! (( segid " B" and resid 9 and name HA ))
! ( segid " B" and resid 13 and name HD2#)
! 4.007 0.801 0.801 peak 284 weight 1.00000E+00 volume 1.05106E+06 ppm1 4.164 ppm2 0.836
ASSI { 58}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HB1 ))
3.342 0.968 0.968 peak 58 weight 1.00000E+00 volume 2.62404E+06 ppm1 7.447 ppm2 1.623
ASSI { 58}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 30 and name HB1 ))
3.342 0.968 0.968 peak 58 weight 1.00000E+00 volume 2.62404E+06 ppm1 7.447 ppm2 1.623
ASSI { 77}
(( segid " A" and resid 24 and name HN ))
( segid " A" and resid 25 and name HB# )
4.689 0.938 0.938 peak 77 weight 1.00000E+00 volume 3.44339E+05 ppm1 8.721 ppm2 1.447
ASSI { 77}
(( segid " B" and resid 24 and name HN ))
( segid " B" and resid 25 and name HB# )
4.689 0.938 0.938 peak 77 weight 1.00000E+00 volume 3.44339E+05 ppm1 8.721 ppm2 1.447
ASSI { 127}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB1 ))
3.642 0.728 0.728 peak 127 weight 1.00000E+00 volume 1.56626E+06 ppm1 7.837 ppm2 1.456
ASSI { 127}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 6 and name HB1 ))
3.642 0.728 0.728 peak 127 weight 1.00000E+00 volume 1.56626E+06 ppm1 7.837 ppm2 1.456
ASSI { 85}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 21 and name HN ))
3.612 0.922 0.922 peak 85 weight 1.00000E+00 volume 1.64768E+06 ppm1 8.563 ppm2 8.853
ASSI { 85}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 21 and name HN ))
3.612 0.922 0.922 peak 85 weight 1.00000E+00 volume 1.64768E+06 ppm1 8.563 ppm2 8.853
ASSI { 15}
(( segid " B" and resid 14 and name HA ))
(( segid " B" and resid 14 and name HN ))
3.115 0.623 0.623 peak 15 weight 1.00000E+00 volume 4.00364E+06 ppm1 9.069 ppm2 4.092
ASSI { 15}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 14 and name HN ))
3.115 0.623 0.623 peak 15 weight 1.00000E+00 volume 4.00364E+06 ppm1 9.069 ppm2 4.092
ASSI { 114}
(( segid " B" and resid 14 and name HN ))
(( segid " B" and resid 12 and name HN ))
4.300 0.860 0.860 peak 114 weight 1.00000E+00 volume -5.78245E+05 ppm1 8.182 ppm2 9.103
ASSI { 114}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 12 and name HN ))
4.300 0.860 0.860 peak 114 weight 1.00000E+00 volume -5.78245E+05 ppm1 8.182 ppm2 9.103
ASSI { 165}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 9 and name HN ))
3.240 0.648 0.648 peak 165 weight 1.00000E+00 volume 3.16325E+06 ppm1 8.443 ppm2 7.922
ASSI { 165}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HN ))
3.240 0.648 0.648 peak 165 weight 1.00000E+00 volume 3.16325E+06 ppm1 8.443 ppm2 7.922
ASSI { 71}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 26 and name HB2 ))
3.139 0.628 0.628 peak 71 weight 1.00000E+00 volume 3.82261E+06 ppm1 7.953 ppm2 1.885
ASSI { 71}
(( segid " B" and resid 26 and name HN ))
(( segid " B" and resid 26 and name HB2 ))
3.139 0.628 0.628 peak 71 weight 1.00000E+00 volume 3.82261E+06 ppm1 7.953 ppm2 1.885
ASSI { 145}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HB2 ))
3.537 0.907 0.907 peak 145 weight 1.00000E+00 volume 1.86674E+06 ppm1 9.070 ppm2 1.497
ASSI { 145}
(( segid " B" and resid 14 and name HN ))
(( segid " B" and resid 14 and name HB2 ))
3.537 0.907 0.907 peak 145 weight 1.00000E+00 volume 1.86674E+06 ppm1 9.070 ppm2 1.497
ASSI { 87}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 23 and name HN ))
4.977 0.995 0.995 peak 87 weight 1.00000E+00 volume 2.40648E+05 ppm1 8.566 ppm2 8.144
ASSI { 87}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 23 and name HN ))
4.977 0.995 0.995 peak 87 weight 1.00000E+00 volume 2.40648E+05 ppm1 8.566 ppm2 8.144
ASSI { 51}
(( segid " B" and resid 8 and name HN ))
(( segid " B" and resid 7 and name HB2 ))
2.852 0.970 0.970 peak 51 weight 1.00000E+00 volume 6.80118E+06 ppm1 8.673 ppm2 2.251
ASSI { 51}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 7 and name HB2 ))
2.852 0.970 0.970 peak 51 weight 1.00000E+00 volume 6.80118E+06 ppm1 8.673 ppm2 2.251
!7HB1
ASSI { 128}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 6 and name HN ))
3.515 0.703 0.703 peak 128 weight 1.00000E+00 volume 1.93775E+06 ppm1 7.837 ppm2 8.653
ASSI { 128}
(( segid " B" and resid 7 and name HN ))
(( segid " B" and resid 6 and name HN ))
3.515 0.703 0.703 peak 128 weight 1.00000E+00 volume 1.93775E+06 ppm1 7.837 ppm2 8.653
! ASSI { 160}
! ( segid " A" and resid 1 and name HT# )
! (( segid " B" and resid 1 and name HA1 ))
! 4.121 0.824 0.824 peak 160 weight 1.00000E+00 volume 7.46620E+05 ppm1 7.695 ppm2 3.826
! ASSI { 116}
! (( segid " B" and resid 12 and name HN ))
! (( segid " B" and resid 11 and name HN ))
! 4.096 0.819 0.819 peak 116 weight 1.00000E+00 volume 7.74986E+05 ppm1 7.785 ppm2 8.189
ASSI { 24}
(( segid " B" and resid 4 and name HA ))
(( segid " B" and resid 4 and name HN ))
3.289 0.658 0.658 peak 24 weight 1.00000E+00 volume 2.89132E+06 ppm1 8.180 ppm2 4.202
ASSI { 24}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HN ))
3.289 0.658 0.658 peak 24 weight 1.00000E+00 volume 2.89132E+06 ppm1 8.180 ppm2 4.202
ASSI { 141}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HG ))
3.385 0.677 0.677 peak 141 weight 1.00000E+00 volume 2.43227E+06 ppm1 7.836 ppm2 1.807
ASSI { 141}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 6 and name HG ))
3.385 0.677 0.677 peak 141 weight 1.00000E+00 volume 2.43227E+06 ppm1 7.836 ppm2 1.807
ASSI { 89}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 18 and name HB1 ))
2.716 0.543 0.543 peak 89 weight 1.00000E+00 volume 9.11608E+06 ppm1 8.200 ppm2 3.232
ASSI { 89}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 18 and name HB1 ))
2.716 0.543 0.543 peak 89 weight 1.00000E+00 volume 9.11608E+06 ppm1 8.200 ppm2 3.232
ASSI { 131}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 5 and name HN ))
4.475 0.895 0.895 peak 131 weight 1.00000E+00 volume 4.55164E+05 ppm1 7.734 ppm2 8.648
ASSI { 131}
(( segid " B" and resid 7 and name HN ))
(( segid " B" and resid 5 and name HN ))
4.475 0.895 0.895 peak 131 weight 1.00000E+00 volume 4.55164E+05 ppm1 7.734 ppm2 8.648
ASSI { 176}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HN ))
3.582 0.716 0.716 peak 176 weight 1.00000E+00 volume 1.73136E+06 ppm1 8.199 ppm2 8.840
ASSI { 176}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 17 and name HN ))
3.582 0.716 0.716 peak 176 weight 1.00000E+00 volume 1.73136E+06 ppm1 8.199 ppm2 8.840
ASSI { 177}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 18 and name HN ))
3.495 0.699 0.699 peak 177 weight 1.00000E+00 volume 2.00846E+06 ppm1 7.827 ppm2 8.197
ASSI { 177}
(( segid " B" and resid 19 and name HN ))
(( segid " B" and resid 18 and name HN ))
3.495 0.699 0.699 peak 177 weight 1.00000E+00 volume 2.00846E+06 ppm1 7.827 ppm2 8.197
ASSI { 142}
(( segid " B" and resid 11 and name HN ))
(( segid " B" and resid 11 and name HG2 ))
3.511 0.702 0.702 peak 142 weight 1.00000E+00 volume 1.95372E+06 ppm1 7.785 ppm2 2.447
ASSI { 142}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HG2 ))
3.511 0.702 0.702 peak 142 weight 1.00000E+00 volume 1.95372E+06 ppm1 7.785 ppm2 2.447
ASSI { 62}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 29 and name HB1 ))
2.730 0.546 0.546 peak 62 weight 1.00000E+00 volume 8.84209E+06 ppm1 7.314 ppm2 1.916
ASSI { 62}
(( segid " B" and resid 29 and name HN ))
(( segid " B" and resid 29 and name HB1 ))
2.730 0.546 0.546 peak 62 weight 1.00000E+00 volume 8.84209E+06 ppm1 7.314 ppm2 1.916
ASSI { 169}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 6 and name HN ))
3.367 0.673 0.673 peak 169 weight 1.00000E+00 volume 2.50989E+06 ppm1 8.679 ppm2 7.830
ASSI { 169}
(( segid " B" and resid 7 and name HN ))
(( segid " B" and resid 6 and name HN ))
3.367 0.673 0.673 peak 169 weight 1.00000E+00 volume 2.50989E+06 ppm1 8.679 ppm2 7.830
ASSI { 18}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 11 and name HN ))
3.140 0.628 0.628 peak 18 weight 1.00000E+00 volume 3.81253E+06 ppm1 7.784 ppm2 4.170
ASSI { 18}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HN ))
3.140 0.628 0.628 peak 18 weight 1.00000E+00 volume 3.81253E+06 ppm1 7.784 ppm2 4.170
ASSI { 179}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 21 and name HN ))
3.581 0.716 0.716 peak 179 weight 1.00000E+00 volume 1.73580E+06 ppm1 8.878 ppm2 8.545
ASSI { 179}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 21 and name HN ))
3.581 0.716 0.716 peak 179 weight 1.00000E+00 volume 1.73580E+06 ppm1 8.878 ppm2 8.545
!17HN
ASSI { 23}
(( segid " B" and resid 5 and name HA ))
(( segid " B" and resid 5 and name HN ))
3.299 0.660 0.660 peak 23 weight 1.00000E+00 volume 2.83754E+06 ppm1 7.735 ppm2 4.067
ASSI { 23}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HN ))
3.299 0.660 0.660 peak 23 weight 1.00000E+00 volume 2.83754E+06 ppm1 7.735 ppm2 4.067
ASSI { 168}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 11 and name HN ))
3.419 0.684 0.684 peak 168 weight 1.00000E+00 volume 2.29103E+06 ppm1 7.734 ppm2 8.457
!5HN
ASSI { 168}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 11 and name HN ))
3.419 0.684 0.684 peak 168 weight 1.00000E+00 volume 2.29103E+06 ppm1 7.734 ppm2 8.457
!5HN
ASSI { 107}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HB1 ))
2.942 0.588 0.588 peak 107 weight 1.00000E+00 volume 5.63770E+06 ppm1 9.070 ppm2 1.986
ASSI { 107}
(( segid " B" and resid 14 and name HN ))
(( segid " B" and resid 14 and name HB1 ))
2.942 0.588 0.588 peak 107 weight 1.00000E+00 volume 5.63770E+06 ppm1 9.070 ppm2 1.986
! ASSI { 69}
! (( segid " A" and resid 10 and name HN ))
! (( segid " A" and resid 14 and name HN ))
! 3.895 0.779 0.779 peak 69 weight 1.00000E+00 volume 1.04766E+06 ppm1 8.455 ppm2 9.017
ASSI { 154}
(( segid " A" and resid 21 and name HB1 ))
(( segid " A" and resid 21 and name HN ))
3.143 0.629 0.629 peak 154 weight 1.00000E+00 volume 3.79116E+06 ppm1 8.877 ppm2 2.020
ASSI { 154}
(( segid " B" and resid 21 and name HB1 ))
(( segid " B" and resid 21 and name HN ))
3.143 0.629 0.629 peak 154 weight 1.00000E+00 volume 3.79116E+06 ppm1 8.877 ppm2 2.020
!17HN
ASSI { 9}
(( segid " B" and resid 20 and name HA ))
(( segid " B" and resid 20 and name HN ))
3.645 0.729 0.729 peak 9 weight 1.00000E+00 volume 1.56055E+06 ppm1 8.563 ppm2 3.981
ASSI { 9}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 20 and name HN ))
3.645 0.729 0.729 peak 9 weight 1.00000E+00 volume 1.56055E+06 ppm1 8.563 ppm2 3.981
ASSI { 75}
(( segid " B" and resid 24 and name HN ))
( segid " B" and resid 24 and name HG23)
2.888 0.578 0.578 peak 75 weight 1.00000E+00 volume 6.30437E+06 ppm1 8.723 ppm2 1.016
ASSI { 75}
(( segid " A" and resid 24 and name HN ))
( segid " A" and resid 24 and name HG23)
2.888 0.578 0.578 peak 75 weight 1.00000E+00 volume 6.30437E+06 ppm1 8.723 ppm2 1.016
ASSI { 98}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 16 and name HB1 ))
2.921 0.584 0.584 peak 98 weight 1.00000E+00 volume 5.88916E+06 ppm1 8.280 ppm2 1.896
ASSI { 98}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 16 and name HB1 ))
2.921 0.584 0.584 peak 98 weight 1.00000E+00 volume 5.88916E+06 ppm1 8.280 ppm2 1.896
ASSI { 108}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 15 and name HN ))
3.443 0.689 0.689 peak 108 weight 1.00000E+00 volume 2.19513E+06 ppm1 9.070 ppm2 7.837
ASSI { 108}
(( segid " B" and resid 14 and name HN ))
(( segid " B" and resid 15 and name HN ))
3.443 0.689 0.689 peak 108 weight 1.00000E+00 volume 2.19513E+06 ppm1 9.070 ppm2 7.837
ASSI { 73}
(( segid " B" and resid 27 and name HN ))
(( segid " B" and resid 26 and name HN ))
3.456 0.691 0.691 peak 73 weight 1.00000E+00 volume 2.14662E+06 ppm1 7.953 ppm2 8.460
ASSI { 73}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 26 and name HN ))
3.456 0.691 0.691 peak 73 weight 1.00000E+00 volume 2.14662E+06 ppm1 7.953 ppm2 8.460
ASSI { 157}
(( segid " A" and resid 33 and name HB2 ))
(( segid " A" and resid 33 and name HN ))
3.165 0.633 0.633 peak 157 weight 1.00000E+00 volume 3.63566E+06 ppm1 7.809 ppm2 2.170
ASSI { 157}
(( segid " B" and resid 33 and name HB2 ))
(( segid " B" and resid 33 and name HN ))
3.165 0.633 0.633 peak 157 weight 1.00000E+00 volume 3.63566E+06 ppm1 7.809 ppm2 2.170
ASSI { 79}
(( segid " B" and resid 24 and name HN ))
(( segid " B" and resid 23 and name HN ))
3.553 0.711 0.711 peak 79 weight 1.00000E+00 volume 1.81782E+06 ppm1 8.137 ppm2 8.737
ASSI { 79}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 23 and name HN ))
3.553 0.711 0.711 peak 79 weight 1.00000E+00 volume 1.81782E+06 ppm1 8.137 ppm2 8.737
ASSI { 21}
(( segid " B" and resid 7 and name HA ))
(( segid " B" and resid 8 and name HN ))
3.995 0.799 0.799 peak 21 weight 1.00000E+00 volume 8.99246E+05 ppm1 8.690 ppm2 3.840
ASSI { 21}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 8 and name HN ))
3.995 0.799 0.799 peak 21 weight 1.00000E+00 volume 8.99246E+05 ppm1 8.690 ppm2 3.840
!13HN
! ASSI { 110}
! (( segid " A" and resid 14 and name HN ))
! (( segid " A" and resid 13 and name HN ))
! 4.091 0.818 0.818 peak 110 weight 1.00000E+00 volume 7.80765E+05 ppm1 8.663 ppm2 9.100
ASSI { 122}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HB1 ))
3.041 0.608 0.608 peak 122 weight 1.00000E+00 volume 4.62806E+06 ppm1 8.645 ppm2 2.796
ASSI { 122}
(( segid " B" and resid 8 and name HN ))
(( segid " B" and resid 8 and name HB1 ))
3.041 0.608 0.608 peak 122 weight 1.00000E+00 volume 4.62806E+06 ppm1 8.645 ppm2 2.796
ASSI { 170}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 9 and name HN ))
3.319 0.664 0.664 peak 170 weight 1.00000E+00 volume 2.73596E+06 ppm1 7.914 ppm2 8.645
ASSI { 170}
(( segid " B" and resid 8 and name HN ))
(( segid " B" and resid 9 and name HN ))
3.319 0.664 0.664 peak 170 weight 1.00000E+00 volume 2.73596E+06 ppm1 7.914 ppm2 8.645
ASSI { 31}
(( segid " B" and resid 25 and name HN ))
( segid " B" and resid 25 and name HB# )
2.809 0.562 0.562 peak 31 weight 1.00000E+00 volume 7.44698E+06 ppm1 7.759 ppm2 1.495
ASSI { 31}
(( segid " A" and resid 25 and name HN ))
( segid " A" and resid 25 and name HB# )
2.809 0.562 0.562 peak 31 weight 1.00000E+00 volume 7.44698E+06 ppm1 7.759 ppm2 1.495
ASSI { 102}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HB1 ))
3.270 0.654 0.654 peak 102 weight 1.00000E+00 volume 2.98984E+06 ppm1 7.842 ppm2 4.363
ASSI { 102}
(( segid " B" and resid 15 and name HN ))
(( segid " B" and resid 15 and name HB1 ))
3.270 0.654 0.654 peak 102 weight 1.00000E+00 volume 2.98984E+06 ppm1 7.842 ppm2 4.363
ASSI { 7}
(( segid " B" and resid 24 and name HA ))
(( segid " B" and resid 24 and name HN ))
3.675 0.735 0.735 peak 7 weight 1.00000E+00 volume 1.48566E+06 ppm1 8.722 ppm2 3.403
ASSI { 7}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 24 and name HN ))
3.675 0.735 0.735 peak 7 weight 1.00000E+00 volume 1.48566E+06 ppm1 8.722 ppm2 3.403
ASSI { 93}
(( segid " B" and resid 17 and name HN ))
(( segid " B" and resid 17 and name HB1 ))
3.451 0.690 0.690 peak 93 weight 1.00000E+00 volume 2.16374E+06 ppm1 8.833 ppm2 3.266
ASSI { 93}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HB1 ))
3.451 0.690 0.690 peak 93 weight 1.00000E+00 volume 2.16374E+06 ppm1 8.833 ppm2 3.266
ASSI { 81}
(( segid " B" and resid 22 and name HN ))
(( segid " B" and resid 23 and name HN ))
3.388 0.678 0.678 peak 81 weight 1.00000E+00 volume 2.41795E+06 ppm1 7.757 ppm2 8.129
ASSI { 81}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 23 and name HN ))
3.388 0.678 0.678 peak 81 weight 1.00000E+00 volume 2.41795E+06 ppm1 7.757 ppm2 8.129
ASSI { 95}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 17 and name HN ))
3.589 0.718 0.718 peak 95 weight 1.00000E+00 volume 1.71023E+06 ppm1 8.833 ppm2 8.211
ASSI { 95}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HN ))
3.589 0.718 0.718 peak 95 weight 1.00000E+00 volume 1.71023E+06 ppm1 8.833 ppm2 8.211
ASSI { 1}
(( segid " A" and resid 32 and name HA1 ))
(( segid " A" and resid 32 and name HN ))
2.875 0.575 0.575 peak 1 weight 1.00000E+00 volume 6.48350E+06 ppm1 7.882 ppm2 4.167
ASSI { 1}
(( segid " B" and resid 32 and name HA1 ))
(( segid " B" and resid 32 and name HN ))
2.875 0.575 0.575 peak 1 weight 1.00000E+00 volume 6.48350E+06 ppm1 7.882 ppm2 4.167
ASSI { 11}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 18 and name HN ))
3.063 0.613 0.613 peak 11 weight 1.00000E+00 volume 4.42973E+06 ppm1 8.200 ppm2 4.399
ASSI { 11}
(( segid " B" and resid 18 and name HA ))
(( segid " B" and resid 18 and name HN ))
3.063 0.613 0.613 peak 11 weight 1.00000E+00 volume 4.42973E+06 ppm1 8.200 ppm2 4.399
ASSI { 123}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 9 and name HN ))
3.384 0.677 0.677 peak 123 weight 1.00000E+00 volume 2.43553E+06 ppm1 8.645 ppm2 7.914
ASSI { 123}
(( segid " B" and resid 8 and name HN ))
(( segid " B" and resid 9 and name HN ))
3.384 0.677 0.677 peak 123 weight 1.00000E+00 volume 2.43553E+06 ppm1 8.645 ppm2 7.914
ASSI { 88}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 19 and name HN ))
3.586 0.717 0.717 peak 88 weight 1.00000E+00 volume 1.72029E+06 ppm1 7.825 ppm2 8.556
ASSI { 88}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 19 and name HN ))
3.586 0.717 0.717 peak 88 weight 1.00000E+00 volume 1.72029E+06 ppm1 7.825 ppm2 8.556
ASSI { 187}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 29 and name HN ))
5.541 1.108 1.108 peak 187 weight 1.00000E+00 volume -1.26331E+05 ppm1 7.316 ppm2 7.743
ASSI { 187}
(( segid " B" and resid 25 and name HN ))
(( segid " B" and resid 29 and name HN ))
5.541 1.108 1.108 peak 187 weight 1.00000E+00 volume -1.26331E+05 ppm1 7.316 ppm2 7.743
ASSI { 103}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 15 and name HN ))
3.378 0.676 0.676 peak 103 weight 1.00000E+00 volume 2.46061E+06 ppm1 7.842 ppm2 8.281
ASSI { 103}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 15 and name HN ))
3.378 0.676 0.676 peak 103 weight 1.00000E+00 volume 2.46061E+06 ppm1 7.842 ppm2 8.281
ASSI { 74}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 26 and name HN ))
3.167 0.633 0.633 peak 74 weight 1.00000E+00 volume 3.62829E+06 ppm1 7.762 ppm2 7.966
ASSI { 74}
(( segid " B" and resid 25 and name HN ))
(( segid " B" and resid 26 and name HN ))
3.167 0.633 0.633 peak 74 weight 1.00000E+00 volume 3.62829E+06 ppm1 7.762 ppm2 7.966
ASSI { 68}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 27 and name HB2 ))
3.354 0.671 0.671 peak 68 weight 1.00000E+00 volume 2.56814E+06 ppm1 8.461 ppm2 1.348
ASSI { 68}
(( segid " B" and resid 27 and name HN ))
(( segid " B" and resid 27 and name HB2 ))
3.354 0.671 0.671 peak 68 weight 1.00000E+00 volume 2.56814E+06 ppm1 8.461 ppm2 1.348
!10HN
ASSI { 65}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 27 and name HB2 ))
2.775 0.555 0.555 peak 65 weight 1.00000E+00 volume 8.01171E+06 ppm1 9.027 ppm2 1.823
ASSI { 65}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 27 and name HB2 ))
2.775 0.555 0.555 peak 65 weight 1.00000E+00 volume 8.01171E+06 ppm1 9.027 ppm2 1.823
!28HB1
ASSI { 148}
(( segid " A" and resid 33 and name HA ))
(( segid " A" and resid 33 and name HN ))
3.048 0.610 0.610 peak 148 weight 1.00000E+00 volume 4.55774E+06 ppm1 7.810 ppm2 4.184
ASSI { 148}
(( segid " B" and resid 33 and name HA ))
(( segid " B" and resid 33 and name HN ))
3.048 0.610 0.610 peak 148 weight 1.00000E+00 volume 4.55774E+06 ppm1 7.810 ppm2 4.184
ASSI { 133}
(( segid " B" and resid 4 and name HN ))
(( segid " B" and resid 4 and name HB2 ))
2.937 0.587 0.587 peak 133 weight 1.00000E+00 volume 5.69412E+06 ppm1 8.186 ppm2 1.799
ASSI { 133}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HB2 ))
2.937 0.587 0.587 peak 133 weight 1.00000E+00 volume 5.69412E+06 ppm1 8.186 ppm2 1.799
ASSI { 13}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HN ))
2.941 0.588 0.588 peak 13 weight 1.00000E+00 volume 5.65785E+06 ppm1 8.282 ppm2 4.184
ASSI { 13}
(( segid " B" and resid 16 and name HA ))
(( segid " B" and resid 16 and name HN ))
2.941 0.588 0.588 peak 13 weight 1.00000E+00 volume 5.65785E+06 ppm1 8.282 ppm2 4.184
ASSI { 49}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HA ))
3.565 0.713 0.713 peak 49 weight 1.00000E+00 volume 1.78101E+06 ppm1 8.445 ppm2 3.445
ASSI { 49}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 10 and name HA ))
3.565 0.713 0.713 peak 49 weight 1.00000E+00 volume 1.78101E+06 ppm1 8.445 ppm2 3.445
! ASSI { 125}
! (( segid " A" and resid 12 and name HN ))
! (( segid " A" and resid 8 and name HN ))
! 4.338 0.868 0.868 peak 125 weight 1.00000E+00 volume -5.48899E+05 ppm1 8.643 ppm2 8.191
ASSI { 190}
(( segid " A" and resid 32 and name HN ))
(( segid " A" and resid 30 and name HN ))
3.917 0.783 0.783 peak 190 weight 1.00000E+00 volume -1.01256E+06 ppm1 7.883 ppm2 7.458
ASSI { 190}
(( segid " B" and resid 32 and name HN ))
(( segid " B" and resid 30 and name HN ))
3.917 0.783 0.783 peak 190 weight 1.00000E+00 volume -1.01256E+06 ppm1 7.883 ppm2 7.458
ASSI { 164}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HA ))
4.059 0.812 0.812 peak 164 weight 1.00000E+00 volume 8.18319E+05 ppm1 8.439 ppm2 4.193
ASSI { 164}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 9 and name HA ))
4.059 0.812 0.812 peak 164 weight 1.00000E+00 volume 8.18319E+05 ppm1 8.439 ppm2 4.193
!11HA
ASSI { 172}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 13 and name HN ))
3.503 0.701 0.701 peak 172 weight 1.00000E+00 volume 1.97849E+06 ppm1 8.662 ppm2 8.199
ASSI { 172}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 13 and name HN ))
3.503 0.701 0.701 peak 172 weight 1.00000E+00 volume 1.97849E+06 ppm1 8.662 ppm2 8.199
ASSI { 175}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 15 and name HN ))
3.471 0.694 0.694 peak 175 weight 1.00000E+00 volume 2.09053E+06 ppm1 8.279 ppm2 7.834
ASSI { 175}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 15 and name HN ))
3.471 0.694 0.694 peak 175 weight 1.00000E+00 volume 2.09053E+06 ppm1 8.279 ppm2 7.834
ASSI { 113}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 13 and name HN ))
3.408 0.682 0.682 peak 113 weight 1.00000E+00 volume 2.33381E+06 ppm1 8.182 ppm2 8.658
ASSI { 113}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 13 and name HN ))
3.408 0.682 0.682 peak 113 weight 1.00000E+00 volume 2.33381E+06 ppm1 8.182 ppm2 8.658
ASSI { 2}
(( segid " B" and resid 32 and name HA2 ))
(( segid " B" and resid 32 and name HN ))
3.010 0.602 0.602 peak 2 weight 1.00000E+00 volume 4.91997E+06 ppm1 7.882 ppm2 3.889
ASSI { 2}
(( segid " A" and resid 32 and name HA2 ))
(( segid " A" and resid 32 and name HN ))
3.010 0.602 0.602 peak 2 weight 1.00000E+00 volume 4.91997E+06 ppm1 7.882 ppm2 3.889
ASSI { 153}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HB2 ))
3.723 0.745 0.745 peak 153 weight 1.00000E+00 volume 1.37245E+06 ppm1 8.195 ppm2 2.796
ASSI { 153}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 17 and name HB2 ))
3.723 0.745 0.745 peak 153 weight 1.00000E+00 volume 1.37245E+06 ppm1 8.195 ppm2 2.796
!18HB2
ASSI { 83}
(( segid " B" and resid 21 and name HG1 ))
(( segid " B" and resid 21 and name HN ))
2.845 0.569 0.569 peak 83 weight 1.00000E+00 volume 6.90044E+06 ppm1 8.878 ppm2 2.182
ASSI { 83}
(( segid " A" and resid 21 and name HG1 ))
(( segid " A" and resid 21 and name HN ))
2.845 0.569 0.569 peak 83 weight 1.00000E+00 volume 6.90044E+06 ppm1 8.878 ppm2 2.182
!17HN
ASSI { 50}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HB ))
2.851 0.570 0.570 peak 50 weight 1.00000E+00 volume 6.80928E+06 ppm1 8.445 ppm2 2.265
ASSI { 50}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 10 and name HB ))
2.851 0.570 0.570 peak 50 weight 1.00000E+00 volume 6.80928E+06 ppm1 8.445 ppm2 2.265
! ASSI { 78}
! (( segid " B" and resid 27 and name HN ))
! (( segid " B" and resid 24 and name HN ))
! 3.382 0.676 0.676 peak 78 weight 1.00000E+00 volume -2.44634E+06 ppm1 8.723 ppm2 8.465
ASSI { 39}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 20 and name HG ))
3.119 0.624 0.624 peak 39 weight 1.00000E+00 volume 3.97084E+06 ppm1 8.563 ppm2 2.078
ASSI { 39}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 20 and name HG ))
3.119 0.624 0.624 peak 39 weight 1.00000E+00 volume 3.97084E+06 ppm1 8.563 ppm2 2.078
ASSI { 115}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HG1 ))
2.992 0.598 0.598 peak 115 weight 1.00000E+00 volume 5.09373E+06 ppm1 7.783 ppm2 2.182
ASSI { 115}
(( segid " B" and resid 11 and name HN ))
(( segid " B" and resid 11 and name HG1 ))
2.992 0.598 0.598 peak 115 weight 1.00000E+00 volume 5.09373E+06 ppm1 7.783 ppm2 2.182
ASSI { 35}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 22 and name HB1 ))
3.007 0.601 0.601 peak 35 weight 1.00000E+00 volume 4.94541E+06 ppm1 7.759 ppm2 2.848
ASSI { 35}
(( segid " B" and resid 22 and name HN ))
(( segid " B" and resid 22 and name HB1 ))
3.007 0.601 0.601 peak 35 weight 1.00000E+00 volume 4.94541E+06 ppm1 7.759 ppm2 2.848
ASSI { 146}
(( segid " B" and resid 27 and name HN ))
(( segid " B" and resid 27 and name HG ))
3.065 0.613 0.613 peak 146 weight 1.00000E+00 volume 4.41208E+06 ppm1 8.457 ppm2 1.677
ASSI { 146}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 27 and name HG ))
3.065 0.613 0.613 peak 146 weight 1.00000E+00 volume 4.41208E+06 ppm1 8.457 ppm2 1.677
!10HN
ASSI { 167}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 4 and name HN ))
3.424 0.685 0.685 peak 167 weight 1.00000E+00 volume 2.27133E+06 ppm1 7.737 ppm2 8.195
ASSI { 167}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 4 and name HN ))
3.424 0.685 0.685 peak 167 weight 1.00000E+00 volume 2.27133E+06 ppm1 7.737 ppm2 8.195
ASSI { 130}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 5 and name HN ))
2.411 0.482 0.482 peak 130 weight 1.00000E+00 volume 1.86387E+07 ppm1 7.734 ppm2 7.813
ASSI { 130}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 5 and name HN ))
2.411 0.482 0.482 peak 130 weight 1.00000E+00 volume 1.86387E+07 ppm1 7.734 ppm2 7.813
ASSI { 40}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HB2 ))
2.715 0.543 0.543 peak 40 weight 1.00000E+00 volume 9.12988E+06 ppm1 7.829 ppm2 3.325
ASSI { 40}
(( segid " B" and resid 19 and name HN ))
(( segid " B" and resid 19 and name HB2 ))
2.715 0.543 0.543 peak 40 weight 1.00000E+00 volume 9.12988E+06 ppm1 7.829 ppm2 3.325
ASSI { 52}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HG1 ))
3.295 0.659 0.659 peak 52 weight 1.00000E+00 volume 2.86019E+06 ppm1 8.678 ppm2 2.524
ASSI { 52}
(( segid " B" and resid 7 and name HN ))
(( segid " B" and resid 7 and name HG1 ))
3.295 0.659 0.659 peak 52 weight 1.00000E+00 volume 2.86019E+06 ppm1 8.678 ppm2 2.524
ASSI { 117}
(( segid " A" and resid 10 and name HN ))
( segid " A" and resid 10 and name HG2#)
2.918 0.584 0.584 peak 117 weight 1.00000E+00 volume 5.93021E+06 ppm1 8.441 ppm2 1.066
ASSI { 117}
(( segid " B" and resid 10 and name HN ))
( segid " B" and resid 10 and name HG2#)
2.918 0.584 0.584 peak 117 weight 1.00000E+00 volume 5.93021E+06 ppm1 8.441 ppm2 1.066
! ASSI { 124}
! (( segid " B" and resid 7 and name HG1 ))
! (( segid " B" and resid 11 and name HB2 ))
! 3.341 0.668 0.668 peak 124 weight 1.00000E+00 volume 2.62839E+06 ppm1 8.645 ppm2 2.102
ASSI { 17}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 12 and name HN ))
2.978 0.596 0.596 peak 17 weight 1.00000E+00 volume 5.24071E+06 ppm1 8.184 ppm2 4.170
ASSI { 17}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HN ))
2.978 0.596 0.596 peak 17 weight 1.00000E+00 volume 5.24071E+06 ppm1 8.184 ppm2 4.170
ASSI { 36}
(( segid " B" and resid 21 and name HA ))
(( segid " B" and resid 21 and name HN ))
3.376 0.675 0.675 peak 36 weight 1.00000E+00 volume 2.47053E+06 ppm1 8.878 ppm2 3.942
ASSI { 36}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 21 and name HN ))
3.376 0.675 0.675 peak 36 weight 1.00000E+00 volume 2.47053E+06 ppm1 8.878 ppm2 3.942
!17HN
ASSI { 32}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 24 and name HB ))
2.809 0.562 0.562 peak 32 weight 1.00000E+00 volume 7.44441E+06 ppm1 8.718 ppm2 2.110
ASSI { 32}
(( segid " B" and resid 24 and name HN ))
(( segid " B" and resid 24 and name HB ))
2.809 0.562 0.562 peak 32 weight 1.00000E+00 volume 7.44441E+06 ppm1 8.718 ppm2 2.110
ASSI { 61}
(( segid " B" and resid 31 and name HN ))
(( segid " B" and resid 30 and name HN ))
3.070 0.614 0.614 peak 61 weight 1.00000E+00 volume 4.36989E+06 ppm1 7.447 ppm2 7.659
ASSI { 61}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 30 and name HN ))
3.070 0.614 0.614 peak 61 weight 1.00000E+00 volume 4.36989E+06 ppm1 7.447 ppm2 7.659
ASSI { 147}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 28 and name HG1 ))
3.490 0.698 0.698 peak 147 weight 1.00000E+00 volume 2.02414E+06 ppm1 9.026 ppm2 1.351
ASSI { 147}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 28 and name HG1 ))
3.490 0.698 0.698 peak 147 weight 1.00000E+00 volume 2.02414E+06 ppm1 9.026 ppm2 1.351
ASSI { 132}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HB1 ))
4.266 0.853 0.853 peak 132 weight 1.00000E+00 volume 6.06738E+05 ppm1 8.184 ppm2 1.446
ASSI { 132}
(( segid " B" and resid 4 and name HN ))
(( segid " B" and resid 4 and name HB1 ))
4.266 0.853 0.853 peak 132 weight 1.00000E+00 volume 6.06738E+05 ppm1 8.184 ppm2 1.446
ASSI { 64}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 29 and name HN ))
2.563 0.513 0.513 peak 64 weight 1.00000E+00 volume 1.29066E+07 ppm1 7.314 ppm2 7.424
ASSI { 64}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 29 and name HN ))
2.563 0.513 0.513 peak 64 weight 1.00000E+00 volume 1.29066E+07 ppm1 7.314 ppm2 7.424
ASSI { 46}
(( segid " A" and resid 14 and name HN ))
( segid " B" and resid 13 and name HD1#)
3.066 0.613 0.613 peak 46 weight 1.00000E+00 volume 4.40416E+06 ppm1 9.073 ppm2 0.937
ASSI { 46}
(( segid " B" and resid 14 and name HN ))
( segid " A" and resid 13 and name HD1#)
3.066 0.613 0.613 peak 46 weight 1.00000E+00 volume 4.40416E+06 ppm1 9.073 ppm2 0.937
!14HD1#
ASSI { 143}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HB2 ))
2.628 0.526 0.526 peak 143 weight 1.00000E+00 volume 1.11048E+07 ppm1 8.182 ppm2 2.264
ASSI { 143}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 12 and name HB2 ))
2.628 0.526 0.526 peak 143 weight 1.00000E+00 volume 1.11048E+07 ppm1 8.182 ppm2 2.264
ASSI { 33}
(( segid " B" and resid 23 and name HA ))
(( segid " B" and resid 23 and name HN ))
3.243 0.649 0.649 peak 33 weight 1.00000E+00 volume 3.14482E+06 ppm1 8.139 ppm2 4.474
ASSI { 33}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 23 and name HN ))
3.243 0.649 0.649 peak 33 weight 1.00000E+00 volume 3.14482E+06 ppm1 8.139 ppm2 4.474
ASSI { 54}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HB1 ))
2.655 0.531 0.531 peak 54 weight 1.00000E+00 volume 1.04333E+07 ppm1 7.731 ppm2 2.265
ASSI { 54}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 5 and name HB1 ))
2.655 0.531 0.531 peak 54 weight 1.00000E+00 volume 1.04333E+07 ppm1 7.731 ppm2 2.265
ASSI { 53}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HG2 ))
2.779 0.556 0.556 peak 53 weight 1.00000E+00 volume 7.93613E+06 ppm1 8.671 ppm2 2.083
ASSI { 53}
(( segid " B" and resid 7 and name HN ))
(( segid " B" and resid 7 and name HG2 ))
2.779 0.556 0.556 peak 53 weight 1.00000E+00 volume 7.93613E+06 ppm1 8.671 ppm2 2.083
!13HN
ASSI { 118}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 11 and name HN ))
3.536 0.707 0.707 peak 118 weight 1.00000E+00 volume 1.87097E+06 ppm1 8.439 ppm2 7.776
ASSI { 118}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 11 and name HN ))
3.536 0.707 0.707 peak 118 weight 1.00000E+00 volume 1.87097E+06 ppm1 8.439 ppm2 7.776
ASSI { 91}
(( segid " B" and resid 19 and name HN ))
(( segid " B" and resid 18 and name HN ))
3.375 0.675 0.675 peak 91 weight 1.00000E+00 volume 2.47323E+06 ppm1 8.200 ppm2 7.832
ASSI { 91}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 18 and name HN ))
3.375 0.675 0.675 peak 91 weight 1.00000E+00 volume 2.47323E+06 ppm1 8.200 ppm2 7.832
ASSI { 57}
(( segid " B" and resid 9 and name HA ))
(( segid " B" and resid 9 and name HN ))
3.105 0.621 0.621 peak 57 weight 1.00000E+00 volume 4.08523E+06 ppm1 7.914 ppm2 4.213
ASSI { 57}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HN ))
3.105 0.621 0.621 peak 57 weight 1.00000E+00 volume 4.08523E+06 ppm1 7.914 ppm2 4.213
! ASSI { 84}
! (( segid " A" and resid 21 and name HN ))
! (( segid " A" and resid 17 and name HN ))
! 3.561 0.712 0.712 peak 84 weight 1.00000E+00 volume 1.79490E+06 ppm1 8.878 ppm2 7.744
!17HN
ASSI { 27}
( segid " B" and resid 31 and name HN )
( segid " B" and resid 31 and name HG23)
2.798 0.560 0.560 peak 27 weight 1.00000E+00 volume 7.62548E+06 ppm1 7.698 ppm2 0.986
ASSI { 27}
( segid " A" and resid 31 and name HN )
( segid " A" and resid 31 and name HG23)
2.798 0.560 0.560 peak 27 weight 1.00000E+00 volume 7.62548E+06 ppm1 7.698 ppm2 0.986
ASSI { 63}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 29 and name HB2 ))
3.208 0.642 0.642 peak 63 weight 1.00000E+00 volume 3.35733E+06 ppm1 7.316 ppm2 1.725
ASSI { 63}
(( segid " B" and resid 29 and name HN ))
(( segid " B" and resid 29 and name HB2 ))
3.208 0.642 0.642 peak 63 weight 1.00000E+00 volume 3.35733E+06 ppm1 7.316 ppm2 1.725
ASSI { 180}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 21 and name HN ))
3.550 0.710 0.710 peak 180 weight 1.00000E+00 volume 1.82862E+06 ppm1 7.752 ppm2 8.883
ASSI { 180}
(( segid " B" and resid 22 and name HN ))
(( segid " B" and resid 21 and name HN ))
3.550 0.710 0.710 peak 180 weight 1.00000E+00 volume 1.82862E+06 ppm1 7.752 ppm2 8.883
ASSI { 99}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 16 and name HB2 ))
3.365 0.673 0.673 peak 99 weight 1.00000E+00 volume 2.51729E+06 ppm1 8.280 ppm2 1.713
ASSI { 99}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 16 and name HB2 ))
3.365 0.673 0.673 peak 99 weight 1.00000E+00 volume 2.51729E+06 ppm1 8.280 ppm2 1.713
ASSI { 92}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HA ))
3.587 0.717 0.717 peak 92 weight 1.00000E+00 volume 1.71763E+06 ppm1 8.833 ppm2 4.387
ASSI { 92}
(( segid " B" and resid 17 and name HN ))
(( segid " B" and resid 17 and name HA ))
3.587 0.717 0.717 peak 92 weight 1.00000E+00 volume 1.71763E+06 ppm1 8.833 ppm2 4.387
ASSI { 70}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 26 and name HN ))
3.183 0.637 0.637 peak 70 weight 1.00000E+00 volume 3.51908E+06 ppm1 7.953 ppm2 3.994
ASSI { 70}
(( segid " B" and resid 26 and name HA ))
(( segid " B" and resid 26 and name HN ))
3.183 0.637 0.637 peak 70 weight 1.00000E+00 volume 3.51908E+06 ppm1 7.953 ppm2 3.994
ASSI { 34}
(( segid " B" and resid 23 and name HN ))
(( segid " B" and resid 23 and name HB2 ))
2.746 0.549 0.549 peak 34 weight 1.00000E+00 volume 8.53102E+06 ppm1 8.139 ppm2 2.110
ASSI { 34}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HB2 ))
2.746 0.549 0.549 peak 34 weight 1.00000E+00 volume 8.53102E+06 ppm1 8.139 ppm2 2.110
ASSI { 28}
(( segid " B" and resid 30 and name HA ))
(( segid " B" and resid 30 and name HN ))
3.160 0.632 0.632 peak 28 weight 1.00000E+00 volume 3.67268E+06 ppm1 7.449 ppm2 4.204
ASSI { 28}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 30 and name HN ))
3.160 0.632 0.632 peak 28 weight 1.00000E+00 volume 3.67268E+06 ppm1 7.449 ppm2 4.204
ASSI { 101}
(( segid " B" and resid 15 and name HA ))
(( segid " B" and resid 15 and name HN ))
2.805 0.561 0.561 peak 101 weight 1.00000E+00 volume 7.50959E+06 ppm1 7.844 ppm2 4.092
ASSI { 101}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 15 and name HN ))
2.805 0.561 0.561 peak 101 weight 1.00000E+00 volume 7.50959E+06 ppm1 7.844 ppm2 4.092
ASSI { 6}
(( segid " B" and resid 25 and name HA ))
(( segid " B" and resid 25 and name HN ))
3.194 0.639 0.639 peak 6 weight 1.00000E+00 volume 3.44271E+06 ppm1 7.763 ppm2 4.032
ASSI { 6}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 25 and name HN ))
3.194 0.639 0.639 peak 6 weight 1.00000E+00 volume 3.44271E+06 ppm1 7.763 ppm2 4.032
ASSI { 121}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HN ))
3.412 0.682 0.682 peak 121 weight 1.00000E+00 volume 2.31881E+06 ppm1 7.915 ppm2 8.461
ASSI { 121}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 9 and name HN ))
3.412 0.682 0.682 peak 121 weight 1.00000E+00 volume 2.31881E+06 ppm1 7.915 ppm2 8.461
ASSI { 184}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 9 and name HN ))
3.417 0.683 0.683 peak 184 weight 1.00000E+00 volume 2.29662E+06 ppm1 8.458 ppm2 7.977
ASSI { 184}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HN ))
3.417 0.683 0.683 peak 184 weight 1.00000E+00 volume 2.29662E+06 ppm1 8.458 ppm2 7.977
ASSI { 10}
(( segid " B" and resid 19 and name HA ))
(( segid " B" and resid 19 and name HN ))
3.129 0.626 0.626 peak 10 weight 1.00000E+00 volume 3.89906E+06 ppm1 7.833 ppm2 4.366
ASSI { 10}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name HN ))
3.129 0.626 0.626 peak 10 weight 1.00000E+00 volume 3.89906E+06 ppm1 7.833 ppm2 4.366
ASSI { 156}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HB2 ))
2.980 0.596 0.596 peak 156 weight 1.00000E+00 volume 5.21790E+06 ppm1 7.450 ppm2 1.909
ASSI { 156}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 30 and name HB2 ))
2.980 0.596 0.596 peak 156 weight 1.00000E+00 volume 5.21790E+06 ppm1 7.450 ppm2 1.909
ASSI { 80}
(( segid " B" and resid 22 and name HN ))
(( segid " B" and resid 23 and name HN ))
3.454 0.991 0.991 peak 80 weight 1.00000E+00 volume 2.15575E+06 ppm1 8.135 ppm2 7.743
ASSI { 80}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 23 and name HN ))
3.454 0.991 0.991 peak 80 weight 1.00000E+00 volume 2.15575E+06 ppm1 8.135 ppm2 7.743
ASSI { 56}
(( segid " B" and resid 28 and name HA ))
(( segid " B" and resid 28 and name HN ))
3.557 0.711 0.711 peak 56 weight 1.00000E+00 volume 1.80524E+06 ppm1 9.027 ppm2 3.818
ASSI { 56}
(( segid " A" and resid 28 and name HA ))
(( segid " A" and resid 28 and name HN ))
3.557 0.711 0.711 peak 56 weight 1.00000E+00 volume 1.80524E+06 ppm1 9.027 ppm2 3.818
ASSI { 111}
(( segid " B" and resid 13 and name HN ))
(( segid " B" and resid 13 and name HA ))
3.179 0.636 0.636 peak 111 weight 1.00000E+00 volume 3.54685E+06 ppm1 8.661 ppm2 4.044
ASSI { 111}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HA ))
3.179 0.636 0.636 peak 111 weight 1.00000E+00 volume 3.54685E+06 ppm1 8.661 ppm2 4.044
ASSI { 67}
(( segid " B" and resid 27 and name HN ))
(( segid " B" and resid 27 and name HB1 ))
3.043 0.609 0.609 peak 67 weight 1.00000E+00 volume 4.60550E+06 ppm1 8.459 ppm2 1.930
ASSI { 67}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 27 and name HB1 ))
3.043 0.609 0.609 peak 67 weight 1.00000E+00 volume 4.60550E+06 ppm1 8.459 ppm2 1.930
!10HN
ASSI { 82}
(( segid " B" and resid 21 and name HB2 ))
(( segid " B" and resid 21 and name HN ))
2.845 0.569 0.569 peak 82 weight 1.00000E+00 volume 6.90044E+06 ppm1 8.880 ppm2 2.184
ASSI { 82}
(( segid " A" and resid 21 and name HB2 ))
(( segid " A" and resid 21 and name HN ))
2.845 0.569 0.569 peak 82 weight 1.00000E+00 volume 6.90044E+06 ppm1 8.880 ppm2 2.184
!17HN
ASSI { 20}
(( segid " B" and resid 8 and name HA ))
(( segid " B" and resid 8 and name HN ))
3.387 0.677 0.677 peak 20 weight 1.00000E+00 volume 2.42363E+06 ppm1 8.641 ppm2 4.408
ASSI { 20}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HN ))
3.387 0.677 0.677 peak 20 weight 1.00000E+00 volume 2.42363E+06 ppm1 8.641 ppm2 4.408
ASSI { 174}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 15 and name HN ))
3.454 0.691 0.691 peak 174 weight 1.00000E+00 volume 2.15367E+06 ppm1 7.844 ppm2 9.079
ASSI { 174}
(( segid " B" and resid 14 and name HN ))
(( segid " B" and resid 15 and name HN ))
3.454 0.691 0.691 peak 174 weight 1.00000E+00 volume 2.15367E+06 ppm1 7.844 ppm2 9.079
ASSI { 161}
( segid " B" and resid 1 and name HT# )
(( segid " B" and resid 1 and name HA2 ))
3.162 0.632 0.632 peak 161 weight 1.00000E+00 volume 3.65689E+06 ppm1 7.695 ppm2 4.186
ASSI { 161}
( segid " A" and resid 1 and name HT# )
(( segid " A" and resid 1 and name HA2 ))
3.162 0.632 0.632 peak 161 weight 1.00000E+00 volume 3.65689E+06 ppm1 7.695 ppm2 4.186
ASSI { 112}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HB1 ))
3.799 0.760 0.760 peak 112 weight 1.00000E+00 volume 1.21591E+06 ppm1 8.659 ppm2 1.284
ASSI { 112}
(( segid " B" and resid 13 and name HN ))
(( segid " B" and resid 13 and name HB1 ))
3.799 0.760 0.760 peak 112 weight 1.00000E+00 volume 1.21591E+06 ppm1 8.659 ppm2 1.284
ASSI { 72}
(( segid " A" and resid 26 and name HG1 ))
(( segid " A" and resid 26 and name HN ))
3.101 0.620 0.620 peak 72 weight 1.00000E+00 volume 4.11225E+06 ppm1 7.951 ppm2 2.174
ASSI { 72}
(( segid " B" and resid 26 and name HG1 ))
(( segid " B" and resid 26 and name HN ))
3.101 0.620 0.620 peak 72 weight 1.00000E+00 volume 4.11225E+06 ppm1 7.951 ppm2 2.174
ASSI { 8}
(( segid " B" and resid 22 and name HA ))
(( segid " B" and resid 22 and name HN ))
3.113 0.623 0.623 peak 8 weight 1.00000E+00 volume 4.02226E+06 ppm1 7.755 ppm2 4.446
ASSI { 8}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 22 and name HN ))
3.113 0.623 0.623 peak 8 weight 1.00000E+00 volume 4.02226E+06 ppm1 7.755 ppm2 4.446
ASSI { 104}
(( segid " B" and resid 17 and name HN ))
(( segid " B" and resid 15 and name HN ))
4.799 0.960 0.960 peak 104 weight 1.00000E+00 volume -2.99487E+05 ppm1 7.844 ppm2 8.831
ASSI { 104}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 15 and name HN ))
4.799 0.960 0.960 peak 104 weight 1.00000E+00 volume -2.99487E+05 ppm1 7.844 ppm2 8.831
ASSI { 22}
(( segid " B" and resid 6 and name HA ))
(( segid " B" and resid 6 and name HN ))
3.141 0.628 0.628 peak 22 weight 1.00000E+00 volume 3.80736E+06 ppm1 7.837 ppm2 4.197
ASSI { 22}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HN ))
3.141 0.628 0.628 peak 22 weight 1.00000E+00 volume 3.80736E+06 ppm1 7.837 ppm2 4.197
! ASSI { 189}
! (( segid " B" and resid 32 and name HN ))
! (( segid " B" and resid 31 and name HN ))
! 4.003 0.801 0.801 peak 189 weight 1.00000E+00 volume 8.88925E+05 ppm1 7.888 ppm2 7.651
ASSI { 171}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 11 and name HN ))
3.410 0.682 0.682 peak 171 weight 1.00000E+00 volume 2.32812E+06 ppm1 8.182 ppm2 7.744
ASSI { 171}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 11 and name HN ))
3.410 0.682 0.682 peak 171 weight 1.00000E+00 volume 2.32812E+06 ppm1 8.182 ppm2 7.744
ASSI { 144}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HG ))
3.491 0.698 0.698 peak 144 weight 1.00000E+00 volume 2.02044E+06 ppm1 8.664 ppm2 1.783
ASSI { 144}
(( segid " B" and resid 13 and name HN ))
(( segid " B" and resid 13 and name HG ))
3.491 0.698 0.698 peak 144 weight 1.00000E+00 volume 2.02044E+06 ppm1 8.664 ppm2 1.783
ASSI { 151}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 16 and name HG1 ))
4.226 0.845 0.845 peak 151 weight 1.00000E+00 volume 6.42349E+05 ppm1 8.281 ppm2 1.536
ASSI { 151}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 16 and name HG1 ))
4.226 0.845 0.845 peak 151 weight 1.00000E+00 volume 6.42349E+05 ppm1 8.281 ppm2 1.536
ASSI { 55}
(( segid " B" and resid 29 and name HA ))
(( segid " B" and resid 29 and name HN ))
3.260 0.652 0.652 peak 55 weight 1.00000E+00 volume 3.04673E+06 ppm1 7.315 ppm2 4.182
ASSI { 55}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 29 and name HN ))
3.260 0.652 0.652 peak 55 weight 1.00000E+00 volume 3.04673E+06 ppm1 7.315 ppm2 4.182
ASSI { 412}
(( segid " B" and resid 13 and name HB1 ))
(( segid " B" and resid 13 and name HG ))
3.888 0.778 0.778 peak 412 weight 1.00000E+00 volume 1.31076E+06 ppm1 1.791 ppm2 1.285
ASSI { 412}
(( segid " A" and resid 13 and name HB1 ))
(( segid " A" and resid 13 and name HG ))
3.888 0.778 0.778 peak 412 weight 1.00000E+00 volume 1.31076E+06 ppm1 1.791 ppm2 1.285
ASSI { 11}
(( segid " A" and resid 31 and name HA ))
( segid " A" and resid 31 and name HG11)
3.941 0.788 0.788 peak 11 weight 1.00000E+00 volume 1.20827E+06 ppm1 0.989 ppm2 4.159
ASSI { 11}
(( segid " B" and resid 31 and name HA ))
( segid " B" and resid 31 and name HG11)
3.941 0.788 0.788 peak 11 weight 1.00000E+00 volume 1.20827E+06 ppm1 0.989 ppm2 4.159
ASSI { 438}
(( segid " A" and resid 4 and name HD1 ))
(( segid " A" and resid 4 and name HG2 ))
3.645 0.729 0.729 peak 438 weight 1.00000E+00 volume 1.93308E+06 ppm1 0.919 ppm2 1.637
ASSI { 438}
(( segid " B" and resid 4 and name HD1 ))
(( segid " B" and resid 4 and name HG2 ))
3.645 0.729 0.729 peak 438 weight 1.00000E+00 volume 1.93308E+06 ppm1 0.919 ppm2 1.637
ASSI { 388}
(( segid " A" and resid 3 and name HA ))
(( segid " B" and resid 3 and name HG1 ))
4.101 0.820 0.820 peak 388 weight 1.00000E+00 volume 9.52111E+05 ppm1 2.097 ppm2 4.192
ASSI { 388}
(( segid " B" and resid 3 and name HA ))
(( segid " A" and resid 3 and name HG1 ))
4.101 0.820 0.820 peak 388 weight 1.00000E+00 volume 9.52111E+05 ppm1 2.097 ppm2 4.192
!switch
! ASSI { 153}
! (( segid " A" and resid 30 and name HA ))
! (( segid " A" and resid 30 and name HB1 ))
! 4.212 0.842 0.842 peak 153 weight 1.00000E+00 volume 8.11116E+05 ppm1 4.197 ppm2 1.580
ASSI { 14}
(( segid " B" and resid 30 and name HA ))
( segid " B" and resid 30 and name HD1#)
3.840 0.768 0.768 peak 14 weight 1.00000E+00 volume 1.41323E+06 ppm1 4.201 ppm2 0.860
ASSI { 14}
(( segid " A" and resid 30 and name HA ))
( segid " A" and resid 30 and name HD1#)
3.840 0.768 0.768 peak 14 weight 1.00000E+00 volume 1.41323E+06 ppm1 4.201 ppm2 0.860
ASSI { 65}
(( segid " A" and resid 20 and name HA ))
( segid " A" and resid 20 and name HD21)
3.333 0.667 0.667 peak 65 weight 1.00000E+00 volume 3.30132E+06 ppm1 3.949 ppm2 0.882
ASSI { 65}
(( segid " B" and resid 20 and name HA ))
( segid " B" and resid 20 and name HD21)
3.333 0.667 0.667 peak 65 weight 1.00000E+00 volume 3.30132E+06 ppm1 3.949 ppm2 0.882
! ASSI { 78}
! (( segid " A" and resid 17 and name HB1 ))
! (( segid " B" and resid 17 and name HB2 ))
! 4.006 0.801 0.801 peak 78 weight 1.00000E+00 volume 1.09596E+06 ppm1 2.760 ppm2 3.260
!switch
ASSI { 94}
(( segid " A" and resid 6 and name HA ))
( segid " A" and resid 6 and name HD21)
3.889 0.778 0.778 peak 94 weight 1.00000E+00 volume 1.30848E+06 ppm1 0.925 ppm2 4.191
ASSI { 94}
(( segid " B" and resid 6 and name HA ))
( segid " B" and resid 6 and name HD21)
3.889 0.778 0.778 peak 94 weight 1.00000E+00 volume 1.30848E+06 ppm1 0.925 ppm2 4.191
ASSI { 414}
(( segid " A" and resid 13 and name HB1 ))
(( segid " B" and resid 13 and name HG ))
5.015 1.003 1.003 peak 414 weight 1.00000E+00 volume 2.84645E+05 ppm1 1.280 ppm2 1.828
ASSI { 414}
(( segid " B" and resid 13 and name HB1 ))
(( segid " A" and resid 13 and name HG ))
5.015 1.003 1.003 peak 414 weight 1.00000E+00 volume 2.84645E+05 ppm1 1.280 ppm2 1.828
ASSI { 67}
( segid " B" and resid 20 and name HD21)
(( segid " B" and resid 20 and name HB1 ))
3.802 0.760 0.760 peak 67 weight 1.00000E+00 volume 1.50058E+06 ppm1 1.316 ppm2 0.883
ASSI { 67}
( segid " A" and resid 20 and name HD21)
(( segid " A" and resid 20 and name HB1 ))
3.802 0.760 0.760 peak 67 weight 1.00000E+00 volume 1.50058E+06 ppm1 1.316 ppm2 0.883
ASSI { 179}
(( segid " A" and resid 32 and name HN ))
(( segid " A" and resid 31 and name HA ))
5.077 1.015 1.015 peak 179 weight 1.00000E+00 volume 2.64499E+05 ppm1 4.176 ppm2 7.849
ASSI { 179}
(( segid " B" and resid 32 and name HN ))
(( segid " B" and resid 31 and name HA ))
5.077 1.015 1.015 peak 179 weight 1.00000E+00 volume 2.64499E+05 ppm1 4.176 ppm2 7.849
ASSI { 413}
(( segid " A" and resid 13 and name HB2 ))
(( segid " B" and resid 13 and name HG ))
4.152 0.830 0.830 peak 413 weight 1.00000E+00 volume 8.83829E+05 ppm1 1.791 ppm2 2.019
ASSI { 413}
(( segid " B" and resid 13 and name HB2 ))
(( segid " A" and resid 13 and name HG ))
4.152 0.830 0.830 peak 413 weight 1.00000E+00 volume 8.83829E+05 ppm1 1.791 ppm2 2.019
ASSI { 96}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HD1 ))
4.076 0.815 0.815 peak 96 weight 1.00000E+00 volume 9.87323E+05 ppm1 4.227 ppm2 0.918
ASSI { 96}
(( segid " B" and resid 4 and name HA ))
(( segid " B" and resid 4 and name HD1 ))
4.076 0.815 0.815 peak 96 weight 1.00000E+00 volume 9.87323E+05 ppm1 4.227 ppm2 0.918
ASSI { 201}
(( segid " A" and resid 26 and name HG1 ))
(( segid " A" and resid 26 and name HA ))
3.756 0.751 0.751 peak 201 weight 1.00000E+00 volume 1.61398E+06 ppm1 3.996 ppm2 2.197
ASSI { 201}
(( segid " B" and resid 26 and name HG1 ))
(( segid " B" and resid 26 and name HA ))
3.756 0.751 0.751 peak 201 weight 1.00000E+00 volume 1.61398E+06 ppm1 3.996 ppm2 2.197
ASSI { 52}
(( segid " B" and resid 24 and name HA ))
( segid " B" and resid 24 and name HG1#)
3.698 0.740 0.740 peak 52 weight 1.00000E+00 volume 1.77063E+06 ppm1 0.894 ppm2 3.392
ASSI { 52}
(( segid " A" and resid 24 and name HA ))
( segid " A" and resid 24 and name HG1#)
3.698 0.740 0.740 peak 52 weight 1.00000E+00 volume 1.77063E+06 ppm1 0.894 ppm2 3.392
ASSI { 79}
(( segid " B" and resid 17 and name HA ))
(( segid " A" and resid 17 and name HB1 ))
4.353 0.871 0.871 peak 79 weight 1.00000E+00 volume 6.66243E+05 ppm1 3.265 ppm2 4.380
ASSI { 79}
(( segid " A" and resid 17 and name HA ))
(( segid " B" and resid 17 and name HB1 ))
4.353 0.871 0.871 peak 79 weight 1.00000E+00 volume 6.66243E+05 ppm1 3.265 ppm2 4.380
ASSI { 95}
(( segid " A" and resid 6 and name HB2 ))
( segid " B" and resid 6 and name HD22)
4.268 0.854 0.854 peak 95 weight 1.00000E+00 volume -7.49609E+05 ppm1 0.920 ppm2 1.459
ASSI { 95}
(( segid " B" and resid 6 and name HB2 ))
( segid " A" and resid 6 and name HD22)
4.268 0.854 0.854 peak 95 weight 1.00000E+00 volume -7.49609E+05 ppm1 0.920 ppm2 1.459
ASSI { 208}
(( segid " B" and resid 24 and name HA ))
( segid " A" and resid 24 and name HG2#)
3.667 0.733 0.733 peak 208 weight 1.00000E+00 volume 1.86157E+06 ppm1 3.389 ppm2 0.986
ASSI { 208}
(( segid " A" and resid 24 and name HA ))
( segid " B" and resid 24 and name HG2#)
3.667 0.733 0.733 peak 208 weight 1.00000E+00 volume 1.86157E+06 ppm1 3.389 ppm2 0.986
! ASSI { 502}
! (( segid " A" and resid 2 and name HB1 ))
! (( segid " B" and resid 2 and name HB2 ))
! 3.346 0.669 0.669 peak 502 weight 1.00000E+00 volume 3.22641E+06 ppm1 3.936 ppm2 4.108
ASSI { 32}
(( segid " A" and resid 27 and name HB1 ))
( segid " B" and resid 27 and name HD2#)
4.211 0.842 0.842 peak 32 weight 1.00000E+00 volume 8.12453E+05 ppm1 0.818 ppm2 1.917
ASSI { 32}
(( segid " B" and resid 27 and name HB1 ))
( segid " A" and resid 27 and name HD2#)
4.211 0.842 0.842 peak 32 weight 1.00000E+00 volume 8.12453E+05 ppm1 0.818 ppm2 1.917
ASSI { 132}
(( segid " A" and resid 18 and name HB1 ))
( segid " A" and resid 18 and name HE# )
5.315 1.063 1.063 peak 132 weight 1.00000E+00 volume -2.00896E+05 ppm1 3.194 ppm2 6.841
ASSI { 132}
(( segid " B" and resid 18 and name HB1 ))
( segid " B" and resid 18 and name HE# )
5.315 1.063 1.063 peak 132 weight 1.00000E+00 volume -2.00896E+05 ppm1 3.194 ppm2 6.841
ASSI { 458}
(( segid " B" and resid 14 and name HA ))
( segid " A" and resid 13 and name HD2#)
3.554 0.711 0.711 peak 458 weight 1.00000E+00 volume 2.24886E+06 ppm1 4.065 ppm2 0.823
ASSI { 458}
(( segid " A" and resid 14 and name HA ))
( segid " B" and resid 13 and name HD2#)
3.554 0.711 0.711 peak 458 weight 1.00000E+00 volume 2.24886E+06 ppm1 4.065 ppm2 0.823
ASSI { 210}
(( segid " B" and resid 24 and name HA ))
(( segid " A" and resid 27 and name HB2 ))
5.113 1.023 1.023 peak 210 weight 1.00000E+00 volume 2.53565E+05 ppm1 3.392 ppm2 1.273
ASSI { 210}
(( segid " A" and resid 24 and name HA ))
(( segid " B" and resid 27 and name HB2 ))
5.113 1.023 1.023 peak 210 weight 1.00000E+00 volume 2.53565E+05 ppm1 3.392 ppm2 1.273
ASSI { 211}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 27 and name HB1 ))
4.165 0.833 0.833 peak 211 weight 1.00000E+00 volume 8.67367E+05 ppm1 3.392 ppm2 1.947
ASSI { 211}
(( segid " B" and resid 24 and name HA ))
(( segid " B" and resid 27 and name HB1 ))
4.165 0.833 0.833 peak 211 weight 1.00000E+00 volume 8.67367E+05 ppm1 3.392 ppm2 1.947
ASSI { 255}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 13 and name HA ))
3.949 0.790 0.790 peak 255 weight 1.00000E+00 volume 1.19352E+06 ppm1 4.027 ppm2 1.692
ASSI { 255}
(( segid " B" and resid 16 and name HB2 ))
(( segid " B" and resid 13 and name HA ))
3.949 0.790 0.790 peak 255 weight 1.00000E+00 volume 1.19352E+06 ppm1 4.027 ppm2 1.692
! ASSI { 73}
! (( segid " B" and resid 18 and name HA ))
! (( segid " A" and resid 18 and name HB1 ))
! 4.253 0.851 0.851 peak 73 weight 1.00000E+00 volume 7.65805E+05 ppm1 3.183 ppm2 4.378
ASSI { 46}
(( segid " A" and resid 24 and name HA ))
( segid " A" and resid 24 and name HG1#)
3.304 0.661 0.661 peak 46 weight 1.00000E+00 volume 3.48077E+06 ppm1 3.388 ppm2 0.874
ASSI { 46}
(( segid " B" and resid 24 and name HA ))
( segid " B" and resid 24 and name HG1#)
3.304 0.661 0.661 peak 46 weight 1.00000E+00 volume 3.48077E+06 ppm1 3.388 ppm2 0.874
ASSI { 34}
(( segid " B" and resid 27 and name HB2 ))
( segid " A" and resid 27 and name HD2#)
4.932 0.986 0.986 peak 34 weight 1.00000E+00 volume 3.14670E+05 ppm1 0.813 ppm2 1.329
ASSI { 34}
(( segid " A" and resid 27 and name HB2 ))
( segid " B" and resid 27 and name HD2#)
4.932 0.986 0.986 peak 34 weight 1.00000E+00 volume 3.14670E+05 ppm1 0.813 ppm2 1.329
ASSI { 425}
(( segid " B" and resid 27 and name HB1 ))
(( segid " A" and resid 27 and name HG ))
4.950 0.990 0.990 peak 425 weight 1.00000E+00 volume 3.07866E+05 ppm1 1.957 ppm2 1.642
ASSI { 425}
(( segid " A" and resid 27 and name HB1 ))
(( segid " B" and resid 27 and name HG ))
4.950 0.990 0.990 peak 425 weight 1.00000E+00 volume 3.07866E+05 ppm1 1.957 ppm2 1.642
ASSI { 213}
(( segid " B" and resid 24 and name HB ))
( segid " B" and resid 24 and name HG13)
3.473 0.695 0.695 peak 213 weight 1.00000E+00 volume 2.58088E+06 ppm1 2.108 ppm2 0.868
ASSI { 213}
(( segid " A" and resid 24 and name HB ))
( segid " A" and resid 24 and name HG13)
3.473 0.695 0.695 peak 213 weight 1.00000E+00 volume 2.58088E+06 ppm1 2.108 ppm2 0.868
ASSI { 113}
(( segid " A" and resid 13 and name HA ))
(( segid " B" and resid 13 and name HB1 ))
4.626 0.925 0.925 peak 113 weight 1.00000E+00 volume 4.61960E+05 ppm1 4.027 ppm2 1.253
ASSI { 113}
(( segid " B" and resid 13 and name HA ))
(( segid " A" and resid 13 and name HB1 ))
4.626 0.925 0.925 peak 113 weight 1.00000E+00 volume 4.61960E+05 ppm1 4.027 ppm2 1.253
ASSI { 436}
(( segid " A" and resid 4 and name HB2 ))
(( segid " A" and resid 4 and name HG2 ))
3.526 0.705 0.705 peak 436 weight 1.00000E+00 volume 2.35676E+06 ppm1 1.601 ppm2 1.731
ASSI { 436}
(( segid " B" and resid 4 and name HB2 ))
(( segid " B" and resid 4 and name HG2 ))
3.526 0.705 0.705 peak 436 weight 1.00000E+00 volume 2.35676E+06 ppm1 1.601 ppm2 1.731
ASSI { 385}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 12 and name HG1 ))
3.544 0.709 0.709 peak 385 weight 1.00000E+00 volume 2.28522E+06 ppm1 2.245 ppm2 2.377
ASSI { 385}
(( segid " B" and resid 12 and name HB2 ))
(( segid " B" and resid 12 and name HG1 ))
3.544 0.709 0.709 peak 385 weight 1.00000E+00 volume 2.28522E+06 ppm1 2.245 ppm2 2.377
ASSI { 28}
(( segid " B" and resid 27 and name HA ))
( segid " B" and resid 27 and name HD2#)
3.230 0.646 0.646 peak 28 weight 1.00000E+00 volume 3.98983E+06 ppm1 3.949 ppm2 0.831
ASSI { 28}
(( segid " A" and resid 27 and name HA ))
( segid " A" and resid 27 and name HD2#)
3.230 0.646 0.646 peak 28 weight 1.00000E+00 volume 3.98983E+06 ppm1 3.949 ppm2 0.831
!20HA
ASSI { 431}
(( segid " B" and resid 3 and name HB2 ))
(( segid " A" and resid 3 and name HA ))
4.541 0.908 0.908 peak 431 weight 1.00000E+00 volume 5.16708E+05 ppm1 2.147 ppm2 4.195
ASSI { 431}
(( segid " A" and resid 3 and name HB2 ))
(( segid " B" and resid 3 and name HA ))
4.541 0.908 0.908 peak 431 weight 1.00000E+00 volume 5.16708E+05 ppm1 2.147 ppm2 4.195
ASSI { 165}
(( segid " B" and resid 29 and name HA ))
(( segid " B" and resid 29 and name HB1 ))
3.286 0.657 0.657 peak 165 weight 1.00000E+00 volume 3.59497E+06 ppm1 4.165 ppm2 1.889
ASSI { 165}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 29 and name HB1 ))
3.286 0.657 0.657 peak 165 weight 1.00000E+00 volume 3.59497E+06 ppm1 4.165 ppm2 1.889
ASSI { 384}
(( segid " B" and resid 6 and name HA ))
(( segid " B" and resid 5 and name HB1 ))
4.477 0.895 0.895 peak 384 weight 1.00000E+00 volume 5.62670E+05 ppm1 2.249 ppm2 4.141
ASSI { 384}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 5 and name HB1 ))
4.477 0.895 0.895 peak 384 weight 1.00000E+00 volume 5.62670E+05 ppm1 2.249 ppm2 4.141
ASSI { 77}
(( segid " A" and resid 17 and name HB1 ))
(( segid " B" and resid 17 and name HB2 ))
4.453 0.891 0.891 peak 77 weight 1.00000E+00 volume 5.81161E+05 ppm1 3.269 ppm2 2.732
ASSI { 77}
(( segid " B" and resid 17 and name HB1 ))
(( segid " A" and resid 17 and name HB2 ))
4.453 0.891 0.891 peak 77 weight 1.00000E+00 volume 5.81161E+05 ppm1 3.269 ppm2 2.732
ASSI { 51}
(( segid " A" and resid 24 and name HB ))
( segid " A" and resid 24 and name HG13)
3.356 0.671 0.671 peak 51 weight 1.00000E+00 volume 3.17131E+06 ppm1 0.889 ppm2 2.071
ASSI { 51}
(( segid " B" and resid 24 and name HB ))
( segid " B" and resid 24 and name HG13)
3.356 0.671 0.671 peak 51 weight 1.00000E+00 volume 3.17131E+06 ppm1 0.889 ppm2 2.071
! ASSI { 37}
! (( segid " A" and resid 4 and name HD1 ))
! (( segid " A" and resid 4 and name HE1 ))
! 4.169 0.834 0.834 peak 37 weight 1.00000E+00 volume 8.62259E+05 ppm1 0.923 ppm2 3.371
ASSI { 259}
(( segid " B" and resid 16 and name HA ))
(( segid " B" and resid 15 and name HN ))
5.394 1.079 1.079 peak 259 weight 1.00000E+00 volume 1.83837E+05 ppm1 4.153 ppm2 7.846
ASSI { 259}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 15 and name HN ))
5.394 1.079 1.079 peak 259 weight 1.00000E+00 volume 1.83837E+05 ppm1 4.153 ppm2 7.846
!11HA
ASSI { 499}
(( segid " A" and resid 33 and name HB1 ))
(( segid " A" and resid 33 and name HA ))
4.365 0.873 0.873 peak 499 weight 1.00000E+00 volume 6.54995E+05 ppm1 2.026 ppm2 4.189
ASSI { 499}
(( segid " B" and resid 33 and name HB1 ))
(( segid " B" and resid 33 and name HA ))
4.365 0.873 0.873 peak 499 weight 1.00000E+00 volume 6.54995E+05 ppm1 2.026 ppm2 4.189
ASSI { 217}
(( segid " A" and resid 22 and name HA ))
( segid " A" and resid 25 and name HB# )
4.000 0.800 0.800 peak 217 weight 1.00000E+00 volume 1.10669E+06 ppm1 4.433 ppm2 1.454
ASSI { 217}
(( segid " B" and resid 22 and name HA ))
( segid " B" and resid 25 and name HB# )
4.000 0.800 0.800 peak 217 weight 1.00000E+00 volume 1.10669E+06 ppm1 4.433 ppm2 1.454
ASSI { 141}
(( segid " A" and resid 10 and name HA ))
( segid " B" and resid 10 and name HG2#)
3.854 0.771 0.771 peak 141 weight 1.00000E+00 volume 1.38225E+06 ppm1 1.054 ppm2 3.415
ASSI { 141}
(( segid " B" and resid 10 and name HA ))
( segid " A" and resid 10 and name HG2#)
3.854 0.771 0.771 peak 141 weight 1.00000E+00 volume 1.38225E+06 ppm1 1.054 ppm2 3.415
ASSI { 478}
(( segid " A" and resid 23 and name HB1 ))
(( segid " A" and resid 23 and name HG1 ))
3.854 0.771 0.771 peak 478 weight 1.00000E+00 volume 1.38165E+06 ppm1 2.247 ppm2 1.972
ASSI { 478}
(( segid " B" and resid 23 and name HB1 ))
(( segid " B" and resid 23 and name HG1 ))
3.854 0.771 0.771 peak 478 weight 1.00000E+00 volume 1.38165E+06 ppm1 2.247 ppm2 1.972
ASSI { 63}
(( segid " A" and resid 20 and name HA ))
(( segid " B" and resid 20 and name HB1 ))
4.150 0.830 0.830 peak 63 weight 1.00000E+00 volume 8.86470E+05 ppm1 3.955 ppm2 1.280
ASSI { 63}
(( segid " B" and resid 20 and name HA ))
(( segid " A" and resid 20 and name HB1 ))
4.150 0.830 0.830 peak 63 weight 1.00000E+00 volume 8.86470E+05 ppm1 3.955 ppm2 1.280
! ASSI { 193}
! (( segid " B" and resid 4 and name HB2 ))
! (( segid " A" and resid 16 and name HG1 ))
! 3.695 0.739 0.739 peak 193 weight 1.00000E+00 volume 1.77934E+06 ppm1 1.719 ppm2 1.547
ASSI { 92}
(( segid " B" and resid 14 and name HB2 ))
( segid " B" and resid 14 and name HD21)
4.106 0.821 0.821 peak 92 weight 1.00000E+00 volume -9.45876E+05 ppm1 0.911 ppm2 1.452
ASSI { 92}
(( segid " A" and resid 14 and name HB2 ))
( segid " A" and resid 14 and name HD21)
4.106 0.821 0.821 peak 92 weight 1.00000E+00 volume -9.45876E+05 ppm1 0.911 ppm2 1.452
ASSI { 442}
(( segid " B" and resid 5 and name HA ))
(( segid " B" and resid 5 and name HB2 ))
3.673 0.735 0.735 peak 442 weight 1.00000E+00 volume 1.84429E+06 ppm1 4.104 ppm2 2.195
ASSI { 442}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HB2 ))
3.673 0.735 0.735 peak 442 weight 1.00000E+00 volume 1.84429E+06 ppm1 4.104 ppm2 2.195
!10HB
ASSI { 395}
(( segid " B" and resid 6 and name HB2 ))
(( segid " A" and resid 6 and name HB1 ))
3.699 0.740 0.740 peak 395 weight 1.00000E+00 volume 1.76832E+06 ppm1 1.464 ppm2 2.013
ASSI { 395}
(( segid " A" and resid 6 and name HB2 ))
(( segid " B" and resid 6 and name HB1 ))
3.699 0.740 0.740 peak 395 weight 1.00000E+00 volume 1.76832E+06 ppm1 1.464 ppm2 2.013
! ASSI { 452}
! (( segid " A" and resid 4 and name HA ))
! (( segid " B" and resid 9 and name HG2 ))
! 3.588 0.718 0.718 peak 452 weight 1.00000E+00 volume 2.12159E+06 ppm1 4.154 ppm2 1.718
ASSI { 243}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 16 and name HB1 ))
4.585 0.917 0.917 peak 243 weight 1.00000E+00 volume -4.87273E+05 ppm1 1.859 ppm2 8.207
ASSI { 243}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 16 and name HB1 ))
4.585 0.917 0.917 peak 243 weight 1.00000E+00 volume -4.87273E+05 ppm1 1.859 ppm2 8.207
ASSI { 64}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 20 and name HG ))
3.616 0.723 0.723 peak 64 weight 1.00000E+00 volume 2.02774E+06 ppm1 3.947 ppm2 2.096
ASSI { 64}
(( segid " B" and resid 20 and name HA ))
(( segid " B" and resid 20 and name HG ))
3.616 0.723 0.723 peak 64 weight 1.00000E+00 volume 2.02774E+06 ppm1 3.947 ppm2 2.096
ASSI { 276}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 2 and name HA ))
5.780 1.156 1.156 peak 276 weight 1.00000E+00 volume 1.21477E+05 ppm1 4.149 ppm2 7.863
ASSI { 276}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 2 and name HA ))
5.780 1.156 1.156 peak 276 weight 1.00000E+00 volume 1.21477E+05 ppm1 4.149 ppm2 7.863
ASSI { 196}
(( segid " A" and resid 28 and name HA ))
(( segid " B" and resid 27 and name HD22 ))
3.658 0.732 0.732 peak 196 weight 1.00000E+00 volume 1.89089E+06 ppm1 3.814 ppm2 0.903
ASSI { 196}
(( segid " B" and resid 28 and name HA ))
(( segid " A" and resid 27 and name HD22 ))
3.658 0.732 0.732 peak 196 weight 1.00000E+00 volume 1.89089E+06 ppm1 3.814 ppm2 0.903
!28HD2
ASSI { 234}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 20 and name HB1 ))
4.733 0.947 0.947 peak 234 weight 1.00000E+00 volume 4.02860E+05 ppm1 4.396 ppm2 1.276
ASSI { 234}
(( segid " B" and resid 17 and name HA ))
(( segid " B" and resid 20 and name HB1 ))
4.733 0.947 0.947 peak 234 weight 1.00000E+00 volume 4.02860E+05 ppm1 4.396 ppm2 1.276
ASSI { 184}
(( segid " B" and resid 32 and name HA1 ))
( segid " B" and resid 31 and name HG2#)
3.941 0.788 0.788 peak 184 weight 1.00000E+00 volume 1.20827E+06 ppm1 0.989 ppm2 4.167
ASSI { 184}
(( segid " A" and resid 32 and name HA1 ))
( segid " A" and resid 31 and name HG2#)
3.941 0.788 0.788 peak 184 weight 1.00000E+00 volume 1.20827E+06 ppm1 0.989 ppm2 4.167
! ASSI { 274}
! (( segid " B" and resid 6 and name HB1 ))
! (( segid " B" and resid 2 and name HA ))
! 3.994 0.799 0.799 peak 274 weight 1.00000E+00 volume 1.11520E+06 ppm1 4.149 ppm2 1.429
ASSI { 461}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 19 and name HN ))
4.557 0.911 0.911 peak 461 weight 1.00000E+00 volume 5.05731E+05 ppm1 4.344 ppm2 7.846
ASSI { 461}
(( segid " B" and resid 17 and name HA ))
(( segid " B" and resid 19 and name HN ))
4.557 0.911 0.911 peak 461 weight 1.00000E+00 volume 5.05731E+05 ppm1 4.344 ppm2 7.846
!19HA
ASSI { 278}
(( segid " B" and resid 6 and name HG ))
(( segid " B" and resid 2 and name HA ))
4.588 0.918 0.918 peak 278 weight 1.00000E+00 volume 4.85633E+05 ppm1 4.147 ppm2 1.820
ASSI { 278}
(( segid " A" and resid 6 and name HG ))
(( segid " A" and resid 2 and name HA ))
4.588 0.918 0.918 peak 278 weight 1.00000E+00 volume 4.85633E+05 ppm1 4.147 ppm2 1.820
ASSI { 12}
(( segid " A" and resid 31 and name HA ))
( segid " A" and resid 31 and name HG1#)
3.669 0.734 0.734 peak 12 weight 1.00000E+00 volume 1.85561E+06 ppm1 4.181 ppm2 0.912
ASSI { 12}
(( segid " B" and resid 31 and name HA ))
( segid " B" and resid 31 and name HG1#)
3.669 0.734 0.734 peak 12 weight 1.00000E+00 volume 1.85561E+06 ppm1 4.181 ppm2 0.912
ASSI { 408}
(( segid " A" and resid 13 and name HB1 ))
( segid " B" and resid 13 and name HD1#)
3.952 0.790 0.790 peak 408 weight 1.00000E+00 volume 1.18932E+06 ppm1 1.281 ppm2 0.848
ASSI { 408}
(( segid " B" and resid 13 and name HB1 ))
( segid " A" and resid 13 and name HD1#)
3.952 0.790 0.790 peak 408 weight 1.00000E+00 volume 1.18932E+06 ppm1 1.281 ppm2 0.848
ASSI { 198}
(( segid " B" and resid 27 and name HB2 ))
( segid " B" and resid 27 and name HD2#)
3.844 0.769 0.769 peak 198 weight 1.00000E+00 volume 1.40297E+06 ppm1 1.330 ppm2 0.831
ASSI { 198}
(( segid " A" and resid 27 and name HB2 ))
( segid " A" and resid 27 and name HD2#)
3.844 0.769 0.769 peak 198 weight 1.00000E+00 volume 1.40297E+06 ppm1 1.330 ppm2 0.831
! ASSI { 433}
! (( segid " B" and resid 3 and name HG2 ))
! (( segid " A" and resid 3 and name HG1 ))
! 3.728 0.746 0.746 peak 433 weight 1.00000E+00 volume 1.68695E+06 ppm1 2.559 ppm2 2.079
! ASSI { 464}
! (( segid " B" and resid 16 and name HD1 ))
! (( segid " A" and resid 16 and name HG1 ))
! 4.022 0.804 0.804 peak 464 weight 1.00000E+00 volume 1.07004E+06 ppm1 0.948 ppm2 1.553
ASSI { 66}
(( segid " A" and resid 20 and name HG ))
(( segid " B" and resid 20 and name HB1 ))
4.038 0.808 0.808 peak 66 weight 1.00000E+00 volume 1.04563E+06 ppm1 1.316 ppm2 2.095
ASSI { 66}
(( segid " B" and resid 20 and name HG ))
(( segid " A" and resid 20 and name HB1 ))
4.038 0.808 0.808 peak 66 weight 1.00000E+00 volume 1.04563E+06 ppm1 1.316 ppm2 2.095
!switch
ASSI { 116}
(( segid " B" and resid 30 and name HA ))
(( segid " B" and resid 29 and name HG1 ))
4.698 0.940 0.940 peak 116 weight 1.00000E+00 volume 4.21425E+05 ppm1 1.505 ppm2 4.193
ASSI { 116}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 29 and name HG1 ))
4.698 0.940 0.940 peak 116 weight 1.00000E+00 volume 4.21425E+05 ppm1 1.505 ppm2 4.193
!29HA
ASSI { 15}
(( segid " A" and resid 31 and name HA ))
(( segid " A" and resid 30 and name HB1 ))
4.249 0.850 0.850 peak 15 weight 1.00000E+00 volume 7.70245E+05 ppm1 4.201 ppm2 1.577
ASSI { 15}
(( segid " B" and resid 31 and name HA ))
(( segid " B" and resid 30 and name HB1 ))
4.249 0.850 0.850 peak 15 weight 1.00000E+00 volume 7.70245E+05 ppm1 4.201 ppm2 1.577
!30HA
ASSI { 456}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 12 and name HG1 ))
3.834 0.767 0.767 peak 456 weight 1.00000E+00 volume 1.42645E+06 ppm1 2.027 ppm2 2.373
ASSI { 456}
(( segid " B" and resid 12 and name HB1 ))
(( segid " B" and resid 12 and name HG1 ))
3.834 0.767 0.767 peak 456 weight 1.00000E+00 volume 1.42645E+06 ppm1 2.027 ppm2 2.373
ASSI { 16}
(( segid " A" and resid 30 and name HB1 ))
( segid " A" and resid 30 and name HD11)
4.005 0.801 0.801 peak 16 weight 1.00000E+00 volume 1.09730E+06 ppm1 1.608 ppm2 0.875
ASSI { 16}
(( segid " B" and resid 30 and name HB1 ))
( segid " B" and resid 30 and name HD11)
4.005 0.801 0.801 peak 16 weight 1.00000E+00 volume 1.09730E+06 ppm1 1.608 ppm2 0.875
ASSI { 281}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 5 and name HG2 ))
5.212 1.042 1.042 peak 281 weight 1.00000E+00 volume -2.26030E+05 ppm1 2.431 ppm2 7.840
ASSI { 281}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 5 and name HG2 ))
5.212 1.042 1.042 peak 281 weight 1.00000E+00 volume -2.26030E+05 ppm1 2.431 ppm2 7.840
ASSI { 472}
( segid " A" and resid 20 and name HD2#)
(( segid " A" and resid 20 and name HB2 ))
4.236 0.847 0.847 peak 472 weight 1.00000E+00 volume 7.84289E+05 ppm1 0.912 ppm2 1.664
ASSI { 472}
( segid " B" and resid 20 and name HD2#)
(( segid " B" and resid 20 and name HB2 ))
4.236 0.847 0.847 peak 472 weight 1.00000E+00 volume 7.84289E+05 ppm1 0.912 ppm2 1.664
ASSI { 31}
(( segid " B" and resid 27 and name HA ))
(( segid " A" and resid 27 and name HB1 ))
4.896 0.979 0.979 peak 31 weight 1.00000E+00 volume 3.29022E+05 ppm1 1.962 ppm2 3.927
ASSI { 31}
(( segid " A" and resid 27 and name HA ))
(( segid " B" and resid 27 and name HB1 ))
4.896 0.979 0.979 peak 31 weight 1.00000E+00 volume 3.29022E+05 ppm1 1.962 ppm2 3.927
ASSI { 465}
(( segid " B" and resid 19 and name HA ))
(( segid " B" and resid 18 and name HN ))
5.349 1.070 1.070 peak 465 weight 1.00000E+00 volume -1.93475E+05 ppm1 4.365 ppm2 8.213
ASSI { 465}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 18 and name HN ))
5.349 1.070 1.070 peak 465 weight 1.00000E+00 volume -1.93475E+05 ppm1 4.365 ppm2 8.213
!18HA
ASSI { 80}
(( segid " A" and resid 17 and name HA ))
(( segid " B" and resid 17 and name HB2 ))
4.410 0.882 0.882 peak 80 weight 1.00000E+00 volume 6.16229E+05 ppm1 2.750 ppm2 4.375
ASSI { 80}
(( segid " B" and resid 17 and name HA ))
(( segid " A" and resid 17 and name HB2 ))
4.410 0.882 0.882 peak 80 weight 1.00000E+00 volume 6.16229E+05 ppm1 2.750 ppm2 4.375
ASSI { 189}
(( segid " A" and resid 29 and name HB1 ))
(( segid " A" and resid 29 and name HG1 ))
3.666 0.733 0.733 peak 189 weight 1.00000E+00 volume 1.86484E+06 ppm1 1.909 ppm2 1.546
ASSI { 189}
(( segid " B" and resid 29 and name HB1 ))
(( segid " B" and resid 29 and name HG1 ))
3.666 0.733 0.733 peak 189 weight 1.00000E+00 volume 1.86484E+06 ppm1 1.909 ppm2 1.546
ASSI { 223}
(( segid " B" and resid 21 and name HG2 ))
(( segid " B" and resid 21 and name HB2 ))
3.469 0.694 0.694 peak 223 weight 1.00000E+00 volume 2.59815E+06 ppm1 2.164 ppm2 2.472
ASSI { 223}
(( segid " A" and resid 21 and name HG2 ))
(( segid " A" and resid 21 and name HB2 ))
3.469 0.694 0.694 peak 223 weight 1.00000E+00 volume 2.59815E+06 ppm1 2.164 ppm2 2.472
ASSI { 18}
(( segid " B" and resid 31 and name HA ))
(( segid " A" and resid 30 and name HB1 ))
5.014 1.003 1.003 peak 18 weight 1.00000E+00 volume 2.85046E+05 ppm1 1.613 ppm2 4.195
ASSI { 18}
(( segid " A" and resid 31 and name HA ))
(( segid " B" and resid 30 and name HB1 ))
5.014 1.003 1.003 peak 18 weight 1.00000E+00 volume 2.85046E+05 ppm1 1.613 ppm2 4.195
!30HA
ASSI { 209}
(( segid " B" and resid 25 and name HA ))
(( segid " B" and resid 24 and name HA ))
4.833 0.967 0.967 peak 209 weight 1.00000E+00 volume 3.55519E+05 ppm1 3.392 ppm2 4.009
ASSI { 209}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 24 and name HA ))
4.833 0.967 0.967 peak 209 weight 1.00000E+00 volume 3.55519E+05 ppm1 3.392 ppm2 4.009
ASSI { 254}
(( segid " B" and resid 16 and name HB1 ))
(( segid " B" and resid 13 and name HA ))
3.707 0.941 0.941 peak 254 weight 1.00000E+00 volume 1.74551E+06 ppm1 4.027 ppm2 1.889
ASSI { 254}
(( segid " A" and resid 16 and name HB1 ))
(( segid " A" and resid 13 and name HA ))
3.707 0.941 0.941 peak 254 weight 1.00000E+00 volume 1.74551E+06 ppm1 4.027 ppm2 1.889
ASSI { 117}
(( segid " A" and resid 29 and name HG1 ))
(( segid " A" and resid 29 and name HE1 ))
4.854 0.971 0.971 peak 117 weight 1.00000E+00 volume 3.46234E+05 ppm1 1.505 ppm2 2.921
ASSI { 117}
(( segid " B" and resid 29 and name HG1 ))
(( segid " B" and resid 29 and name HE1 ))
4.854 0.971 0.971 peak 117 weight 1.00000E+00 volume 3.46234E+05 ppm1 1.505 ppm2 2.921
ASSI { 33}
(( segid " B" and resid 27 and name HA ))
( segid " B" and resid 30 and name HD2#)
4.002 0.800 0.800 peak 33 weight 1.00000E+00 volume 1.10210E+06 ppm1 0.813 ppm2 3.937
ASSI { 33}
(( segid " A" and resid 27 and name HA ))
( segid " A" and resid 30 and name HD2#)
4.002 0.800 0.800 peak 33 weight 1.00000E+00 volume 1.10210E+06 ppm1 0.813 ppm2 3.937
!27HD2#
ASSI { 449}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HG1 ))
3.952 0.790 0.790 peak 449 weight 1.00000E+00 volume 1.18922E+06 ppm1 4.153 ppm2 1.380
ASSI { 449}
(( segid " B" and resid 9 and name HA ))
(( segid " B" and resid 9 and name HG1 ))
3.952 0.790 0.790 peak 449 weight 1.00000E+00 volume 1.18922E+06 ppm1 4.153 ppm2 1.380
!4HA
! ASSI { 154}
! (( segid " A" and resid 6 and name HA ))
! (( segid " A" and resid 9 and name HB2 ))
! 4.541 0.908 0.908 peak 154 weight 1.00000E+00 volume 5.16604E+05 ppm1 4.204 ppm2 1.818
ASSI { 212}
(( segid " A" and resid 24 and name HA ))
(( segid " A" and resid 26 and name HB2 ))
5.687 1.137 1.137 peak 212 weight 1.00000E+00 volume 1.33969E+05 ppm1 2.108 ppm2 3.375
ASSI { 212}
(( segid " B" and resid 24 and name HA ))
(( segid " B" and resid 26 and name HB2 ))
5.687 1.137 1.137 peak 212 weight 1.00000E+00 volume 1.33969E+05 ppm1 2.108 ppm2 3.375
!24HB
ASSI { 398}
( segid " B" and resid 6 and name HD13)
(( segid " B" and resid 6 and name HG ))
3.475 0.695 0.695 peak 398 weight 1.00000E+00 volume 2.57251E+06 ppm1 1.781 ppm2 0.835
ASSI { 398}
( segid " A" and resid 6 and name HD13)
(( segid " A" and resid 6 and name HG ))
3.475 0.695 0.695 peak 398 weight 1.00000E+00 volume 2.57251E+06 ppm1 1.781 ppm2 0.835
ASSI { 112}
( segid " A" and resid 13 and name HD1#)
(( segid " A" and resid 13 and name HB1 ))
3.823 0.765 0.765 peak 112 weight 1.00000E+00 volume 1.45181E+06 ppm1 1.305 ppm2 0.883
ASSI { 112}
( segid " B" and resid 13 and name HD1#)
(( segid " B" and resid 13 and name HB1 ))
3.823 0.765 0.765 peak 112 weight 1.00000E+00 volume 1.45181E+06 ppm1 1.305 ppm2 0.883
!20HB1
ASSI { 473}
( segid " A" and resid 20 and name HD2#)
(( segid " A" and resid 20 and name HB1 ))
3.272 0.654 0.654 peak 473 weight 1.00000E+00 volume -3.69085E+06 ppm1 0.912 ppm2 1.283
ASSI { 473}
( segid " B" and resid 20 and name HD2#)
(( segid " B" and resid 20 and name HB1 ))
3.272 0.654 0.654 peak 473 weight 1.00000E+00 volume -3.69085E+06 ppm1 0.912 ppm2 1.283
ASSI { 421}
(( segid " A" and resid 16 and name HB1 ))
(( segid " A" and resid 16 and name HD2 ))
4.086 0.817 0.817 peak 421 weight 1.00000E+00 volume 9.73792E+05 ppm1 1.860 ppm2 0.823
ASSI { 421}
(( segid " B" and resid 16 and name HB1 ))
(( segid " B" and resid 16 and name HD2 ))
4.086 0.817 0.817 peak 421 weight 1.00000E+00 volume 9.73792E+05 ppm1 1.860 ppm2 0.823
ASSI { 57}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 22 and name HB2 ))
4.149 0.830 0.830 peak 57 weight 1.00000E+00 volume 8.88348E+05 ppm1 4.433 ppm2 2.740
ASSI { 57}
(( segid " B" and resid 23 and name HA ))
(( segid " B" and resid 22 and name HB2 ))
4.149 0.830 0.830 peak 57 weight 1.00000E+00 volume 8.88348E+05 ppm1 4.433 ppm2 2.740
!22HA
ASSI { 114}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 12 and name HG1 ))
5.356 1.071 1.071 peak 114 weight 1.00000E+00 volume 1.91812E+05 ppm1 2.335 ppm2 4.195
ASSI { 114}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 12 and name HG1 ))
5.356 1.071 1.071 peak 114 weight 1.00000E+00 volume 1.91812E+05 ppm1 2.335 ppm2 4.195
ASSI { 93}
(( segid " B" and resid 6 and name HA ))
( segid " B" and resid 6 and name HD2#)
3.487 0.697 0.697 peak 93 weight 1.00000E+00 volume 2.51932E+06 ppm1 0.906 ppm2 4.183
ASSI { 93}
(( segid " A" and resid 6 and name HA ))
( segid " A" and resid 6 and name HD2#)
3.487 0.697 0.697 peak 93 weight 1.00000E+00 volume 2.51932E+06 ppm1 0.906 ppm2 4.183
!27HD1#
ASSI { 272}
(( segid " B" and resid 8 and name HB2 ))
(( segid " B" and resid 12 and name HG1 ))
5.466 1.093 1.093 peak 272 weight 1.00000E+00 volume -1.69915E+05 ppm1 2.663 ppm2 2.368
ASSI { 272}
(( segid " A" and resid 8 and name HB2 ))
(( segid " A" and resid 12 and name HG1 ))
5.466 1.093 1.093 peak 272 weight 1.00000E+00 volume -1.69915E+05 ppm1 2.663 ppm2 2.368
ASSI { 162}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 11 and name HB2 ))
3.722 0.744 0.744 peak 162 weight 1.00000E+00 volume 1.70358E+06 ppm1 4.153 ppm2 2.084
ASSI { 162}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HB2 ))
3.722 0.744 0.744 peak 162 weight 1.00000E+00 volume 1.70358E+06 ppm1 4.153 ppm2 2.084
ASSI { 139}
(( segid " A" and resid 11 and name HG1 ))
(( segid " A" and resid 11 and name HB1 ))
3.348 0.670 0.670 peak 139 weight 1.00000E+00 volume 3.21848E+06 ppm1 2.034 ppm2 2.187
ASSI { 139}
(( segid " B" and resid 11 and name HG1 ))
(( segid " B" and resid 11 and name HB1 ))
3.348 0.670 0.670 peak 139 weight 1.00000E+00 volume 3.21848E+06 ppm1 2.034 ppm2 2.187
!12HB1
ASSI { 192}
(( segid " B" and resid 30 and name HA ))
(( segid " B" and resid 29 and name HB1 ))
4.143 0.829 0.829 peak 192 weight 1.00000E+00 volume 8.96298E+05 ppm1 1.920 ppm2 4.192
ASSI { 192}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 29 and name HB1 ))
4.143 0.829 0.829 peak 192 weight 1.00000E+00 volume 8.96298E+05 ppm1 1.920 ppm2 4.192
ASSI { 29}
(( segid " B" and resid 27 and name HB1 ))
( segid " A" and resid 27 and name HD2#)
4.223 0.845 0.845 peak 29 weight 1.00000E+00 volume 7.98578E+05 ppm1 1.952 ppm2 0.831
ASSI { 29}
(( segid " A" and resid 27 and name HB1 ))
( segid " B" and resid 27 and name HD2#)
4.223 0.845 0.845 peak 29 weight 1.00000E+00 volume 7.98578E+05 ppm1 1.952 ppm2 0.831
!switch
ASSI { 396}
(( segid " B" and resid 6 and name HB1 ))
(( segid " A" and resid 6 and name HG ))
4.126 0.825 0.825 peak 396 weight 1.00000E+00 volume 9.17996E+05 ppm1 1.468 ppm2 1.763
ASSI { 396}
(( segid " A" and resid 6 and name HB1 ))
(( segid " B" and resid 6 and name HG ))
4.126 0.825 0.825 peak 396 weight 1.00000E+00 volume 9.17996E+05 ppm1 1.468 ppm2 1.763
ASSI { 168}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 29 and name HB2 ))
3.413 0.683 0.683 peak 168 weight 1.00000E+00 volume 2.86770E+06 ppm1 4.165 ppm2 1.722
ASSI { 168}
(( segid " B" and resid 29 and name HA ))
(( segid " B" and resid 29 and name HB2 ))
3.413 0.683 0.683 peak 168 weight 1.00000E+00 volume 2.86770E+06 ppm1 4.165 ppm2 1.722
ASSI { 271}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 8 and name HA ))
4.412 0.882 0.882 peak 271 weight 1.00000E+00 volume -6.14144E+05 ppm1 4.397 ppm2 8.205
ASSI { 271}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 8 and name HA ))
4.412 0.882 0.882 peak 271 weight 1.00000E+00 volume -6.14144E+05 ppm1 4.397 ppm2 8.205
ASSI { 86}
(( segid " A" and resid 16 and name HB1 ))
(( segid " A" and resid 16 and name HG2 ))
3.687 0.737 0.737 peak 86 weight 1.00000E+00 volume 1.80344E+06 ppm1 1.855 ppm2 1.442
ASSI { 86}
(( segid " B" and resid 16 and name HB1 ))
(( segid " B" and resid 16 and name HG2 ))
3.687 0.737 0.737 peak 86 weight 1.00000E+00 volume 1.80344E+06 ppm1 1.855 ppm2 1.442
ASSI { 183}
(( segid " A" and resid 32 and name HA2 ))
( segid " A" and resid 31 and name HG2#)
4.100 0.820 0.820 peak 183 weight 1.00000E+00 volume 9.53233E+05 ppm1 0.984 ppm2 3.868
ASSI { 183}
(( segid " B" and resid 32 and name HA2 ))
( segid " B" and resid 31 and name HG2#)
4.100 0.820 0.820 peak 183 weight 1.00000E+00 volume 9.53233E+05 ppm1 0.984 ppm2 3.868
ASSI { 143}
(( segid " B" and resid 12 and name HB2 ))
(( segid " B" and resid 10 and name HA ))
5.030 1.006 1.006 peak 143 weight 1.00000E+00 volume 2.79739E+05 ppm1 2.255 ppm2 3.421
ASSI { 143}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 10 and name HA ))
5.030 1.006 1.006 peak 143 weight 1.00000E+00 volume 2.79739E+05 ppm1 2.255 ppm2 3.421
!10HB
ASSI { 91}
(( segid " A" and resid 6 and name HA ))
(( segid " B" and resid 6 and name HB1 ))
4.760 0.952 0.952 peak 91 weight 1.00000E+00 volume 3.89310E+05 ppm1 1.460 ppm2 4.170
ASSI { 91}
(( segid " B" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB1 ))
4.760 0.952 0.952 peak 91 weight 1.00000E+00 volume 3.89310E+05 ppm1 1.460 ppm2 4.170
! ASSI { 448}
! (( segid " B" and resid 6 and name HN ))
! (( segid " A" and resid 6 and name HG ))
! 4.341 0.868 0.868 peak 448 weight 1.00000E+00 volume -6.76855E+05 ppm1 1.786 ppm2 7.845
ASSI { 399}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HB2 ))
3.603 0.721 0.721 peak 399 weight 1.00000E+00 volume 2.06963E+06 ppm1 3.830 ppm2 2.189
ASSI { 399}
(( segid " B" and resid 7 and name HA ))
(( segid " B" and resid 7 and name HB2 ))
3.603 0.721 0.721 peak 399 weight 1.00000E+00 volume 2.06963E+06 ppm1 3.830 ppm2 2.189
ASSI { 235}
(( segid " A" and resid 20 and name HG ))
(( segid " A" and resid 17 and name HA ))
3.801 0.760 0.760 peak 235 weight 1.00000E+00 volume 1.50168E+06 ppm1 4.393 ppm2 2.102
ASSI { 235}
(( segid " B" and resid 20 and name HG ))
(( segid " B" and resid 17 and name HA ))
3.801 0.760 0.760 peak 235 weight 1.00000E+00 volume 1.50168E+06 ppm1 4.393 ppm2 2.102
ASSI { 203}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 28 and name HB1 ))
4.411 0.882 0.882 peak 203 weight 1.00000E+00 volume 6.15265E+05 ppm1 4.012 ppm2 1.790
ASSI { 203}
(( segid " B" and resid 25 and name HA ))
(( segid " B" and resid 28 and name HB1 ))
4.411 0.882 0.882 peak 203 weight 1.00000E+00 volume 6.15265E+05 ppm1 4.012 ppm2 1.790
ASSI { 469}
(( segid " B" and resid 19 and name HB2 ))
(( segid " B" and resid 19 and name HE2 ))
5.808 1.162 1.162 peak 469 weight 1.00000E+00 volume 1.17953E+05 ppm1 3.333 ppm2 8.016
ASSI { 469}
(( segid " A" and resid 19 and name HB2 ))
(( segid " A" and resid 19 and name HE2 ))
5.808 1.162 1.162 peak 469 weight 1.00000E+00 volume 1.17953E+05 ppm1 3.333 ppm2 8.016
! ASSI { 509}
! (( segid " B" and resid 26 and name HB1 ))
! ( segid " B" and resid 10 and name HG1#)
! 3.942 0.788 0.788 peak 509 weight 1.00000E+00 volume 1.12736E+06 ppm1 2.166 ppm2 0.878
ASSI { 514}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 28 and name HA ))
4.320 0.864 0.864 peak 514 weight 1.00000E+00 volume 6.50939E+05 ppm1 3.818 ppm2 4.195
ASSI { 514}
(( segid " B" and resid 29 and name HA ))
(( segid " B" and resid 28 and name HA ))
4.320 0.864 0.864 peak 514 weight 1.00000E+00 volume 6.50939E+05 ppm1 3.818 ppm2 4.195
!30HA
ASSI { 516}
(( segid " B" and resid 23 and name HA ))
(( segid " B" and resid 22 and name HB1 ))
4.458 0.892 0.892 peak 516 weight 1.00000E+00 volume 5.39351E+05 ppm1 2.881 ppm2 4.405
ASSI { 516}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 22 and name HB1 ))
4.458 0.892 0.892 peak 516 weight 1.00000E+00 volume 5.39351E+05 ppm1 2.881 ppm2 4.405
!22HA
ASSI { 517}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 16 and name HB2 ))
4.505 0.901 0.901 peak 517 weight 1.00000E+00 volume 5.06569E+05 ppm1 1.736 ppm2 4.171
ASSI { 517}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 16 and name HB2 ))
4.505 0.901 0.901 peak 517 weight 1.00000E+00 volume 5.06569E+05 ppm1 1.736 ppm2 4.171
!16HA
ASSI { 518}
(( segid " B" and resid 27 and name HA ))
(( segid " B" and resid 26 and name HB2 ))
4.619 0.924 0.924 peak 518 weight 1.00000E+00 volume 4.36037E+05 ppm1 1.882 ppm2 3.930
ASSI { 518}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 26 and name HB2 ))
4.619 0.924 0.924 peak 518 weight 1.00000E+00 volume 4.36037E+05 ppm1 1.882 ppm2 3.930
ASSI { 519}
(( segid " B" and resid 27 and name HA ))
(( segid " B" and resid 26 and name HB1 ))
4.510 0.902 0.902 peak 519 weight 1.00000E+00 volume 5.03084E+05 ppm1 2.161 ppm2 3.940
ASSI { 519}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 26 and name HB1 ))
4.510 0.902 0.902 peak 519 weight 1.00000E+00 volume 5.03084E+05 ppm1 2.161 ppm2 3.940
ASSI { 520}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 26 and name HB1 ))
4.255 0.851 0.851 peak 520 weight 1.00000E+00 volume 7.12994E+05 ppm1 2.161 ppm2 4.452
ASSI { 520}
(( segid " B" and resid 23 and name HA ))
(( segid " B" and resid 26 and name HB1 ))
4.255 0.851 0.851 peak 520 weight 1.00000E+00 volume 7.12994E+05 ppm1 2.161 ppm2 4.452
ASSI { 522}
( segid " B" and resid 24 and name HG1#)
(( segid " B" and resid 28 and name HG1 ))
4.020 0.804 0.804 peak 522 weight 1.00000E+00 volume 1.00247E+06 ppm1 1.332 ppm2 0.847
ASSI { 522}
( segid " A" and resid 24 and name HG1#)
(( segid " A" and resid 28 and name HG1 ))
4.020 0.804 0.804 peak 522 weight 1.00000E+00 volume 1.00247E+06 ppm1 1.332 ppm2 0.847
ASSI { 531}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 10 and name HB2 ))
4.360 0.872 0.872 peak 531 weight 1.00000E+00 volume 6.16509E+05 ppm1 2.247 ppm2 4.163
ASSI { 531}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 10 and name HB2 ))
4.360 0.872 0.872 peak 531 weight 1.00000E+00 volume 6.16509E+05 ppm1 2.247 ppm2 4.163
!12HB2
ASSI { 538}
(( segid " B" and resid 7 and name HA ))
( segid " B" and resid 10 and name HG1#)
3.496 0.699 0.699 peak 538 weight 1.00000E+00 volume 2.32026E+06 ppm1 3.821 ppm2 0.891
ASSI { 538}
(( segid " A" and resid 7 and name HA ))
( segid " A" and resid 10 and name HG1#)
3.496 0.699 0.699 peak 538 weight 1.00000E+00 volume 2.32026E+06 ppm1 3.821 ppm2 0.891
ASSI { 545}
(( segid " B" and resid 16 and name HG2 ))
(( segid " B" and resid 13 and name HA ))
4.813 0.963 0.963 peak 545 weight 1.00000E+00 volume 3.40656E+05 ppm1 1.474 ppm2 4.040
ASSI { 545}
(( segid " A" and resid 16 and name HG2 ))
(( segid " A" and resid 13 and name HA ))
4.813 0.963 0.963 peak 545 weight 1.00000E+00 volume 3.40656E+05 ppm1 1.474 ppm2 4.040
!14HB2
ASSI { 547}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 14 and name HB1 ))
4.519 0.904 0.904 peak 547 weight 1.00000E+00 volume 4.97207E+05 ppm1 1.946 ppm2 4.045
ASSI { 547}
(( segid " B" and resid 15 and name HA ))
(( segid " B" and resid 14 and name HB1 ))
4.519 0.904 0.904 peak 547 weight 1.00000E+00 volume 4.97207E+05 ppm1 1.946 ppm2 4.045
!14HA
ASSI { 555}
(( segid " B" and resid 6 and name HB1 ))
(( segid " B" and resid 6 and name HG ))
3.372 0.674 0.674 peak 555 weight 1.00000E+00 volume 2.88127E+06 ppm1 1.783 ppm2 1.408
ASSI { 555}
(( segid " A" and resid 6 and name HB1 ))
(( segid " A" and resid 6 and name HG ))
3.372 0.674 0.674 peak 555 weight 1.00000E+00 volume 2.88127E+06 ppm1 1.783 ppm2 1.408
ASSI { 556}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 28 and name HB1 ))
4.367 0.873 0.873 peak 556 weight 1.00000E+00 volume 6.10184E+05 ppm1 1.763 ppm2 4.181
ASSI { 556}
(( segid " B" and resid 29 and name HA ))
(( segid " B" and resid 28 and name HB1 ))
4.367 0.873 0.873 peak 556 weight 1.00000E+00 volume 6.10184E+05 ppm1 1.763 ppm2 4.181
ASSI { 558}
(( segid " A" and resid 26 and name HB1 ))
(( segid " A" and resid 27 and name HG ))
5.086 1.017 1.017 peak 558 weight 1.00000E+00 volume 2.44611E+05 ppm1 1.620 ppm2 2.134
ASSI { 558}
(( segid " B" and resid 26 and name HB1 ))
(( segid " B" and resid 27 and name HG ))
5.086 1.017 1.017 peak 558 weight 1.00000E+00 volume 2.44611E+05 ppm1 1.620 ppm2 2.134
ASSI { 560}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 12 and name HG1 ))
5.296 1.059 1.059 peak 560 weight 1.00000E+00 volume 1.91812E+05 ppm1 2.333 ppm2 4.181
ASSI { 560}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 12 and name HG1 ))
5.296 1.059 1.059 peak 560 weight 1.00000E+00 volume 1.91812E+05 ppm1 2.333 ppm2 4.181
!12HA
ASSI { 164}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 17 and name HD22))
4.608 0.922 0.922 peak 164 weight 1.00000E+00 volume 4.03416E+05 ppm1 7.615 ppm2 4.376
ASSI { 164}
(( segid " B" and resid 17 and name HA ))
(( segid " B" and resid 17 and name HD22))
4.608 0.922 0.922 peak 164 weight 1.00000E+00 volume 4.03416E+05 ppm1 7.615 ppm2 4.376
ASSI { 166}
(( segid " B" and resid 17 and name HB1 ))
(( segid " B" and resid 17 and name HD22))
4.112 0.822 0.822 peak 166 weight 1.00000E+00 volume 7.99440E+05 ppm1 7.610 ppm2 3.269
ASSI { 166}
(( segid " A" and resid 17 and name HB1 ))
(( segid " A" and resid 17 and name HD22))
4.112 0.822 0.822 peak 166 weight 1.00000E+00 volume 7.99440E+05 ppm1 7.610 ppm2 3.269
ASSI { 169}
(( segid " B" and resid 17 and name HB2 ))
(( segid " B" and resid 17 and name HD22))
4.337 0.867 0.867 peak 169 weight 1.00000E+00 volume 5.80594E+05 ppm1 7.610 ppm2 2.749
ASSI { 169}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 17 and name HD22))
4.337 0.867 0.867 peak 169 weight 1.00000E+00 volume 5.80594E+05 ppm1 7.610 ppm2 2.749
ASSI { 171}
(( segid " A" and resid 5 and name HE21))
(( segid " A" and resid 5 and name HE22))
2.734 0.547 0.547 peak 171 weight 1.00000E+00 volume 9.24692E+06 ppm1 6.896 ppm2 7.623
ASSI { 171}
(( segid " B" and resid 5 and name HE21))
(( segid " B" and resid 5 and name HE22))
2.734 0.547 0.547 peak 171 weight 1.00000E+00 volume 9.24692E+06 ppm1 6.896 ppm2 7.623
ASSI { 173}
(( segid " A" and resid 5 and name HG2 ))
(( segid " A" and resid 5 and name HE21))
4.330 0.866 0.866 peak 173 weight 1.00000E+00 volume 5.86212E+05 ppm1 7.615 ppm2 2.462
ASSI { 173}
(( segid " B" and resid 5 and name HG2 ))
(( segid " B" and resid 5 and name HE21))
4.330 0.866 0.866 peak 173 weight 1.00000E+00 volume 5.86212E+05 ppm1 7.615 ppm2 2.462
ASSI { 175}
(( segid " A" and resid 22 and name HD21))
(( segid " A" and resid 22 and name HD22))
2.720 0.544 0.544 peak 175 weight 1.00000E+00 volume 9.53637E+06 ppm1 7.436 ppm2 5.840
ASSI { 175}
(( segid " B" and resid 22 and name HD21))
(( segid " B" and resid 22 and name HD22))
2.720 0.544 0.544 peak 175 weight 1.00000E+00 volume 9.53637E+06 ppm1 7.436 ppm2 5.840
ASSI { 177}
(( segid " B" and resid 22 and name HA ))
(( segid " B" and resid 22 and name HD22))
5.104 1.021 1.021 peak 177 weight 1.00000E+00 volume 2.18378E+05 ppm1 7.436 ppm2 4.419
ASSI { 177}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 22 and name HD22))
5.104 1.021 1.021 peak 177 weight 1.00000E+00 volume 2.18378E+05 ppm1 7.436 ppm2 4.419
ASSI { 178}
(( segid " B" and resid 22 and name HA ))
(( segid " B" and resid 22 and name HD21))
5.271 1.054 1.054 peak 178 weight 1.00000E+00 volume 1.80121E+05 ppm1 5.831 ppm2 4.456
ASSI { 178}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 22 and name HD21))
5.271 1.054 1.054 peak 178 weight 1.00000E+00 volume 1.80121E+05 ppm1 5.831 ppm2 4.456
ASSI { 179}
(( segid " B" and resid 22 and name HB1 ))
(( segid " B" and resid 22 and name HD22))
3.849 0.770 0.770 peak 179 weight 1.00000E+00 volume 1.18785E+06 ppm1 7.442 ppm2 2.845
ASSI { 179}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 22 and name HD22))
3.849 0.770 0.770 peak 179 weight 1.00000E+00 volume 1.18785E+06 ppm1 7.442 ppm2 2.845
ASSI { 180}
(( segid " B" and resid 22 and name HB1 ))
(( segid " B" and resid 22 and name HD21))
4.434 0.887 0.887 peak 180 weight 1.00000E+00 volume 5.08071E+05 ppm1 5.831 ppm2 2.845
ASSI { 180}
(( segid " A" and resid 22 and name HB1 ))
(( segid " A" and resid 22 and name HD21))
4.434 0.887 0.887 peak 180 weight 1.00000E+00 volume 5.08071E+05 ppm1 5.831 ppm2 2.845
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