Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
613918 | 5iiv RC | 30029 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 3: 15_new_noe.tbl
! ASSI { 2}
! (( segid " B" and resid 31 and name HA ))
! ( segid " B" and resid 28 and name HD1)
! 4.084 0.817 0.817 peak 2 weight 1.00000E+00 volume 2.22362E+04 ppm1 4.257 ppm2 1.079
!10HG2#
ASSI { 12}
(( segid " B" and resid 30 and name HA ))
(( segid " B" and resid 30 and name HB2 ))
4.059 0.812 0.812 peak 12 weight 1.00000E+00 volume 1.18948E+05 ppm1 4.403 ppm2 1.794
ASSI { 12}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 30 and name HB2 ))
4.059 0.812 0.812 peak 12 weight 1.00000E+00 volume 1.18948E+05 ppm1 4.403 ppm2 1.794
ASSI { 13}
(( segid " A" and resid 30 and name HB2 ))
( segid " A" and resid 30 and name HD1#)
4.035 0.807 0.807 peak 13 weight 1.00000E+00 volume 5.02064E+04 ppm1 1.789 ppm2 0.989
ASSI { 13}
(( segid " B" and resid 30 and name HB2 ))
( segid " B" and resid 30 and name HD1#)
4.035 0.807 0.807 peak 13 weight 1.00000E+00 volume 5.02064E+04 ppm1 1.789 ppm2 0.989
ASSI { 19}
(( segid " B" and resid 27 and name HA ))
( segid " B" and resid 27 and name HD13)
4.471 0.894 0.894 peak 19 weight 1.00000E+00 volume 2.49799E+04 ppm1 4.181 ppm2 0.680
ASSI { 19}
(( segid " A" and resid 27 and name HA ))
( segid " A" and resid 27 and name HD13)
4.471 0.894 0.894 peak 19 weight 1.00000E+00 volume 2.49799E+04 ppm1 4.181 ppm2 0.680
!17HA
ASSI { 20}
(( segid " A" and resid 27 and name HB2 ))
( segid " B" and resid 27 and name HD2#)
5.453 1.091 1.091 peak 20 weight 1.00000E+00 volume 2.05628E+04 ppm1 1.719 ppm2 0.982
ASSI { 20}
(( segid " B" and resid 27 and name HB2 ))
( segid " A" and resid 27 and name HD2#)
5.453 1.091 1.091 peak 20 weight 1.00000E+00 volume 2.05628E+04 ppm1 1.719 ppm2 0.982
!6HB1
ASSI { 22}
( segid " A" and resid 27 and name HD2#)
( segid " A" and resid 27 and name HD1#)
2.992 0.598 0.598 peak 22 weight 1.00000E+00 volume 3.87294E+04 ppm1 0.669 ppm2 0.983
ASSI { 22}
( segid " B" and resid 27 and name HD2#)
( segid " B" and resid 27 and name HD1#)
2.992 0.598 0.598 peak 22 weight 1.00000E+00 volume 3.87294E+04 ppm1 0.669 ppm2 0.983
ASSI { 25}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 25 and name HA ))
4.234 0.847 0.847 peak 25 weight 1.00000E+00 volume 3.85154E+04 ppm1 4.198 ppm2 7.908
ASSI { 25}
(( segid " B" and resid 26 and name HN ))
(( segid " B" and resid 25 and name HA ))
4.234 0.847 0.847 peak 25 weight 1.00000E+00 volume 3.85154E+04 ppm1 4.198 ppm2 7.908
!11HA
ASSI { 26}
(( segid " B" and resid 24 and name HN ))
(( segid " B" and resid 23 and name HB2 ))
4.793 0.959 0.959 peak 26 weight 1.00000E+00 volume 2.19884E+04 ppm1 2.107 ppm2 8.819
ASSI { 26}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 23 and name HB2 ))
4.793 0.959 0.959 peak 26 weight 1.00000E+00 volume 2.19884E+04 ppm1 2.107 ppm2 8.819
ASSI { 28}
(( segid " B" and resid 22 and name HA ))
(( segid " B" and resid 22 and name HB2 ))
2.484 0.497 0.497 peak 28 weight 1.00000E+00 volume 1.31649E+06 ppm1 4.609 ppm2 2.984
ASSI { 28}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 22 and name HB2 ))
2.484 0.497 0.497 peak 28 weight 1.00000E+00 volume 1.31649E+06 ppm1 4.609 ppm2 2.984
ASSI { 29}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 15 and name HB2 ))
2.783 0.557 0.557 peak 29 weight 1.00000E+00 volume 2.60257E+05 ppm1 4.438 ppm2 8.464
ASSI { 29}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 15 and name HB2 ))
2.783 0.557 0.557 peak 29 weight 1.00000E+00 volume 2.60257E+05 ppm1 4.438 ppm2 8.464
ASSI { 32}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HB2 ))
3.940 0.788 0.788 peak 32 weight 1.00000E+00 volume 1.93367E+04 ppm1 1.674 ppm2 8.549
ASSI { 32}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 9 and name HB2 ))
3.940 0.788 0.788 peak 32 weight 1.00000E+00 volume 1.93367E+04 ppm1 1.674 ppm2 8.549
ASSI { 34}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HB1 ))
3.781 0.756 0.756 peak 34 weight 1.00000E+00 volume 5.16920E+04 ppm1 4.235 ppm2 2.526
ASSI { 34}
(( segid " B" and resid 8 and name HA ))
(( segid " B" and resid 8 and name HB1 ))
3.781 0.756 0.756 peak 34 weight 1.00000E+00 volume 5.16920E+04 ppm1 4.235 ppm2 2.526
ASSI { 36}
(( segid " B" and resid 6 and name HB1 ))
(( segid " A" and resid 6 and name HB2 ))
3.530 0.706 0.706 peak 36 weight 1.00000E+00 volume 6.94251E+04 ppm1 1.098 ppm2 1.719
ASSI { 37}
(( segid " A" and resid 6 and name HB1 ))
(( segid " B" and resid 6 and name HB2 ))
3.647 0.729 0.729 peak 37 weight 1.00000E+00 volume 2.96711E+04 ppm1 1.786 ppm2 1.091
!30HB2
ASSI { 38}
(( segid " B" and resid 6 and name HB2 ))
( segid " B" and resid 6 and name HD1#)
3.383 0.677 0.677 peak 38 weight 1.00000E+00 volume 8.67985E+04 ppm1 1.091 ppm2 0.624
ASSI { 38}
(( segid " A" and resid 6 and name HB2 ))
( segid " A" and resid 6 and name HD1#)
3.383 0.677 0.677 peak 38 weight 1.00000E+00 volume 8.67985E+04 ppm1 1.091 ppm2 0.624
ASSI { 40}
(( segid " A" and resid 6 and name HB1 ))
( segid " A" and resid 6 and name HD1#)
3.255 0.651 0.651 peak 40 weight 1.00000E+00 volume 7.83327E+04 ppm1 1.782 ppm2 0.623
ASSI { 40}
(( segid " B" and resid 6 and name HB1 ))
( segid " B" and resid 6 and name HD1#)
3.255 0.651 0.651 peak 40 weight 1.00000E+00 volume 7.83327E+04 ppm1 1.782 ppm2 0.623
!30HB2
ASSI { 43}
(( segid " A" and resid 20 and name HG ))
( segid " B" and resid 20 and name HD1#)
4.904 0.981 0.981 peak 43 weight 1.00000E+00 volume 2.81397E+04 ppm1 2.123 ppm2 0.982
ASSI { 43}
(( segid " B" and resid 20 and name HG ))
( segid " A" and resid 20 and name HD1#)
4.904 0.981 0.981 peak 43 weight 1.00000E+00 volume 2.81397E+04 ppm1 2.123 ppm2 0.982
! ASSI { 44}
! (( segid " A" and resid 26 and name HB2 ))
! (( segid " A" and resid 24 and name HB ))
! 3.700 0.740 0.740 peak 44 weight 1.00000E+00 volume 7.70928E+04 ppm1 2.351 ppm2 1.878
!7/1
ASSI { 50}
(( segid " B" and resid 16 and name HB2 ))
(( segid " B" and resid 13 and name HG ))
3.449 0.690 0.690 peak 50 weight 1.00000E+00 volume 2.26206E+04 ppm1 1.907 ppm2 2.093
ASSI { 50}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 13 and name HG ))
3.449 0.690 0.690 peak 50 weight 1.00000E+00 volume 2.26206E+04 ppm1 1.907 ppm2 2.093
!16HB1
ASSI { 51}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HD2 ))
3.816 0.763 0.763 peak 51 weight 1.00000E+00 volume 3.46110E+04 ppm1 1.901 ppm2 0.623
ASSI { 51}
(( segid " B" and resid 16 and name HB2 ))
(( segid " B" and resid 16 and name HD2 ))
3.816 0.763 0.763 peak 51 weight 1.00000E+00 volume 3.46110E+04 ppm1 1.901 ppm2 0.623
ASSI { 62}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 2 and name HB2 ))
3.710 0.742 0.742 peak 62 weight 1.00000E+00 volume 5.36033E+04 ppm1 3.748 ppm2 4.375
ASSI { 62}
(( segid " B" and resid 3 and name HA ))
(( segid " B" and resid 2 and name HB2 ))
3.710 0.742 0.742 peak 62 weight 1.00000E+00 volume 5.36033E+04 ppm1 3.748 ppm2 4.375
ASSI { 65}
(( segid " B" and resid 9 and name HA ))
(( segid " B" and resid 9 and name HD2 ))
4.075 0.815 0.815 peak 65 weight 1.00000E+00 volume 3.44474E+04 ppm1 4.342 ppm2 1.160
ASSI { 65}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HD2 ))
4.075 0.815 0.815 peak 65 weight 1.00000E+00 volume 3.44474E+04 ppm1 4.342 ppm2 1.160
ASSI { 69}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 22 and name HB1 ))
3.705 0.741 0.741 peak 69 weight 1.00000E+00 volume 5.33153E+04 ppm1 2.544 ppm2 4.184
ASSI { 69}
(( segid " B" and resid 23 and name HA ))
(( segid " B" and resid 22 and name HB1 ))
3.705 0.741 0.741 peak 69 weight 1.00000E+00 volume 5.33153E+04 ppm1 2.544 ppm2 4.184
!25HA
ASSI { 71}
(( segid " B" and resid 27 and name HB2 ))
(( segid " A" and resid 27 and name HB1 ))
4.878 0.976 0.976 peak 71 weight 1.00000E+00 volume 2.20899E+04 ppm1 1.739 ppm2 0.996
ASSI { 71}
(( segid " A" and resid 27 and name HB2 ))
(( segid " B" and resid 27 and name HB1 ))
4.878 0.976 0.976 peak 71 weight 1.00000E+00 volume 2.20899E+04 ppm1 1.739 ppm2 0.996
! ASSI { 73}
! (( segid " B" and resid 11 and name HA ))
! (( segid " B" and resid 8 and name HB1 ))
! 4.500 0.900 0.900 peak 73 weight 1.00000E+00 volume 2.34816E+04 ppm1 4.189 ppm2 2.532
ASSI { 74}
(( segid " A" and resid 28 and name HB2 ))
( segid " A" and resid 25 and name HB2 )
5.430 1.086 1.086 peak 74 weight 1.00000E+00 volume 2.54032E+04 ppm1 1.986 ppm2 1.636
ASSI { 74}
(( segid " B" and resid 28 and name HB2 ))
( segid " B" and resid 25 and name HB2 )
5.430 1.086 1.086 peak 74 weight 1.00000E+00 volume 2.54032E+04 ppm1 1.986 ppm2 1.636
ASSI { 75}
(( segid " B" and resid 28 and name HB2 ))
( segid " A" and resid 27 and name HD13)
4.164 0.833 0.833 peak 75 weight 1.00000E+00 volume 1.40660E+04 ppm1 1.976 ppm2 0.675
ASSI { 75}
(( segid " A" and resid 28 and name HB2 ))
( segid " B" and resid 27 and name HD13)
4.164 0.833 0.833 peak 75 weight 1.00000E+00 volume 1.40660E+04 ppm1 1.976 ppm2 0.675
ASSI { 79}
(( segid " B" and resid 4 and name HB2 ))
(( segid " B" and resid 3 and name HB2 ))
3.157 0.831 0.831 peak 79 weight 1.00000E+00 volume 4.75118E+05 ppm1 2.298 ppm2 1.989
ASSI { 79}
(( segid " A" and resid 4 and name HB2 ))
(( segid " A" and resid 3 and name HB2 ))
3.157 0.831 0.831 peak 79 weight 1.00000E+00 volume 4.75118E+05 ppm1 2.298 ppm2 1.989
ASSI { 80}
(( segid " B" and resid 3 and name HB2 ))
(( segid " B" and resid 4 and name HG2 ))
4.512 0.902 0.902 peak 80 weight 1.00000E+00 volume 1.20288E+05 ppm1 2.290 ppm2 1.631
ASSI { 80}
(( segid " A" and resid 3 and name HB2 ))
(( segid " A" and resid 4 and name HG2 ))
4.512 0.902 0.902 peak 80 weight 1.00000E+00 volume 1.20288E+05 ppm1 2.290 ppm2 1.631
ASSI { 82}
(( segid " B" and resid 3 and name HB2 ))
(( segid " B" and resid 4 and name HD2 ))
3.223 0.645 0.645 peak 82 weight 1.00000E+00 volume 1.19579E+05 ppm1 2.298 ppm2 0.679
ASSI { 82}
(( segid " A" and resid 3 and name HB2 ))
(( segid " A" and resid 4 and name HD2 ))
3.223 0.645 0.645 peak 82 weight 1.00000E+00 volume 1.19579E+05 ppm1 2.298 ppm2 0.679
! ASSI { 89}
! (( segid " B" and resid 30 and name HB2 ))
! (( segid " A" and resid 3 and name HB2 ))
! 3.806 0.761 0.761 peak 89 weight 1.00000E+00 volume 9.95938E+04 ppm1 2.288 ppm2 1.791
ASSI { 90}
(( segid " A" and resid 7 and name HB1 ))
(( segid " A" and resid 4 and name HB1 ))
2.568 0.514 0.514 peak 90 weight 1.00000E+00 volume 4.84852E+05 ppm1 2.292 ppm2 2.419
ASSI { 90}
(( segid " B" and resid 7 and name HB1 ))
(( segid " B" and resid 4 and name HB1 ))
2.568 0.514 0.514 peak 90 weight 1.00000E+00 volume 4.84852E+05 ppm1 2.292 ppm2 2.419
ASSI { 92}
(( segid " B" and resid 3 and name HB2 ))
(( segid " B" and resid 2 and name HB2 ))
3.603 0.721 0.721 peak 92 weight 1.00000E+00 volume 5.61219E+04 ppm1 2.292 ppm2 3.887
ASSI { 92}
(( segid " A" and resid 3 and name HB2 ))
(( segid " A" and resid 2 and name HB2 ))
3.603 0.721 0.721 peak 92 weight 1.00000E+00 volume 5.61219E+04 ppm1 2.292 ppm2 3.887
ASSI { 94}
(( segid " B" and resid 4 and name HA ))
(( segid " B" and resid 3 and name HN ))
4.251 0.850 0.850 peak 94 weight 1.00000E+00 volume 3.17567E+04 ppm1 4.203 ppm2 9.094
ASSI { 94}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 3 and name HN ))
4.251 0.850 0.850 peak 94 weight 1.00000E+00 volume 3.17567E+04 ppm1 4.203 ppm2 9.094
!11HA
! ASSI { 102}
! (( segid " A" and resid 13 and name HB2 ))
! (( segid " B" and resid 5 and name HB1 ))
! 4.114 0.823 0.823 peak 102 weight 1.00000E+00 volume 7.68976E+04 ppm1 1.753 ppm2 1.442
ASSI { 103}
(( segid " B" and resid 6 and name HA ))
(( segid " B" and resid 10 and name HG1 ))
3.834 0.767 0.767 peak 103 weight 1.00000E+00 volume 3.20590E+04 ppm1 4.317 ppm2 1.143
ASSI { 103}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 10 and name HG1 ))
3.834 0.767 0.767 peak 103 weight 1.00000E+00 volume 3.20590E+04 ppm1 4.317 ppm2 1.143
!9HD2
ASSI { 104}
(( segid " A" and resid 28 and name HB1 ))
(( segid " A" and resid 30 and name HB2 ))
3.225 0.645 0.645 peak 104 weight 1.00000E+00 volume 6.31767E+04 ppm1 1.796 ppm2 1.402
ASSI { 104}
(( segid " B" and resid 28 and name HB1 ))
(( segid " B" and resid 30 and name HB2 ))
3.225 0.645 0.645 peak 104 weight 1.00000E+00 volume 6.31767E+04 ppm1 1.796 ppm2 1.402
!13HB2
ASSI { 108}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 6 and name HG ))
5.923 1.185 1.185 peak 108 weight 1.00000E+00 volume 2.62149E+04 ppm1 1.921 ppm2 7.998
ASSI { 108}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 6 and name HG ))
5.923 1.185 1.185 peak 108 weight 1.00000E+00 volume 2.62149E+04 ppm1 1.921 ppm2 7.998
ASSI { 110}
( segid " A" and resid 6 and name HB2)
( segid " A" and resid 6 and name HD1#)
3.113 0.623 0.623 peak 110 weight 1.00000E+00 volume 1.73071E+05 ppm1 0.646 ppm2 0.994
ASSI { 110}
( segid " B" and resid 6 and name HB2)
( segid " B" and resid 6 and name HD1#)
3.113 0.623 0.623 peak 110 weight 1.00000E+00 volume 1.73071E+05 ppm1 0.646 ppm2 0.994
ASSI { 111}
(( segid " A" and resid 6 and name HB1 ))
( segid " A" and resid 6 and name HD1#)
3.185 0.637 0.637 peak 111 weight 1.00000E+00 volume 1.76974E+05 ppm1 0.646 ppm2 1.703
ASSI { 111}
(( segid " B" and resid 6 and name HB1 ))
( segid " B" and resid 6 and name HD1#)
3.185 0.637 0.637 peak 111 weight 1.00000E+00 volume 1.76974E+05 ppm1 0.646 ppm2 1.703
ASSI { 112}
(( segid " A" and resid 6 and name HG ))
( segid " B" and resid 6 and name HD1#)
3.957 0.791 0.791 peak 112 weight 1.00000E+00 volume 8.18287E+04 ppm1 0.658 ppm2 1.894
ASSI { 114}
(( segid " A" and resid 28 and name HA ))
( segid " B" and resid 27 and name HD2#)
4.030 0.806 0.806 peak 114 weight 1.00000E+00 volume 5.04322E+04 ppm1 0.650 ppm2 4.004
ASSI { 114}
(( segid " B" and resid 28 and name HA ))
( segid " A" and resid 27 and name HD2#)
4.030 0.806 0.806 peak 114 weight 1.00000E+00 volume 5.04322E+04 ppm1 0.650 ppm2 4.004
!6HD1#
ASSI { 115}
(( segid " B" and resid 8 and name HA ))
(( segid " B" and resid 7 and name HG1 ))
3.932 0.786 0.786 peak 115 weight 1.00000E+00 volume 3.42272E+04 ppm1 2.881 ppm2 4.175
ASSI { 115}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 7 and name HG1 ))
3.932 0.786 0.786 peak 115 weight 1.00000E+00 volume 3.42272E+04 ppm1 2.881 ppm2 4.175
!4HA
ASSI { 116}
(( segid " B" and resid 4 and name HA ))
(( segid " B" and resid 7 and name HG2 ))
4.711 0.942 0.942 peak 116 weight 1.00000E+00 volume 3.38850E+04 ppm1 2.767 ppm2 4.179
ASSI { 116}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 7 and name HG2 ))
4.711 0.942 0.942 peak 116 weight 1.00000E+00 volume 3.38850E+04 ppm1 2.767 ppm2 4.179
ASSI { 117}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 9 and name HB2 ))
5.205 1.041 1.041 peak 117 weight 1.00000E+00 volume 4.04380E+04 ppm1 4.249 ppm2 1.727
ASSI { 117}
(( segid " B" and resid 8 and name HA ))
(( segid " B" and resid 9 and name HB2 ))
5.205 1.041 1.041 peak 117 weight 1.00000E+00 volume 4.04380E+04 ppm1 4.249 ppm2 1.727
! ASSI { 119}
! (( segid " A" and resid 22 and name HA ))
! (( segid " A" and resid 8 and name HA ))
! 3.538 0.708 0.708 peak 119 weight 1.00000E+00 volume 8.35794E+04 ppm1 4.240 ppm2 4.613
ASSI { 123}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 9 and name HN ))
4.415 0.883 0.883 peak 123 weight 1.00000E+00 volume 4.68224E+04 ppm1 4.253 ppm2 8.187
ASSI { 123}
(( segid " B" and resid 8 and name HA ))
(( segid " B" and resid 9 and name HN ))
4.415 0.883 0.883 peak 123 weight 1.00000E+00 volume 4.68224E+04 ppm1 4.253 ppm2 8.187
!6HN
ASSI { 124}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 12 and name HN ))
4.305 0.861 0.861 peak 124 weight 1.00000E+00 volume 2.34231E+04 ppm1 4.218 ppm2 8.376
ASSI { 124}
(( segid " B" and resid 8 and name HA ))
(( segid " B" and resid 12 and name HN ))
4.305 0.861 0.861 peak 124 weight 1.00000E+00 volume 2.34231E+04 ppm1 4.218 ppm2 8.376
ASSI { 134}
(( segid " B" and resid 10 and name HB ))
(( segid " B" and resid 11 and name HG2 ))
2.951 0.590 0.590 peak 134 weight 1.00000E+00 volume 9.01843E+04 ppm1 2.273 ppm2 2.429
ASSI { 134}
(( segid " A" and resid 10 and name HB ))
(( segid " A" and resid 11 and name HG2 ))
2.951 0.590 0.590 peak 134 weight 1.00000E+00 volume 9.01843E+04 ppm1 2.273 ppm2 2.429
! ASSI { 135}
! (( segid " B" and resid 22 and name HB2 ))
! (( segid " A" and resid 10 and name HB ))
! 4.198 0.840 0.840 peak 135 weight 1.00000E+00 volume 3.66887E+04 ppm1 2.268 ppm2 2.990
ASSI { 137}
(( segid " B" and resid 9 and name HB2 ))
(( segid " B" and resid 5 and name HB2 ))
3.671 0.734 0.734 peak 137 weight 1.00000E+00 volume 4.95030E+04 ppm1 1.689 ppm2 1.973
ASSI { 137}
(( segid " A" and resid 9 and name HB2 ))
(( segid " A" and resid 5 and name HB2 ))
3.671 0.734 0.734 peak 137 weight 1.00000E+00 volume 4.95030E+04 ppm1 1.689 ppm2 1.973
ASSI { 143}
(( segid " B" and resid 12 and name HN ))
( segid " B" and resid 10 and name HG1#)
5.472 1.094 1.094 peak 143 weight 1.00000E+00 volume 3.56460E+04 ppm1 1.195 ppm2 8.366
ASSI { 143}
(( segid " A" and resid 12 and name HN ))
( segid " A" and resid 10 and name HG1#)
5.472 1.094 1.094 peak 143 weight 1.00000E+00 volume 3.56460E+04 ppm1 1.195 ppm2 8.366
ASSI { 146}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 15 and name HB2 ))
4.052 0.810 0.810 peak 146 weight 1.00000E+00 volume 3.86519E+04 ppm1 4.313 ppm2 4.442
ASSI { 146}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 15 and name HB2 ))
4.052 0.810 0.810 peak 146 weight 1.00000E+00 volume 3.86519E+04 ppm1 4.313 ppm2 4.442
ASSI { 151}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 11 and name HN ))
4.298 0.860 0.860 peak 151 weight 1.00000E+00 volume 3.09583E+04 ppm1 4.300 ppm2 8.029
ASSI { 151}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 11 and name HN ))
4.298 0.860 0.860 peak 151 weight 1.00000E+00 volume 3.09583E+04 ppm1 4.300 ppm2 8.029
ASSI { 152}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 14 and name HN ))
3.764 0.753 0.753 peak 152 weight 1.00000E+00 volume 4.18484E+04 ppm1 4.318 ppm2 9.095
ASSI { 152}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 14 and name HN ))
3.764 0.753 0.753 peak 152 weight 1.00000E+00 volume 4.18484E+04 ppm1 4.318 ppm2 9.095
!3HN
ASSI { 154}
(( segid " B" and resid 13 and name HA ))
(( segid " B" and resid 15 and name HB2 ))
3.725 0.745 0.745 peak 154 weight 1.00000E+00 volume 5.57429E+04 ppm1 4.230 ppm2 4.447
ASSI { 154}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 15 and name HB2 ))
3.725 0.745 0.745 peak 154 weight 1.00000E+00 volume 5.57429E+04 ppm1 4.230 ppm2 4.447
ASSI { 155}
(( segid " B" and resid 13 and name HA ))
( segid " B" and resid 13 and name HD1#)
4.294 0.859 0.859 peak 155 weight 1.00000E+00 volume 2.27381E+04 ppm1 4.212 ppm2 1.083
ASSI { 155}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 13 and name HD1#)
4.294 0.859 0.859 peak 155 weight 1.00000E+00 volume 2.27381E+04 ppm1 4.212 ppm2 1.083
ASSI { 156}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 12 and name HN ))
4.673 0.935 0.935 peak 156 weight 1.00000E+00 volume 2.60038E+04 ppm1 4.194 ppm2 8.367
ASSI { 156}
(( segid " B" and resid 13 and name HA ))
(( segid " B" and resid 12 and name HN ))
4.673 0.935 0.935 peak 156 weight 1.00000E+00 volume 2.60038E+04 ppm1 4.194 ppm2 8.367
ASSI { 158}
(( segid " A" and resid 13 and name HB1 ))
(( segid " A" and resid 17 and name HB2 ))
4.344 0.869 0.869 peak 158 weight 1.00000E+00 volume 1.68736E+04 ppm1 2.290 ppm2 2.903
ASSI { 158}
(( segid " B" and resid 13 and name HB1 ))
(( segid " B" and resid 17 and name HB2 ))
4.344 0.869 0.869 peak 158 weight 1.00000E+00 volume 1.68736E+04 ppm1 2.290 ppm2 2.903
ASSI { 161}
(( segid " A" and resid 13 and name HN ))
(( segid " B" and resid 13 and name HB1 ))
5.283 1.057 1.057 peak 161 weight 1.00000E+00 volume 1.37717E+04 ppm1 2.294 ppm2 8.832
ASSI { 161}
(( segid " B" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HB1 ))
5.283 1.057 1.057 peak 161 weight 1.00000E+00 volume 1.37717E+04 ppm1 2.294 ppm2 8.832
ASSI { 162}
(( segid " B" and resid 13 and name HA ))
(( segid " B" and resid 15 and name HB2 ))
3.725 0.745 0.745 peak 162 weight 1.00000E+00 volume 5.57429E+04 ppm1 4.230 ppm2 4.433
ASSI { 162}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 15 and name HB2 ))
3.725 0.745 0.745 peak 162 weight 1.00000E+00 volume 5.57429E+04 ppm1 4.230 ppm2 4.433
ASSI { 163}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 10 and name HA ))
6.014 1.203 1.203 peak 163 weight 1.00000E+00 volume 3.86211E+04 ppm1 4.225 ppm2 3.542
ASSI { 163}
(( segid " B" and resid 13 and name HA ))
(( segid " B" and resid 10 and name HA ))
6.014 1.203 1.203 peak 163 weight 1.00000E+00 volume 3.86211E+04 ppm1 4.225 ppm2 3.542
ASSI { 164}
(( segid " B" and resid 13 and name HA ))
( segid " B" and resid 13 and name HD1#)
4.334 0.867 0.867 peak 164 weight 1.00000E+00 volume 1.85441E+04 ppm1 4.199 ppm2 1.074
ASSI { 164}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 13 and name HD1#)
4.334 0.867 0.867 peak 164 weight 1.00000E+00 volume 1.85441E+04 ppm1 4.199 ppm2 1.074
ASSI { 172}
(( segid " A" and resid 15 and name HB2 ))
(( segid " A" and resid 19 and name HB2 ))
3.338 0.668 0.668 peak 172 weight 1.00000E+00 volume 1.59577E+05 ppm1 4.450 ppm2 3.722
ASSI { 172}
(( segid " B" and resid 15 and name HB2 ))
(( segid " B" and resid 19 and name HB2 ))
3.338 0.668 0.668 peak 172 weight 1.00000E+00 volume 1.59577E+05 ppm1 4.450 ppm2 3.722
!2HB2
! ASSI { 175}
! (( segid " A" and resid 15 and name HB2 ))
! (( segid " A" and resid 11 and name HG2 ))
! 5.204 1.041 1.041 peak 175 weight 1.00000E+00 volume 2.52309E+05 ppm1 4.459 ppm2 2.420
ASSI { 179}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 15 and name HB2 ))
2.653 0.531 0.531 peak 179 weight 1.00000E+00 volume 3.06939E+05 ppm1 4.463 ppm2 8.551
ASSI { 179}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 15 and name HB2 ))
2.653 0.531 0.531 peak 179 weight 1.00000E+00 volume 3.06939E+05 ppm1 4.463 ppm2 8.551
!10HN
ASSI { 182}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 16 and name HA ))
4.534 0.907 0.907 peak 182 weight 1.00000E+00 volume 2.96637E+04 ppm1 4.221 ppm2 4.535
ASSI { 182}
(( segid " B" and resid 19 and name HA ))
(( segid " B" and resid 16 and name HA ))
4.534 0.907 0.907 peak 182 weight 1.00000E+00 volume 2.96637E+04 ppm1 4.221 ppm2 4.535
! ASSI { 183}
! (( segid " A" and resid 16 and name HA ))
! (( segid " A" and resid 11 and name HG2 ))
! 4.323 0.865 0.865 peak 183 weight 1.00000E+00 volume 1.99992E+04 ppm1 4.229 ppm2 2.392
ASSI { 184}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HA ))
4.017 0.803 0.803 peak 184 weight 1.00000E+00 volume 4.30274E+04 ppm1 4.216 ppm2 9.070
ASSI { 184}
(( segid " B" and resid 17 and name HN ))
(( segid " B" and resid 16 and name HA ))
4.017 0.803 0.803 peak 184 weight 1.00000E+00 volume 4.30274E+04 ppm1 4.216 ppm2 9.070
!14HN
ASSI { 185}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 13 and name HB1 ))
3.335 0.667 0.667 peak 185 weight 1.00000E+00 volume 6.78405E+04 ppm1 1.897 ppm2 2.265
ASSI { 185}
(( segid " B" and resid 16 and name HB2 ))
(( segid " B" and resid 13 and name HB1 ))
3.335 0.667 0.667 peak 185 weight 1.00000E+00 volume 6.78405E+04 ppm1 1.897 ppm2 2.265
ASSI { 186}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 12 and name HB2 ))
3.756 0.751 0.751 peak 186 weight 1.00000E+00 volume 4.39621E+04 ppm1 1.880 ppm2 2.437
ASSI { 186}
(( segid " B" and resid 16 and name HB2 ))
(( segid " B" and resid 12 and name HB2 ))
3.756 0.751 0.751 peak 186 weight 1.00000E+00 volume 4.39621E+04 ppm1 1.880 ppm2 2.437
ASSI { 187}
(( segid " B" and resid 16 and name HB1 ))
(( segid " B" and resid 13 and name HB1 ))
2.926 0.585 0.585 peak 187 weight 1.00000E+00 volume 1.79497E+05 ppm1 2.069 ppm2 2.261
ASSI { 187}
(( segid " A" and resid 16 and name HB1 ))
(( segid " A" and resid 13 and name HB1 ))
2.926 0.585 0.585 peak 187 weight 1.00000E+00 volume 1.79497E+05 ppm1 2.069 ppm2 2.261
ASSI { 189}
(( segid " A" and resid 16 and name HB1 ))
( segid " A" and resid 16 and name HD1)
3.682 0.736 0.736 peak 189 weight 1.00000E+00 volume 2.81778E+04 ppm1 2.064 ppm2 0.686
ASSI { 189}
(( segid " B" and resid 16 and name HB1 ))
( segid " B" and resid 16 and name HD1)
3.682 0.736 0.736 peak 189 weight 1.00000E+00 volume 2.81778E+04 ppm1 2.064 ppm2 0.686
!27HD1#
ASSI { 190}
(( segid " B" and resid 16 and name HB1 ))
(( segid " B" and resid 16 and name HD2 ))
3.816 0.763 0.763 peak 190 weight 1.00000E+00 volume 3.04827E+04 ppm1 2.077 ppm2 0.618
ASSI { 190}
(( segid " A" and resid 16 and name HB1 ))
(( segid " A" and resid 16 and name HD2 ))
3.816 0.763 0.763 peak 190 weight 1.00000E+00 volume 3.04827E+04 ppm1 2.077 ppm2 0.618
! ASSI { 201}
! (( segid " A" and resid 20 and name HA ))
! (( segid " A" and resid 21 and name HN ))
! 5.019 1.004 1.004 peak 201 weight 1.00000E+00 volume 3.02499E+04 ppm1 4.275 ppm2 8.917
!20HN
! ASSI { 209}
! (( segid " A" and resid 11 and name HA ))
! (( segid " A" and resid 22 and name HB2 ))
! 4.718 0.944 0.944 peak 209 weight 1.00000E+00 volume 4.02785E+04 ppm1 4.182 ppm2 2.986
ASSI { 210}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 16 and name HA ))
3.901 0.780 0.780 peak 210 weight 1.00000E+00 volume 5.02658E+04 ppm1 4.193 ppm2 4.527
ASSI { 210}
(( segid " B" and resid 19 and name HA ))
(( segid " B" and resid 16 and name HA ))
3.901 0.780 0.780 peak 210 weight 1.00000E+00 volume 5.02658E+04 ppm1 4.193 ppm2 4.527
!11HA
ASSI { 214}
(( segid " B" and resid 14 and name HN ))
(( segid " B" and resid 11 and name HA ))
4.321 0.864 0.864 peak 214 weight 1.00000E+00 volume 2.57799E+04 ppm1 4.193 ppm2 9.088
ASSI { 214}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 11 and name HA ))
4.321 0.864 0.864 peak 214 weight 1.00000E+00 volume 2.57799E+04 ppm1 4.193 ppm2 9.088
ASSI { 217}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 26 and name HB1 ))
3.721 0.744 0.744 peak 217 weight 1.00000E+00 volume 2.63523E+05 ppm1 4.580 ppm2 1.998
ASSI { 217}
(( segid " B" and resid 22 and name HA ))
(( segid " B" and resid 26 and name HB1 ))
3.721 0.744 0.744 peak 217 weight 1.00000E+00 volume 2.63523E+05 ppm1 4.580 ppm2 1.998
!28HB2
ASSI { 218}
(( segid " B" and resid 22 and name HA ))
( segid " B" and resid 25 and name HB# )
2.391 0.478 0.478 peak 218 weight 1.00000E+00 volume 5.94735E+04 ppm1 4.586 ppm2 1.630
ASSI { 218}
(( segid " A" and resid 22 and name HA ))
( segid " A" and resid 25 and name HB# )
2.391 0.478 0.478 peak 218 weight 1.00000E+00 volume 5.94735E+04 ppm1 4.586 ppm2 1.630
ASSI { 219}
(( segid " B" and resid 22 and name HA ))
(( segid " B" and resid 22 and name HN ))
3.245 0.649 0.649 peak 219 weight 1.00000E+00 volume 1.54739E+05 ppm1 4.554 ppm2 7.996
ASSI { 219}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 22 and name HN ))
3.245 0.649 0.649 peak 219 weight 1.00000E+00 volume 1.54739E+05 ppm1 4.554 ppm2 7.996
! ASSI { 224}
! (( segid " B" and resid 22 and name HB1 ))
! ( segid " B" and resid 27 and name HD1#)
! 4.058 0.812 0.812 peak 224 weight 1.00000E+00 volume 3.10839E+04 ppm1 2.549 ppm2 0.616
ASSI { 225}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 24 and name HA ))
4.063 0.813 0.813 peak 225 weight 1.00000E+00 volume 2.60210E+04 ppm1 4.268 ppm2 3.552
ASSI { 225}
(( segid " B" and resid 23 and name HA ))
(( segid " B" and resid 24 and name HA ))
4.063 0.813 0.813 peak 225 weight 1.00000E+00 volume 2.60210E+04 ppm1 4.268 ppm2 3.552
ASSI { 226}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 22 and name HB2 ))
4.565 0.913 0.913 peak 226 weight 1.00000E+00 volume 3.24737E+04 ppm1 4.259 ppm2 2.991
ASSI { 226}
(( segid " B" and resid 23 and name HA ))
(( segid " B" and resid 22 and name HB2 ))
4.565 0.913 0.913 peak 226 weight 1.00000E+00 volume 3.24737E+04 ppm1 4.259 ppm2 2.991
ASSI { 229}
( segid " B" and resid 24 and name HG1#)
(( segid " A" and resid 23 and name HB2 ))
5.168 1.034 1.034 peak 229 weight 1.00000E+00 volume 2.56628E+04 ppm1 2.112 ppm2 1.172
ASSI { 229}
( segid " A" and resid 24 and name HG1#)
(( segid " B" and resid 23 and name HB2 ))
5.168 1.034 1.034 peak 229 weight 1.00000E+00 volume 2.56628E+04 ppm1 2.112 ppm2 1.172
ASSI { 230}
(( segid " A" and resid 23 and name HG2 ))
(( segid " A" and resid 26 and name HG2 ))
5.098 1.020 1.020 peak 230 weight 1.00000E+00 volume 1.99350E+04 ppm1 2.355 ppm2 2.067
ASSI { 230}
(( segid " B" and resid 23 and name HG2 ))
(( segid " B" and resid 26 and name HG2 ))
5.098 1.020 1.020 peak 230 weight 1.00000E+00 volume 1.99350E+04 ppm1 2.355 ppm2 2.067
ASSI { 231}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 23 and name HG2 ))
5.773 1.155 1.155 peak 231 weight 1.00000E+00 volume 8.28845E+03 ppm1 2.355 ppm2 4.181
ASSI { 231}
(( segid " B" and resid 25 and name HA ))
(( segid " B" and resid 23 and name HG2 ))
5.773 1.155 1.155 peak 231 weight 1.00000E+00 volume 8.28845E+03 ppm1 2.355 ppm2 4.181
ASSI { 233}
(( segid " A" and resid 24 and name HB ))
(( segid " A" and resid 23 and name HG1 ))
4.675 0.935 0.935 peak 233 weight 1.00000E+00 volume 3.13279E+04 ppm1 2.347 ppm2 2.895
ASSI { 233}
(( segid " B" and resid 24 and name HB ))
(( segid " B" and resid 23 and name HG1 ))
4.675 0.935 0.935 peak 233 weight 1.00000E+00 volume 3.13279E+04 ppm1 2.347 ppm2 2.895
!17HB2
ASSI { 237}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 24 and name HB ))
4.215 0.843 0.843 peak 237 weight 1.00000E+00 volume 2.71828E+04 ppm1 2.351 ppm2 8.005
ASSI { 237}
(( segid " B" and resid 22 and name HN ))
(( segid " B" and resid 24 and name HB ))
4.215 0.843 0.843 peak 237 weight 1.00000E+00 volume 2.71828E+04 ppm1 2.351 ppm2 8.005
ASSI { 240}
(( segid " B" and resid 25 and name HA ))
(( segid " B" and resid 27 and name HB2 ))
4.297 0.859 0.859 peak 240 weight 1.00000E+00 volume 2.10505E+04 ppm1 4.194 ppm2 1.745
ASSI { 240}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 27 and name HB2 ))
4.297 0.859 0.859 peak 240 weight 1.00000E+00 volume 2.10505E+04 ppm1 4.194 ppm2 1.745
ASSI { 241}
(( segid " B" and resid 25 and name HA ))
(( segid " B" and resid 22 and name HA ))
4.255 0.851 0.851 peak 241 weight 1.00000E+00 volume 3.63887E+04 ppm1 4.186 ppm2 4.628
ASSI { 241}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 22 and name HA ))
4.255 0.851 0.851 peak 241 weight 1.00000E+00 volume 3.63887E+04 ppm1 4.186 ppm2 4.628
ASSI { 242}
( segid " A" and resid 25 and name HB# )
(( segid " A" and resid 30 and name HB2 ))
4.169 0.834 0.834 peak 242 weight 1.00000E+00 volume 3.02819E+04 ppm1 1.648 ppm2 1.795
ASSI { 242}
( segid " A" and resid 25 and name HB# )
(( segid " A" and resid 30 and name HB2 ))
4.169 0.834 0.834 peak 242 weight 1.00000E+00 volume 3.02819E+04 ppm1 1.648 ppm2 1.795
ASSI { 245}
(( segid " B" and resid 23 and name HA ))
(( segid " B" and resid 23 and name HG2 ))
4.422 0.884 0.884 peak 245 weight 1.00000E+00 volume 1.13592E+04 ppm1 4.222 ppm2 2.392
ASSI { 245}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 23 and name HG2 ))
4.422 0.884 0.884 peak 245 weight 1.00000E+00 volume 1.13592E+04 ppm1 4.222 ppm2 2.392
ASSI { 258}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 13 and name HD2 ))
4.294 0.859 0.859 peak 258 weight 1.00000E+00 volume 2.27381E+04 ppm1 4.206 ppm2 1.079
ASSI { 258}
(( segid " B" and resid 13 and name HA ))
(( segid " B" and resid 13 and name HD2 ))
4.294 0.859 0.859 peak 258 weight 1.00000E+00 volume 2.27381E+04 ppm1 4.206 ppm2 1.079
!28HD2
ASSI { 261}
(( segid " B" and resid 32 and name HA2 ))
(( segid " B" and resid 27 and name HB1 ))
4.444 0.889 0.889 peak 261 weight 1.00000E+00 volume 3.16761E+04 ppm1 1.055 ppm2 4.163
ASSI { 261}
(( segid " A" and resid 32 and name HA2 ))
(( segid " A" and resid 27 and name HB1 ))
4.444 0.889 0.889 peak 261 weight 1.00000E+00 volume 3.16761E+04 ppm1 1.055 ppm2 4.163
ASSI { 267}
(( segid " B" and resid 32 and name HN ))
( segid " B" and resid 31 and name HG1#)
3.226 0.645 0.645 peak 267 weight 1.00000E+00 volume 2.30019E+04 ppm1 0.666 ppm2 8.009
ASSI { 267}
(( segid " A" and resid 32 and name HN ))
( segid " A" and resid 31 and name HG1#)
3.226 0.645 0.645 peak 267 weight 1.00000E+00 volume 2.30019E+04 ppm1 0.666 ppm2 8.009
!27HD1
ASSI { 272}
(( segid " A" and resid 28 and name HB1 ))
(( segid " A" and resid 28 and name HG2 ))
3.650 0.730 0.730 peak 272 weight 1.00000E+00 volume 8.55740E+03 ppm1 1.673 ppm2 1.906
ASSI { 272}
(( segid " B" and resid 28 and name HB1 ))
(( segid " B" and resid 28 and name HG2 ))
3.650 0.730 0.730 peak 272 weight 1.00000E+00 volume 8.55740E+03 ppm1 1.673 ppm2 1.906
!26HB2
ASSI { 276}
(( segid " B" and resid 28 and name HB2 ))
(( segid " B" and resid 28 and name HD2 ))
3.371 0.674 0.674 peak 276 weight 1.00000E+00 volume 7.42686E+04 ppm1 1.108 ppm2 1.465
ASSI { 276}
(( segid " A" and resid 28 and name HB2 ))
(( segid " A" and resid 28 and name HD2 ))
3.371 0.674 0.674 peak 276 weight 1.00000E+00 volume 7.42686E+04 ppm1 1.108 ppm2 1.465
! ASSI { 277}
! (( segid " A" and resid 28 and name HD2 ))
! (( segid " A" and resid 16 and name HD2 ))
! 3.746 0.749 0.749 peak 277 weight 1.00000E+00 volume 3.76220E+04 ppm1 1.112 ppm2 0.606
ASSI { 282}
(( segid " B" and resid 31 and name HN ))
(( segid " B" and resid 30 and name HA ))
3.062 0.612 0.612 peak 282 weight 1.00000E+00 volume 8.42685E+04 ppm1 4.397 ppm2 7.848
ASSI { 282}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 30 and name HA ))
3.062 0.612 0.612 peak 282 weight 1.00000E+00 volume 8.42685E+04 ppm1 4.397 ppm2 7.848
ASSI { 283}
(( segid " A" and resid 32 and name HN ))
(( segid " A" and resid 30 and name HA ))
4.069 0.814 0.814 peak 283 weight 1.00000E+00 volume 5.02715E+04 ppm1 4.384 ppm2 8.029
ASSI { 283}
(( segid " B" and resid 32 and name HN ))
(( segid " B" and resid 30 and name HA ))
4.069 0.814 0.814 peak 283 weight 1.00000E+00 volume 5.02715E+04 ppm1 4.384 ppm2 8.029
ASSI { 284}
(( segid " A" and resid 28 and name HB1 ))
(( segid " A" and resid 30 and name HB2 ))
3.225 0.645 0.645 peak 284 weight 1.00000E+00 volume 6.31767E+04 ppm1 1.792 ppm2 1.434
ASSI { 284}
(( segid " B" and resid 28 and name HB1 ))
(( segid " B" and resid 30 and name HB2 ))
3.225 0.645 0.645 peak 284 weight 1.00000E+00 volume 6.31767E+04 ppm1 1.792 ppm2 1.434
ASSI { 285}
(( segid " A" and resid 6 and name HB1 ))
( segid " A" and resid 6 and name HD1#)
3.207 0.641 0.641 peak 285 weight 1.00000E+00 volume 7.08524E+04 ppm1 1.796 ppm2 0.659
ASSI { 285}
(( segid " B" and resid 6 and name HB1 ))
( segid " B" and resid 6 and name HD1#)
3.207 0.641 0.641 peak 285 weight 1.00000E+00 volume 7.08524E+04 ppm1 1.796 ppm2 0.659
ASSI { 286}
(( segid " A" and resid 30 and name HB2 ))
(( segid " A" and resid 28 and name HA ))
3.984 0.797 0.797 peak 286 weight 1.00000E+00 volume 2.98205E+04 ppm1 1.783 ppm2 3.988
ASSI { 286}
(( segid " B" and resid 30 and name HB2 ))
(( segid " B" and resid 28 and name HA ))
3.984 0.797 0.797 peak 286 weight 1.00000E+00 volume 2.98205E+04 ppm1 1.783 ppm2 3.988
ASSI { 268}
(( segid " B" and resid 14 and name HN ))
( segid " B" and resid 13 and name HD1#)
2.993 0.799 0.799 peak 268 weight 1.00000E+00 volume 2.74379E+05 ppm1 9.042 ppm2 1.072
ASSI { 268}
(( segid " A" and resid 14 and name HN ))
( segid " A" and resid 13 and name HD1#)
2.993 0.799 0.799 peak 268 weight 1.00000E+00 volume 2.74379E+05 ppm1 9.042 ppm2 1.072
!14HD1#
ASSI { 370}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 28 and name HA ))
3.783 0.757 0.757 peak 370 weight 1.00000E+00 volume 1.43323E+05 ppm1 7.876 ppm2 3.996
ASSI { 370}
(( segid " B" and resid 31 and name HN ))
(( segid " B" and resid 28 and name HA ))
3.783 0.757 0.757 peak 370 weight 1.00000E+00 volume 1.43323E+05 ppm1 7.876 ppm2 3.996
ASSI { 225}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 6 and name HB1 ))
3.355 0.671 0.671 peak 225 weight 1.00000E+00 volume 1.65840E+05 ppm1 8.154 ppm2 1.712
ASSI { 225}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB1 ))
3.355 0.671 0.671 peak 225 weight 1.00000E+00 volume 1.65840E+05 ppm1 8.154 ppm2 1.712
ASSI { 347}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 21 and name HN ))
4.226 0.845 0.845 peak 347 weight 1.00000E+00 volume 4.64054E+04 ppm1 8.226 ppm2 8.971
ASSI { 347}
(( segid " B" and resid 23 and name HN ))
(( segid " B" and resid 21 and name HN ))
4.226 0.845 0.845 peak 347 weight 1.00000E+00 volume 4.64054E+04 ppm1 8.226 ppm2 8.971
ASSI { 290}
(( segid " B" and resid 29 and name HN ))
(( segid " B" and resid 28 and name HA ))
4.131 0.826 0.826 peak 290 weight 1.00000E+00 volume 7.44844E+04 ppm1 7.415 ppm2 4.009
ASSI { 290}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 28 and name HA ))
4.131 0.826 0.826 peak 290 weight 1.00000E+00 volume 7.44844E+04 ppm1 7.415 ppm2 4.009
ASSI { 254}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 4 and name HN ))
2.979 0.596 0.596 peak 254 weight 1.00000E+00 volume 3.58248E+05 ppm1 7.969 ppm2 8.463
ASSI { 254}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 4 and name HN ))
2.979 0.596 0.596 peak 254 weight 1.00000E+00 volume 3.58248E+05 ppm1 7.969 ppm2 8.463
ASSI { 122}
(( segid " B" and resid 29 and name HA ))
(( segid " B" and resid 30 and name HN ))
3.027 0.605 0.605 peak 122 weight 1.00000E+00 volume 1.81736E+05 ppm1 7.758 ppm2 4.269
ASSI { 122}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 30 and name HN ))
3.027 0.605 0.605 peak 122 weight 1.00000E+00 volume 1.81736E+05 ppm1 7.758 ppm2 4.269
!31HA
ASSI { 281}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 23 and name HN ))
3.120 0.624 0.624 peak 281 weight 1.00000E+00 volume 3.87753E+05 ppm1 8.776 ppm2 8.201
ASSI { 281}
(( segid " B" and resid 24 and name HN ))
(( segid " B" and resid 23 and name HN ))
3.120 0.624 0.624 peak 281 weight 1.00000E+00 volume 3.87753E+05 ppm1 8.776 ppm2 8.201
ASSI { 248}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HG2 ))
2.939 0.588 0.588 peak 248 weight 1.00000E+00 volume 4.89189E+05 ppm1 7.968 ppm2 2.355
ASSI { 248}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 5 and name HG2 ))
2.939 0.588 0.588 peak 248 weight 1.00000E+00 volume 4.89189E+05 ppm1 7.968 ppm2 2.355
ASSI { 152}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 31 and name HB ))
3.405 0.681 0.681 peak 152 weight 1.00000E+00 volume 1.86930E+05 ppm1 7.873 ppm2 2.170
ASSI { 152}
(( segid " B" and resid 31 and name HN ))
(( segid " B" and resid 31 and name HB ))
3.405 0.681 0.681 peak 152 weight 1.00000E+00 volume 1.86930E+05 ppm1 7.873 ppm2 2.170
ASSI { 196}
(( segid " B" and resid 19 and name HN ))
(( segid " B" and resid 17 and name HN ))
4.137 0.827 0.827 peak 196 weight 1.00000E+00 volume 4.69438E+04 ppm1 8.971 ppm2 8.195
ASSI { 196}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 17 and name HN ))
4.137 0.827 0.827 peak 196 weight 1.00000E+00 volume 4.69438E+04 ppm1 8.971 ppm2 8.195
ASSI { 181}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 22 and name HB2 ))
2.788 0.558 0.558 peak 181 weight 1.00000E+00 volume 5.04391E+05 ppm1 7.967 ppm2 2.969
ASSI { 181}
(( segid " B" and resid 22 and name HN ))
(( segid " B" and resid 22 and name HB2 ))
2.788 0.558 0.558 peak 181 weight 1.00000E+00 volume 5.04391E+05 ppm1 7.967 ppm2 2.969
! ASSI { 373}
! (( segid " B" and resid 32 and name HN ))
! (( segid " B" and resid 27 and name HN ))
! 3.320 0.964 0.964 peak 373 weight 1.00000E+00 volume 9.79485E+04 ppm1 8.036 ppm2 8.598
ASSI { 167}
(( segid " B" and resid 27 and name HN ))
(( segid " B" and resid 26 and name HG2 ))
2.634 0.527 0.527 peak 167 weight 1.00000E+00 volume 7.00630E+05 ppm1 8.566 ppm2 2.081
ASSI { 167}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 26 and name HG2 ))
2.634 0.527 0.527 peak 167 weight 1.00000E+00 volume 7.00630E+05 ppm1 8.566 ppm2 2.081
!29HB2
ASSI { 148}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HA ))
3.122 0.624 0.624 peak 148 weight 1.00000E+00 volume 2.26651E+05 ppm1 7.970 ppm2 4.236
ASSI { 148}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 5 and name HA ))
3.122 0.624 0.624 peak 148 weight 1.00000E+00 volume 2.26651E+05 ppm1 7.970 ppm2 4.236
ASSI { 171}
(( segid " B" and resid 27 and name HN ))
(( segid " B" and resid 25 and name HN ))
3.421 0.684 0.684 peak 171 weight 1.00000E+00 volume 1.97576E+05 ppm1 7.950 ppm2 8.557
ASSI { 171}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 25 and name HN ))
3.421 0.684 0.684 peak 171 weight 1.00000E+00 volume 1.97576E+05 ppm1 7.950 ppm2 8.557
!26HN
ASSI { 191}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 19 and name HN ))
3.103 0.621 0.621 peak 191 weight 1.00000E+00 volume 3.05032E+05 ppm1 8.895 ppm2 8.210
ASSI { 191}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 19 and name HN ))
3.103 0.621 0.621 peak 191 weight 1.00000E+00 volume 3.05032E+05 ppm1 8.895 ppm2 8.210
ASSI { 206}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 13 and name HN ))
4.460 0.892 0.892 peak 206 weight 1.00000E+00 volume 1.46458E+05 ppm1 8.789 ppm2 9.017
ASSI { 206}
(( segid " B" and resid 17 and name HN ))
(( segid " B" and resid 13 and name HN ))
4.460 0.892 0.892 peak 206 weight 1.00000E+00 volume 1.46458E+05 ppm1 8.789 ppm2 9.017
!14HN
ASSI { 348}
(( segid " B" and resid 23 and name HN ))
(( segid " B" and resid 22 and name HA ))
3.721 0.744 0.744 peak 348 weight 1.00000E+00 volume 5.17551E+04 ppm1 8.223 ppm2 4.576
ASSI { 348}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 22 and name HA ))
3.721 0.744 0.744 peak 348 weight 1.00000E+00 volume 5.17551E+04 ppm1 8.223 ppm2 4.576
ASSI { 153}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 32 and name HN ))
3.584 0.917 0.917 peak 153 weight 1.00000E+00 volume 2.18596E+05 ppm1 7.873 ppm2 8.095
ASSI { 153}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 32 and name HN ))
3.584 0.917 0.917 peak 153 weight 1.00000E+00 volume 2.18596E+05 ppm1 7.873 ppm2 8.095
!9HN
ASSI { 221}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HB2 ))
2.938 0.588 0.588 peak 221 weight 1.00000E+00 volume 1.97447E+05 ppm1 8.759 ppm2 2.244
ASSI { 221}
(( segid " B" and resid 7 and name HN ))
(( segid " B" and resid 7 and name HB2 ))
2.938 0.588 0.588 peak 221 weight 1.00000E+00 volume 1.97447E+05 ppm1 8.759 ppm2 2.244
ASSI { 228}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 4 and name HN ))
3.212 0.642 0.642 peak 228 weight 1.00000E+00 volume 3.60320E+05 ppm1 8.420 ppm2 8.001
ASSI { 228}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 4 and name HN ))
3.212 0.642 0.642 peak 228 weight 1.00000E+00 volume 3.60320E+05 ppm1 8.420 ppm2 8.001
ASSI { 341}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HB2 ))
3.660 0.732 0.732 peak 341 weight 1.00000E+00 volume 9.41998E+04 ppm1 8.973 ppm2 2.896
ASSI { 341}
(( segid " B" and resid 17 and name HN ))
(( segid " B" and resid 17 and name HB2 ))
3.660 0.732 0.732 peak 341 weight 1.00000E+00 volume 9.41998E+04 ppm1 8.973 ppm2 2.896
!21HN
ASSI { 356}
(( segid " B" and resid 25 and name HN ))
( segid " B" and resid 24 and name HG12)
3.109 0.622 0.622 peak 356 weight 1.00000E+00 volume 1.46492E+05 ppm1 7.885 ppm2 1.074
ASSI { 356}
(( segid " A" and resid 25 and name HN ))
( segid " A" and resid 24 and name HG12)
3.109 0.622 0.622 peak 356 weight 1.00000E+00 volume 1.46492E+05 ppm1 7.885 ppm2 1.074
!20HD1#
ASSI { 175}
(( segid " B" and resid 24 and name HN ))
(( segid " B" and resid 24 and name HB ))
2.780 0.556 0.556 peak 175 weight 1.00000E+00 volume 5.16509E+05 ppm1 8.779 ppm2 2.348
ASSI { 175}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 24 and name HB ))
2.780 0.556 0.556 peak 175 weight 1.00000E+00 volume 5.16509E+05 ppm1 8.779 ppm2 2.348
ASSI { 241}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 15 and name HN ))
3.188 0.638 0.638 peak 241 weight 1.00000E+00 volume 2.50381E+05 ppm1 8.461 ppm2 7.914
ASSI { 241}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 15 and name HN ))
3.188 0.638 0.638 peak 241 weight 1.00000E+00 volume 2.50381E+05 ppm1 8.461 ppm2 7.914
ASSI { 275}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 21 and name HN ))
3.399 0.680 0.680 peak 275 weight 1.00000E+00 volume 1.67919E+05 ppm1 7.964 ppm2 8.971
ASSI { 275}
(( segid " B" and resid 22 and name HN ))
(( segid " B" and resid 21 and name HN ))
3.399 0.680 0.680 peak 275 weight 1.00000E+00 volume 1.67919E+05 ppm1 7.964 ppm2 8.971
ASSI { 125}
(( segid " B" and resid 27 and name HA ))
(( segid " B" and resid 27 and name HN ))
3.098 0.620 0.620 peak 125 weight 1.00000E+00 volume 3.17710E+05 ppm1 8.567 ppm2 4.209
ASSI { 125}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 27 and name HN ))
3.098 0.620 0.620 peak 125 weight 1.00000E+00 volume 3.17710E+05 ppm1 8.567 ppm2 4.209
ASSI { 291}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 29 and name HN ))
2.958 0.592 0.592 peak 291 weight 1.00000E+00 volume 1.89879E+05 ppm1 7.761 ppm2 7.428
ASSI { 291}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 29 and name HN ))
2.958 0.592 0.592 peak 291 weight 1.00000E+00 volume 1.89879E+05 ppm1 7.761 ppm2 7.428
ASSI { 204}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 14 and name HN ))
4.365 0.873 0.873 peak 204 weight 1.00000E+00 volume 6.83601E+04 ppm1 9.040 ppm2 8.469
ASSI { 204}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 14 and name HN ))
4.365 0.873 0.873 peak 204 weight 1.00000E+00 volume 6.83601E+04 ppm1 9.040 ppm2 8.469
ASSI { 296}
(( segid " B" and resid 2 and name HN ))
(( segid " B" and resid 5 and name HG2 ))
3.424 0.685 0.685 peak 296 weight 1.00000E+00 volume 2.48513E+05 ppm1 8.809 ppm2 2.356
ASSI { 296}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 5 and name HG2 ))
3.424 0.685 0.685 peak 296 weight 1.00000E+00 volume 2.48513E+05 ppm1 8.809 ppm2 2.356
!21HB2
ASSI { 318}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 10 and name HN ))
3.786 0.757 0.757 peak 318 weight 1.00000E+00 volume 1.11434E+05 ppm1 8.525 ppm2 4.100
ASSI { 318}
(( segid " B" and resid 7 and name HA ))
(( segid " B" and resid 10 and name HN ))
3.786 0.757 0.757 peak 318 weight 1.00000E+00 volume 1.11434E+05 ppm1 8.525 ppm2 4.100
ASSI { 222}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HB1 ))
3.265 0.653 0.653 peak 222 weight 1.00000E+00 volume 2.27169E+05 ppm1 8.762 ppm2 2.442
ASSI { 222}
(( segid " B" and resid 7 and name HN ))
(( segid " B" and resid 7 and name HB1 ))
3.265 0.653 0.653 peak 222 weight 1.00000E+00 volume 2.27169E+05 ppm1 8.762 ppm2 2.442
ASSI { 147}
(( segid " B" and resid 6 and name HA ))
(( segid " B" and resid 6 and name HN ))
3.067 0.613 0.613 peak 147 weight 1.00000E+00 volume 2.24636E+05 ppm1 8.152 ppm2 4.305
ASSI { 147}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HN ))
3.067 0.613 0.613 peak 147 weight 1.00000E+00 volume 2.24636E+05 ppm1 8.152 ppm2 4.305
ASSI { 160}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 29 and name HN ))
3.333 0.667 0.667 peak 160 weight 1.00000E+00 volume 6.22291E+04 ppm1 7.414 ppm2 7.717
ASSI { 160}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 29 and name HN ))
3.333 0.667 0.667 peak 160 weight 1.00000E+00 volume 6.22291E+04 ppm1 7.414 ppm2 7.717
ASSI { 234}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 20 and name HB2 ))
3.655 0.731 0.731 peak 234 weight 1.00000E+00 volume 1.35584E+05 ppm1 8.895 ppm2 1.460
ASSI { 234}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 20 and name HB2 ))
3.655 0.731 0.731 peak 234 weight 1.00000E+00 volume 1.35584E+05 ppm1 8.895 ppm2 1.460
ASSI { 177}
(( segid " B" and resid 25 and name HN ))
(( segid " B" and resid 24 and name HN ))
3.145 0.629 0.629 peak 177 weight 1.00000E+00 volume 2.03782E+05 ppm1 8.781 ppm2 7.911
ASSI { 177}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 24 and name HN ))
3.145 0.629 0.629 peak 177 weight 1.00000E+00 volume 2.03782E+05 ppm1 8.781 ppm2 7.911
ASSI { 231}
(( segid " B" and resid 4 and name HN ))
(( segid " B" and resid 3 and name HN ))
3.526 0.705 0.705 peak 231 weight 1.00000E+00 volume 2.13870E+05 ppm1 9.070 ppm2 8.458
ASSI { 231}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 3 and name HN ))
3.526 0.705 0.705 peak 231 weight 1.00000E+00 volume 2.13870E+05 ppm1 9.070 ppm2 8.458
ASSI { 184}
(( segid " B" and resid 22 and name HN ))
(( segid " B" and resid 21 and name HN ))
3.380 0.676 0.676 peak 184 weight 1.00000E+00 volume 1.34557E+05 ppm1 8.975 ppm2 7.997
ASSI { 184}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 21 and name HN ))
3.380 0.676 0.676 peak 184 weight 1.00000E+00 volume 1.34557E+05 ppm1 8.975 ppm2 7.997
ASSI { 190}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HB2 ))
3.452 0.690 0.690 peak 190 weight 1.00000E+00 volume 1.31023E+05 ppm1 8.221 ppm2 2.098
ASSI { 190}
(( segid " B" and resid 23 and name HN ))
(( segid " B" and resid 23 and name HB2 ))
3.452 0.690 0.690 peak 190 weight 1.00000E+00 volume 1.31023E+05 ppm1 8.221 ppm2 2.098
ASSI { 305}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 3 and name HN ))
3.823 0.965 0.965 peak 305 weight 1.00000E+00 volume 1.50251E+05 ppm1 9.069 ppm2 4.092
ASSI { 305}
(( segid " B" and resid 2 and name HA ))
(( segid " B" and resid 3 and name HN ))
3.823 0.965 0.965 peak 305 weight 1.00000E+00 volume 1.50251E+05 ppm1 9.069 ppm2 4.092
ASSI { 338}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 18 and name HN ))
3.468 0.994 0.994 peak 338 weight 1.00000E+00 volume 1.18637E+05 ppm1 8.978 ppm2 8.472
ASSI { 338}
(( segid " B" and resid 21 and name HN ))
(( segid " B" and resid 18 and name HN ))
3.468 0.994 0.994 peak 338 weight 1.00000E+00 volume 1.18637E+05 ppm1 8.978 ppm2 8.472
! ASSI { 334}
! (( segid " B" and resid 18 and name HN ))
! (( segid " B" and resid 7 and name HN ))
! 4.476 0.895 0.895 peak 334 weight 1.00000E+00 volume 1.08702E+05 ppm1 8.463 ppm2 8.737
ASSI { 332}
(( segid " A" and resid 15 and name HN ))
( segid " A" and resid 14 and name HD1#)
4.010 0.802 0.802 peak 332 weight 1.00000E+00 volume 8.74620E+04 ppm1 7.902 ppm2 1.075
ASSI { 332}
(( segid " B" and resid 15 and name HN ))
( segid " B" and resid 14 and name HD1#)
4.010 0.802 0.802 peak 332 weight 1.00000E+00 volume 8.74620E+04 ppm1 7.902 ppm2 1.075
ASSI { 292}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 29 and name HD2 ))
3.264 0.653 0.653 peak 292 weight 1.00000E+00 volume 2.68751E+05 ppm1 7.758 ppm2 1.081
ASSI { 292}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 29 and name HD2 ))
3.264 0.653 0.653 peak 292 weight 1.00000E+00 volume 2.68751E+05 ppm1 7.758 ppm2 1.081
!28HD2
ASSI { 251}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 9 and name HA ))
3.496 0.699 0.699 peak 251 weight 1.00000E+00 volume 1.54144E+05 ppm1 8.418 ppm2 4.357
ASSI { 251}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 9 and name HA ))
3.496 0.699 0.699 peak 251 weight 1.00000E+00 volume 1.54144E+05 ppm1 8.418 ppm2 4.357
!3HA
ASSI { 240}
(( segid " B" and resid 17 and name HN ))
(( segid " B" and resid 17 and name HB1 ))
3.249 0.650 0.650 peak 240 weight 1.00000E+00 volume 2.53108E+05 ppm1 8.964 ppm2 3.442
ASSI { 240}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HB1 ))
3.249 0.650 0.650 peak 240 weight 1.00000E+00 volume 2.53108E+05 ppm1 8.964 ppm2 3.442
ASSI { 123}
(( segid " B" and resid 29 and name HN ))
(( segid " B" and resid 29 and name HA ))
3.011 0.602 0.602 peak 123 weight 1.00000E+00 volume 3.12541E+05 ppm1 7.416 ppm2 4.243
ASSI { 123}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 29 and name HA ))
3.011 0.602 0.602 peak 123 weight 1.00000E+00 volume 3.12541E+05 ppm1 7.416 ppm2 4.243
ASSI { 273}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 19 and name HA ))
3.520 0.704 0.704 peak 273 weight 1.00000E+00 volume 1.16300E+05 ppm1 8.896 ppm2 4.537
ASSI { 273}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 19 and name HA ))
3.520 0.704 0.704 peak 273 weight 1.00000E+00 volume 1.16300E+05 ppm1 8.896 ppm2 4.537
ASSI { 189}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 26 and name HG2 ))
2.674 0.535 0.535 peak 189 weight 1.00000E+00 volume 4.81203E+05 ppm1 7.948 ppm2 2.084
ASSI { 189}
(( segid " B" and resid 26 and name HN ))
(( segid " B" and resid 26 and name HG2 ))
2.674 0.535 0.535 peak 189 weight 1.00000E+00 volume 4.81203E+05 ppm1 7.948 ppm2 2.084
ASSI { 325}
(( segid " B" and resid 13 and name HN ))
(( segid " B" and resid 9 and name HA ))
3.732 0.746 0.746 peak 325 weight 1.00000E+00 volume 8.06698E+04 ppm1 8.790 ppm2 4.334
ASSI { 325}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 9 and name HA ))
3.732 0.746 0.746 peak 325 weight 1.00000E+00 volume 8.06698E+04 ppm1 8.790 ppm2 4.334
ASSI { 193}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 18 and name HN ))
2.930 0.586 0.586 peak 193 weight 1.00000E+00 volume 5.50767E+05 ppm1 8.462 ppm2 8.188
ASSI { 193}
(( segid " B" and resid 19 and name HN ))
(( segid " B" and resid 18 and name HN ))
2.930 0.586 0.586 peak 193 weight 1.00000E+00 volume 5.50767E+05 ppm1 8.462 ppm2 8.188
ASSI { 252}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HB1 ))
3.153 0.631 0.631 peak 252 weight 1.00000E+00 volume 2.28487E+05 ppm1 8.421 ppm2 2.280
ASSI { 252}
(( segid " B" and resid 4 and name HN ))
(( segid " B" and resid 4 and name HB1 ))
3.153 0.631 0.631 peak 252 weight 1.00000E+00 volume 2.28487E+05 ppm1 8.421 ppm2 2.280
ASSI { 336}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 17 and name HB2 ))
3.298 0.660 0.660 peak 336 weight 1.00000E+00 volume 1.99063E+05 ppm1 8.466 ppm2 2.896
ASSI { 336}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HB2 ))
3.298 0.660 0.660 peak 336 weight 1.00000E+00 volume 1.99063E+05 ppm1 8.466 ppm2 2.896
ASSI { 256}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 6 and name HN ))
3.322 0.664 0.664 peak 256 weight 1.00000E+00 volume 2.14394E+05 ppm1 8.762 ppm2 8.183
ASSI { 256}
(( segid " B" and resid 7 and name HN ))
(( segid " B" and resid 6 and name HN ))
3.322 0.664 0.664 peak 256 weight 1.00000E+00 volume 2.14394E+05 ppm1 8.762 ppm2 8.183
ASSI { 337}
(( segid " A" and resid 20 and name HN ))
( segid " A" and resid 16 and name HD1#)
3.197 0.639 0.639 peak 337 weight 1.00000E+00 volume 2.07742E+05 ppm1 8.894 ppm2 1.083
ASSI { 337}
(( segid " B" and resid 20 and name HN ))
( segid " B" and resid 16 and name HD1#)
3.197 0.639 0.639 peak 337 weight 1.00000E+00 volume 2.07742E+05 ppm1 8.894 ppm2 1.083
!14HD1#, 20HD1
ASSI { 186}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HB2 ))
2.955 0.591 0.591 peak 186 weight 1.00000E+00 volume 2.92716E+05 ppm1 7.761 ppm2 1.815
ASSI { 186}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 30 and name HB2 ))
2.955 0.591 0.591 peak 186 weight 1.00000E+00 volume 2.92716E+05 ppm1 7.761 ppm2 1.815
ASSI { 265}
(( segid " B" and resid 13 and name HN ))
(( segid " B" and resid 13 and name HG ))
3.060 0.612 0.612 peak 265 weight 1.00000E+00 volume 2.39902E+05 ppm1 8.789 ppm2 2.087
ASSI { 265}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HG ))
3.060 0.612 0.612 peak 265 weight 1.00000E+00 volume 2.39902E+05 ppm1 8.789 ppm2 2.087
ASSI { 245}
(( segid " B" and resid 13 and name HN ))
(( segid " B" and resid 13 and name HB1 ))
3.654 0.731 0.731 peak 245 weight 1.00000E+00 volume 1.00874E+05 ppm1 8.790 ppm2 1.437
ASSI { 245}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HB1 ))
3.654 0.731 0.731 peak 245 weight 1.00000E+00 volume 1.00874E+05 ppm1 8.790 ppm2 1.437
ASSI { 165}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HG ))
2.897 0.579 0.579 peak 165 weight 1.00000E+00 volume 4.44342E+05 ppm1 7.761 ppm2 2.135
ASSI { 165}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 30 and name HG ))
2.897 0.579 0.579 peak 165 weight 1.00000E+00 volume 4.44342E+05 ppm1 7.761 ppm2 2.135
ASSI { 212}
(( segid " B" and resid 11 and name HN ))
(( segid " B" and resid 10 and name HN ))
2.977 0.595 0.595 peak 212 weight 1.00000E+00 volume 6.49000E+04 ppm1 8.521 ppm2 7.989
ASSI { 212}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 10 and name HN ))
2.977 0.595 0.595 peak 212 weight 1.00000E+00 volume 6.49000E+04 ppm1 8.521 ppm2 7.989
ASSI { 2}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 31 and name HA ))
2.980 0.596 0.596 peak 2 weight 1.00000E+00 volume 2.77860E+05 ppm1 7.875 ppm2 4.247
ASSI { 2}
(( segid " B" and resid 31 and name HN ))
(( segid " B" and resid 31 and name HA ))
2.980 0.596 0.596 peak 2 weight 1.00000E+00 volume 2.77860E+05 ppm1 7.875 ppm2 4.247
ASSI { 131}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 21 and name HN ))
3.338 0.668 0.668 peak 131 weight 1.00000E+00 volume 1.18427E+05 ppm1 8.979 ppm2 4.153
ASSI { 131}
(( segid " B" and resid 21 and name HA ))
(( segid " B" and resid 21 and name HN ))
3.338 0.668 0.668 peak 131 weight 1.00000E+00 volume 1.18427E+05 ppm1 8.979 ppm2 4.153
ASSI { 188}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 30 and name HB1 ))
3.455 0.691 0.691 peak 188 weight 1.00000E+00 volume 1.67383E+05 ppm1 8.923 ppm2 1.448
ASSI { 188}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 30 and name HB1 ))
3.455 0.691 0.691 peak 188 weight 1.00000E+00 volume 1.67383E+05 ppm1 8.923 ppm2 1.448
ASSI { 205}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 13 and name HN ))
3.323 0.665 0.665 peak 205 weight 1.00000E+00 volume 1.68700E+05 ppm1 8.789 ppm2 4.181
ASSI { 205}
(( segid " B" and resid 13 and name HA ))
(( segid " B" and resid 13 and name HN ))
3.323 0.665 0.665 peak 205 weight 1.00000E+00 volume 1.68700E+05 ppm1 8.789 ppm2 4.181
! ASSI { 135}
! (( segid " B" and resid 19 and name HA ))
! (( segid " B" and resid 17 and name HN ))
! 3.336 0.667 0.667 peak 135 weight 1.00000E+00 volume 1.85617E+05 ppm1 8.966 ppm2 4.504
!18HA
ASSI { 140}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HN ))
2.907 0.581 0.581 peak 140 weight 1.00000E+00 volume 2.59532E+05 ppm1 8.355 ppm2 4.288
ASSI { 140}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 12 and name HN ))
2.907 0.581 0.581 peak 140 weight 1.00000E+00 volume 2.59532E+05 ppm1 8.355 ppm2 4.288
ASSI { 244}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HB2 ))
2.995 0.599 0.599 peak 244 weight 1.00000E+00 volume 2.41046E+05 ppm1 9.039 ppm2 2.072
ASSI { 244}
(( segid " B" and resid 14 and name HN ))
(( segid " B" and resid 14 and name HB2 ))
2.995 0.599 0.599 peak 244 weight 1.00000E+00 volume 2.41046E+05 ppm1 9.039 ppm2 2.072
ASSI { 266}
(( segid " B" and resid 13 and name HN ))
(( segid " B" and resid 13 and name HB1 ))
3.008 0.602 0.602 peak 266 weight 1.00000E+00 volume 2.10493E+05 ppm1 8.789 ppm2 2.269
ASSI { 266}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HB1 ))
3.008 0.602 0.602 peak 266 weight 1.00000E+00 volume 2.10493E+05 ppm1 8.789 ppm2 2.269
ASSI { 174}
(( segid " B" and resid 26 and name HN ))
(( segid " B" and resid 25 and name HN ))
2.188 0.438 0.438 peak 174 weight 1.00000E+00 volume 2.28088E+06 ppm1 7.887 ppm2 7.938
ASSI { 174}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 25 and name HN ))
2.188 0.438 0.438 peak 174 weight 1.00000E+00 volume 2.28088E+06 ppm1 7.887 ppm2 7.938
ASSI { 166}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HB2 ))
2.816 0.563 0.563 peak 166 weight 1.00000E+00 volume 3.01568E+05 ppm1 7.763 ppm2 1.908
ASSI { 166}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 30 and name HB2 ))
2.816 0.563 0.563 peak 166 weight 1.00000E+00 volume 3.01568E+05 ppm1 7.763 ppm2 1.908
!16HB2
ASSI { 329}
(( segid " B" and resid 19 and name HN ))
(( segid " B" and resid 22 and name HN ))
3.539 0.908 0.908 peak 329 weight 1.00000E+00 volume 1.51591E+05 ppm1 7.899 ppm2 8.198
ASSI { 329}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 22 and name HN ))
3.539 0.908 0.908 peak 329 weight 1.00000E+00 volume 1.51591E+05 ppm1 7.899 ppm2 8.198
!15HN
ASSI { 144}
(( segid " B" and resid 9 and name HA ))
(( segid " B" and resid 9 and name HN ))
3.102 0.620 0.620 peak 144 weight 1.00000E+00 volume 2.50561E+05 ppm1 8.143 ppm2 4.331
ASSI { 144}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HN ))
3.102 0.620 0.620 peak 144 weight 1.00000E+00 volume 2.50561E+05 ppm1 8.143 ppm2 4.331
ASSI { 132}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 20 and name HN ))
3.314 0.663 0.663 peak 132 weight 1.00000E+00 volume 1.89247E+05 ppm1 8.896 ppm2 4.266
ASSI { 132}
(( segid " B" and resid 20 and name HA ))
(( segid " B" and resid 20 and name HN ))
3.314 0.663 0.663 peak 132 weight 1.00000E+00 volume 1.89247E+05 ppm1 8.896 ppm2 4.266
ASSI { 340}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 19 and name HA ))
3.826 0.765 0.765 peak 340 weight 1.00000E+00 volume 8.86994E+04 ppm1 8.978 ppm2 4.529
ASSI { 340}
(( segid " B" and resid 21 and name HN ))
(( segid " B" and resid 19 and name HA ))
3.826 0.765 0.765 peak 340 weight 1.00000E+00 volume 8.86994E+04 ppm1 8.978 ppm2 4.529
ASSI { 136}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 12 and name HA ))
2.914 0.583 0.583 peak 136 weight 1.00000E+00 volume 2.65520E+05 ppm1 8.464 ppm2 4.322
ASSI { 136}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 12 and name HA ))
2.914 0.583 0.583 peak 136 weight 1.00000E+00 volume 2.65520E+05 ppm1 8.464 ppm2 4.322
ASSI { 141}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 11 and name HN ))
3.219 0.644 0.644 peak 141 weight 1.00000E+00 volume 1.23192E+05 ppm1 8.022 ppm2 4.197
ASSI { 141}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HN ))
3.219 0.644 0.644 peak 141 weight 1.00000E+00 volume 1.23192E+05 ppm1 8.022 ppm2 4.197
ASSI { 236}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 20 and name HG ))
3.292 0.658 0.658 peak 236 weight 1.00000E+00 volume 2.89183E+05 ppm1 8.893 ppm2 2.084
ASSI { 236}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 20 and name HG ))
3.292 0.658 0.658 peak 236 weight 1.00000E+00 volume 2.89183E+05 ppm1 8.893 ppm2 2.084
ASSI { 150}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 3 and name HN ))
3.011 0.602 0.602 peak 150 weight 1.00000E+00 volume 4.30044E+05 ppm1 9.070 ppm2 4.322
ASSI { 150}
(( segid " B" and resid 3 and name HA ))
(( segid " B" and resid 3 and name HN ))
3.011 0.602 0.602 peak 150 weight 1.00000E+00 volume 4.30044E+05 ppm1 9.070 ppm2 4.322
!12HA
ASSI { 319}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 9 and name HA ))
3.743 0.749 0.749 peak 319 weight 1.00000E+00 volume 8.27812E+04 ppm1 8.525 ppm2 4.339
ASSI { 319}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HA ))
3.743 0.749 0.749 peak 319 weight 1.00000E+00 volume 8.27812E+04 ppm1 8.525 ppm2 4.339
ASSI { 320}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 11 and name HG1 ))
3.003 0.601 0.601 peak 320 weight 1.00000E+00 volume 3.51845E+05 ppm1 8.522 ppm2 2.443
ASSI { 320}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 11 and name HG1 ))
3.003 0.601 0.601 peak 320 weight 1.00000E+00 volume 3.51845E+05 ppm1 8.522 ppm2 2.443
!7HB1
ASSI { 335}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 17 and name HA ))
3.819 0.764 0.764 peak 335 weight 1.00000E+00 volume 6.16577E+04 ppm1 8.460 ppm2 4.185
ASSI { 335}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HA ))
3.819 0.764 0.764 peak 335 weight 1.00000E+00 volume 6.16577E+04 ppm1 8.460 ppm2 4.185
ASSI { 213}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HN ))
3.408 0.682 0.682 peak 213 weight 1.00000E+00 volume 3.27585E+05 ppm1 8.141 ppm2 8.549
ASSI { 213}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 9 and name HN ))
3.408 0.682 0.682 peak 213 weight 1.00000E+00 volume 3.27585E+05 ppm1 8.141 ppm2 8.549
ASSI { 267}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HB1 ))
3.317 0.663 0.663 peak 267 weight 1.00000E+00 volume 1.51152E+05 ppm1 9.039 ppm2 1.636
ASSI { 267}
(( segid " B" and resid 14 and name HN ))
(( segid " B" and resid 14 and name HB1 ))
3.317 0.663 0.663 peak 267 weight 1.00000E+00 volume 1.51152E+05 ppm1 9.039 ppm2 1.636
ASSI { 238}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 18 and name HB2 ))
3.084 0.617 0.617 peak 238 weight 1.00000E+00 volume 2.22681E+05 ppm1 8.189 ppm2 3.361
ASSI { 238}
(( segid " B" and resid 19 and name HN ))
(( segid " B" and resid 18 and name HB2 ))
3.084 0.617 0.617 peak 238 weight 1.00000E+00 volume 2.22681E+05 ppm1 8.189 ppm2 3.361
ASSI { 258}
(( segid " B" and resid 9 and name HN ))
(( segid " B" and resid 9 and name HB1 ))
2.856 0.571 0.571 peak 258 weight 1.00000E+00 volume 3.25618E+05 ppm1 8.141 ppm2 2.255
ASSI { 258}
(( segid " A" and resid 9 and name HN ))
(( segid " A" and resid 9 and name HB1 ))
2.856 0.571 0.571 peak 258 weight 1.00000E+00 volume 3.25618E+05 ppm1 8.141 ppm2 2.255
! ASSI { 346}
! (( segid " A" and resid 23 and name HN ))
! (( segid " A" and resid 18 and name HN ))
! 3.774 0.755 0.755 peak 346 weight 1.00000E+00 volume 1.08151E+05 ppm1 8.220 ppm2 8.459
ASSI { 277}
(( segid " B" and resid 21 and name HA ))
(( segid " B" and resid 22 and name HN ))
3.833 0.767 0.767 peak 277 weight 1.00000E+00 volume 1.03389E+05 ppm1 7.966 ppm2 4.181
ASSI { 277}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 22 and name HN ))
3.833 0.767 0.767 peak 277 weight 1.00000E+00 volume 1.03389E+05 ppm1 7.966 ppm2 4.181
!25HA
ASSI { 169}
(( segid " B" and resid 27 and name HN ))
(( segid " B" and resid 27 and name HB2 ))
3.781 0.956 0.956 peak 169 weight 1.00000E+00 volume 1.08332E+05 ppm1 8.569 ppm2 1.735
ASSI { 169}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 27 and name HB2 ))
3.781 0.956 0.956 peak 169 weight 1.00000E+00 volume 1.08332E+05 ppm1 8.569 ppm2 1.735
ASSI { 253}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HB2 ))
2.920 0.584 0.584 peak 253 weight 1.00000E+00 volume 2.29476E+05 ppm1 7.966 ppm2 1.982
ASSI { 253}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 5 and name HB2 ))
2.920 0.584 0.584 peak 253 weight 1.00000E+00 volume 2.29476E+05 ppm1 7.966 ppm2 1.982
ASSI { 142}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 10 and name HA ))
3.561 0.712 0.712 peak 142 weight 1.00000E+00 volume 8.04979E+04 ppm1 8.529 ppm2 3.586
ASSI { 142}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HA ))
3.561 0.712 0.712 peak 142 weight 1.00000E+00 volume 8.04979E+04 ppm1 8.529 ppm2 3.586
ASSI { 286}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 27 and name HB2 ))
3.018 0.604 0.604 peak 286 weight 1.00000E+00 volume 2.84914E+05 ppm1 7.948 ppm2 1.703
ASSI { 286}
(( segid " B" and resid 26 and name HN ))
(( segid " B" and resid 27 and name HB2 ))
3.018 0.604 0.604 peak 286 weight 1.00000E+00 volume 2.84914E+05 ppm1 7.948 ppm2 1.703
ASSI { 246}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HG2 ))
2.699 0.540 0.540 peak 246 weight 1.00000E+00 volume 6.77954E+05 ppm1 8.019 ppm2 2.436
ASSI { 246}
(( segid " B" and resid 11 and name HN ))
(( segid " B" and resid 11 and name HG2 ))
2.699 0.540 0.540 peak 246 weight 1.00000E+00 volume 6.77954E+05 ppm1 8.019 ppm2 2.436
ASSI { 127}
(( segid " B" and resid 25 and name HA ))
(( segid " B" and resid 25 and name HN ))
3.025 0.605 0.605 peak 127 weight 1.00000E+00 volume 3.31498E+05 ppm1 7.888 ppm2 4.179
ASSI { 127}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 25 and name HN ))
3.025 0.605 0.605 peak 127 weight 1.00000E+00 volume 3.31498E+05 ppm1 7.888 ppm2 4.179
ASSI { 343}
(( segid " A" and resid 21 and name HN ))
( segid " A" and resid 24 and name HD1#)
3.311 0.662 0.662 peak 343 weight 1.00000E+00 volume 7.86129E+04 ppm1 8.973 ppm2 1.100
ASSI { 343}
(( segid " B" and resid 21 and name HN ))
( segid " B" and resid 24 and name HD1#)
3.311 0.662 0.662 peak 343 weight 1.00000E+00 volume 7.86129E+04 ppm1 8.973 ppm2 1.100
!20HD1
ASSI { 264}
(( segid " A" and resid 13 and name HN ))
( segid " A" and resid 13 and name HD1#)
3.114 0.623 0.623 peak 264 weight 1.00000E+00 volume 2.20166E+05 ppm1 8.787 ppm2 1.074
ASSI { 264}
(( segid " B" and resid 13 and name HN ))
( segid " B" and resid 13 and name HD1#)
3.114 0.623 0.623 peak 264 weight 1.00000E+00 volume 2.20166E+05 ppm1 8.787 ppm2 1.074
ASSI { 180}
(( segid " B" and resid 24 and name HN ))
(( segid " B" and resid 23 and name HN ))
3.263 0.653 0.653 peak 180 weight 1.00000E+00 volume 2.50716E+05 ppm1 8.220 ppm2 8.823
ASSI { 180}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 23 and name HN ))
3.263 0.653 0.653 peak 180 weight 1.00000E+00 volume 2.50716E+05 ppm1 8.220 ppm2 8.823
ASSI { 271}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 18 and name HN ))
3.364 0.673 0.673 peak 271 weight 1.00000E+00 volume 3.40312E+05 ppm1 8.190 ppm2 8.460
ASSI { 271}
(( segid " B" and resid 19 and name HN ))
(( segid " B" and resid 18 and name HN ))
3.364 0.673 0.673 peak 271 weight 1.00000E+00 volume 3.40312E+05 ppm1 8.190 ppm2 8.460
ASSI { 223}
(( segid " B" and resid 7 and name HN ))
(( segid " B" and resid 6 and name HN ))
4.167 0.833 0.833 peak 223 weight 1.00000E+00 volume 1.59880E+05 ppm1 8.156 ppm2 8.744
ASSI { 223}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 6 and name HN ))
4.167 0.833 0.833 peak 223 weight 1.00000E+00 volume 1.59880E+05 ppm1 8.156 ppm2 8.744
ASSI { 126}
(( segid " B" and resid 26 and name HA ))
(( segid " B" and resid 26 and name HN ))
2.813 0.563 0.563 peak 126 weight 1.00000E+00 volume 3.66061E+05 ppm1 7.948 ppm2 4.217
ASSI { 126}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 26 and name HN ))
2.813 0.563 0.563 peak 126 weight 1.00000E+00 volume 3.66061E+05 ppm1 7.948 ppm2 4.217
ASSI { 162}
(( segid " B" and resid 29 and name HN ))
(( segid " B" and resid 28 and name HN ))
3.380 0.676 0.676 peak 162 weight 1.00000E+00 volume 1.60648E+05 ppm1 8.920 ppm2 7.450
ASSI { 162}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 28 and name HN ))
3.380 0.676 0.676 peak 162 weight 1.00000E+00 volume 1.60648E+05 ppm1 8.920 ppm2 7.450
ASSI { 227}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 12 and name HN ))
3.026 0.605 0.605 peak 227 weight 1.00000E+00 volume 2.44214E+05 ppm1 8.418 ppm2 4.176
ASSI { 227}
(( segid " B" and resid 11 and name HA ))
(( segid " B" and resid 12 and name HN ))
3.026 0.605 0.605 peak 227 weight 1.00000E+00 volume 2.44214E+05 ppm1 8.418 ppm2 4.176
!4HA
ASSI { 288}
(( segid " B" and resid 27 and name HN ))
(( segid " B" and resid 27 and name HB1 ))
2.986 0.597 0.597 peak 288 weight 1.00000E+00 volume 2.84024E+05 ppm1 8.568 ppm2 1.068
ASSI { 288}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 27 and name HB1 ))
2.986 0.597 0.597 peak 288 weight 1.00000E+00 volume 2.84024E+05 ppm1 8.568 ppm2 1.068
!28HD2
ASSI { 376}
(( segid " B" and resid 32 and name HN ))
( segid " B" and resid 31 and name HG1#)
3.452 0.690 0.690 peak 376 weight 1.00000E+00 volume 1.12259E+05 ppm1 8.039 ppm2 1.119
ASSI { 376}
(( segid " A" and resid 32 and name HN ))
( segid " A" and resid 31 and name HG1#)
3.452 0.690 0.690 peak 376 weight 1.00000E+00 volume 1.12259E+05 ppm1 8.039 ppm2 1.119
ASSI { 283}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 23 and name HN ))
4.003 0.801 0.801 peak 283 weight 1.00000E+00 volume 2.05582E+05 ppm1 7.953 ppm2 8.198
ASSI { 283}
(( segid " B" and resid 26 and name HN ))
(( segid " B" and resid 23 and name HN ))
4.003 0.801 0.801 peak 283 weight 1.00000E+00 volume 2.05582E+05 ppm1 7.953 ppm2 8.198
ASSI { 215}
(( segid " A" and resid 9 and name HN ))
(( segid " A" and resid 9 and name HB2 ))
3.800 0.760 0.760 peak 215 weight 1.00000E+00 volume 8.02170E+04 ppm1 8.143 ppm2 1.722
ASSI { 215}
(( segid " B" and resid 9 and name HN ))
(( segid " B" and resid 9 and name HB2 ))
3.800 0.760 0.760 peak 215 weight 1.00000E+00 volume 8.02170E+04 ppm1 8.143 ppm2 1.722
ASSI { 289}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 27 and name HN ))
3.372 0.674 0.674 peak 289 weight 1.00000E+00 volume 2.15594E+05 ppm1 8.922 ppm2 8.563
ASSI { 289}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 27 and name HN ))
3.372 0.674 0.674 peak 289 weight 1.00000E+00 volume 2.15594E+05 ppm1 8.922 ppm2 8.563
ASSI { 362}
(( segid " B" and resid 29 and name HN ))
(( segid " B" and resid 28 and name HN ))
4.072 0.814 0.814 peak 362 weight 1.00000E+00 volume 1.76130E+05 ppm1 7.416 ppm2 8.929
ASSI { 362}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 28 and name HN ))
4.072 0.814 0.814 peak 362 weight 1.00000E+00 volume 1.76130E+05 ppm1 7.416 ppm2 8.929
ASSI { 200}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HA ))
2.727 0.545 0.545 peak 200 weight 1.00000E+00 volume 5.34185E+05 ppm1 7.895 ppm2 4.237
ASSI { 200}
(( segid " B" and resid 15 and name HN ))
(( segid " B" and resid 15 and name HA ))
2.727 0.545 0.545 peak 200 weight 1.00000E+00 volume 5.34185E+05 ppm1 7.895 ppm2 4.237
ASSI { 350}
(( segid " A" and resid 23 and name HN ))
( segid " A" and resid 24 and name HD1#)
3.434 0.687 0.687 peak 350 weight 1.00000E+00 volume 1.17041E+05 ppm1 8.220 ppm2 1.105
ASSI { 350}
(( segid " B" and resid 23 and name HN ))
( segid " B" and resid 24 and name HD1#)
3.434 0.687 0.687 peak 350 weight 1.00000E+00 volume 1.17041E+05 ppm1 8.220 ppm2 1.105
!20HD1
ASSI { 187}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 28 and name HA ))
3.476 0.695 0.695 peak 187 weight 1.00000E+00 volume 1.63450E+05 ppm1 8.925 ppm2 4.001
ASSI { 187}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 28 and name HA ))
3.476 0.695 0.695 peak 187 weight 1.00000E+00 volume 1.63450E+05 ppm1 8.925 ppm2 4.001
ASSI { 233}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HA ))
3.011 0.602 0.602 peak 233 weight 1.00000E+00 volume 4.30044E+05 ppm1 9.070 ppm2 4.350
ASSI { 233}
(( segid " B" and resid 3 and name HN ))
(( segid " B" and resid 3 and name HA ))
3.011 0.602 0.602 peak 233 weight 1.00000E+00 volume 4.30044E+05 ppm1 9.070 ppm2 4.350
ASSI { 310}
(( segid " A" and resid 7 and name HN ))
( segid " A" and resid 10 and name HG2#)
3.510 0.702 0.702 peak 310 weight 1.00000E+00 volume 9.07503E+04 ppm1 8.759 ppm2 1.077
ASSI { 310}
(( segid " B" and resid 7 and name HN ))
( segid " B" and resid 10 and name HG2#)
3.510 0.702 0.702 peak 310 weight 1.00000E+00 volume 9.07503E+04 ppm1 8.759 ppm2 1.077
! ASSI { 313}
! (( segid " A" and resid 15 and name HN ))
! (( segid " A" and resid 9 and name HN ))
! 4.016 0.803 0.803 peak 313 weight 1.00000E+00 volume 1.39375E+05 ppm1 8.142 ppm2 7.926
ASSI { 161}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 29 and name HN ))
3.860 0.772 0.772 peak 161 weight 1.00000E+00 volume 2.14327E+05 ppm1 7.416 ppm2 7.834
ASSI { 161}
(( segid " B" and resid 31 and name HN ))
(( segid " B" and resid 29 and name HN ))
3.860 0.772 0.772 peak 161 weight 1.00000E+00 volume 2.14327E+05 ppm1 7.416 ppm2 7.834
ASSI { 208}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 11 and name HN ))
3.003 0.601 0.601 peak 208 weight 1.00000E+00 volume 1.89032E+05 ppm1 8.018 ppm2 8.368
ASSI { 208}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 11 and name HN ))
3.003 0.601 0.601 peak 208 weight 1.00000E+00 volume 1.89032E+05 ppm1 8.018 ppm2 8.368
ASSI { 226}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 6 and name HN ))
3.735 0.747 0.747 peak 226 weight 1.00000E+00 volume 2.69408E+05 ppm1 7.968 ppm2 8.180
ASSI { 226}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 6 and name HN ))
3.735 0.747 0.747 peak 226 weight 1.00000E+00 volume 2.69408E+05 ppm1 7.968 ppm2 8.180
ASSI { 315}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 7 and name HN ))
3.952 0.990 0.990 peak 315 weight 1.00000E+00 volume 5.92969E+04 ppm1 8.525 ppm2 8.736
ASSI { 315}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 7 and name HN ))
3.952 0.990 0.990 peak 315 weight 1.00000E+00 volume 5.92969E+04 ppm1 8.525 ppm2 8.736
ASSI { 218}
(( segid " B" and resid 8 and name HN ))
(( segid " B" and resid 7 and name HB2 ))
3.050 0.610 0.610 peak 218 weight 1.00000E+00 volume 2.29519E+05 ppm1 8.524 ppm2 2.275
ASSI { 218}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 7 and name HB2 ))
3.050 0.610 0.610 peak 218 weight 1.00000E+00 volume 2.29519E+05 ppm1 8.524 ppm2 2.275
!4HB2
ASSI { 157}
(( segid " B" and resid 29 and name HN ))
(( segid " B" and resid 29 and name HB2 ))
2.676 0.535 0.535 peak 157 weight 1.00000E+00 volume 5.94078E+05 ppm1 7.416 ppm2 2.082
ASSI { 157}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 29 and name HB2 ))
2.676 0.535 0.535 peak 157 weight 1.00000E+00 volume 5.94078E+05 ppm1 7.416 ppm2 2.082
ASSI { 192}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 19 and name HN ))
3.632 0.726 0.726 peak 192 weight 1.00000E+00 volume 1.28512E+05 ppm1 8.188 ppm2 8.910
ASSI { 192}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 19 and name HN ))
3.632 0.726 0.726 peak 192 weight 1.00000E+00 volume 1.28512E+05 ppm1 8.188 ppm2 8.910
ASSI { 203}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 14 and name HN ))
3.251 0.650 0.650 peak 203 weight 1.00000E+00 volume 1.79887E+05 ppm1 9.040 ppm2 7.915
ASSI { 203}
(( segid " B" and resid 15 and name HN ))
(( segid " B" and resid 14 and name HN ))
3.251 0.650 0.650 peak 203 weight 1.00000E+00 volume 1.79887E+05 ppm1 9.040 ppm2 7.915
ASSI { 259}
(( segid " B" and resid 9 and name HN ))
(( segid " B" and resid 9 and name HD2 ))
3.994 0.799 0.799 peak 259 weight 1.00000E+00 volume 3.85170E+04 ppm1 8.147 ppm2 1.160
ASSI { 259}
(( segid " A" and resid 9 and name HN ))
(( segid " A" and resid 9 and name HD2 ))
3.994 0.799 0.799 peak 259 weight 1.00000E+00 volume 3.85170E+04 ppm1 8.147 ppm2 1.160
ASSI { 202}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 15 and name HN ))
3.504 0.701 0.701 peak 202 weight 1.00000E+00 volume 2.65682E+05 ppm1 7.895 ppm2 8.462
ASSI { 202}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 15 and name HN ))
3.504 0.701 0.701 peak 202 weight 1.00000E+00 volume 2.65682E+05 ppm1 7.895 ppm2 8.462
ASSI { 369}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 29 and name HN ))
3.884 0.777 0.777 peak 369 weight 1.00000E+00 volume 2.28684E+05 ppm1 7.873 ppm2 7.462
ASSI { 369}
(( segid " B" and resid 31 and name HN ))
(( segid " B" and resid 29 and name HN ))
3.884 0.777 0.777 peak 369 weight 1.00000E+00 volume 2.28684E+05 ppm1 7.873 ppm2 7.462
ASSI { 149}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HN ))
3.053 0.611 0.611 peak 149 weight 1.00000E+00 volume 2.35577E+05 ppm1 8.420 ppm2 4.223
ASSI { 149}
(( segid " B" and resid 4 and name HA ))
(( segid " B" and resid 4 and name HN ))
3.053 0.611 0.611 peak 149 weight 1.00000E+00 volume 2.35577E+05 ppm1 8.420 ppm2 4.223
!11HA
! ASSI { 317}
! (( segid " A" and resid 30 and name HN ))
! (( segid " B" and resid 10 and name HN ))
! 4.994 0.999 0.999 peak 317 weight 1.00000E+00 volume 7.59005E+04 ppm1 8.522 ppm2 7.738
ASSI { 295}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 11 and name HN ))
3.017 0.603 0.603 peak 295 weight 1.00000E+00 volume 2.49127E+05 ppm1 8.355 ppm2 8.020
ASSI { 295}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 11 and name HN ))
3.017 0.603 0.603 peak 295 weight 1.00000E+00 volume 2.49127E+05 ppm1 8.355 ppm2 8.020
ASSI { 173}
(( segid " B" and resid 25 and name HN ))
( segid " B" and resid 25 and name HB# )
2.703 0.541 0.541 peak 173 weight 1.00000E+00 volume 4.35955E+05 ppm1 7.887 ppm2 1.662
ASSI { 173}
(( segid " A" and resid 25 and name HN ))
( segid " A" and resid 25 and name HB# )
2.703 0.541 0.541 peak 173 weight 1.00000E+00 volume 4.35955E+05 ppm1 7.887 ppm2 1.662
ASSI { 331}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 14 and name HB1 ))
3.858 0.772 0.772 peak 331 weight 1.00000E+00 volume 1.22545E+05 ppm1 7.896 ppm2 1.631
ASSI { 331}
(( segid " B" and resid 15 and name HN ))
(( segid " B" and resid 14 and name HB1 ))
3.858 0.772 0.772 peak 331 weight 1.00000E+00 volume 1.22545E+05 ppm1 7.896 ppm2 1.631
ASSI { 154}
(( segid " A" and resid 31 and name HN ))
( segid " A" and resid 31 and name HG1#)
2.765 0.553 0.553 peak 154 weight 1.00000E+00 volume 6.40052E+05 ppm1 7.873 ppm2 1.137
ASSI { 154}
(( segid " B" and resid 31 and name HN ))
( segid " B" and resid 31 and name HG1#)
2.765 0.553 0.553 peak 154 weight 1.00000E+00 volume 6.40052E+05 ppm1 7.873 ppm2 1.137
ASSI { 128}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 24 and name HN ))
3.343 0.669 0.669 peak 128 weight 1.00000E+00 volume 1.66129E+05 ppm1 8.775 ppm2 4.162
ASSI { 128}
(( segid " B" and resid 21 and name HA ))
(( segid " B" and resid 24 and name HN ))
3.343 0.669 0.669 peak 128 weight 1.00000E+00 volume 1.66129E+05 ppm1 8.775 ppm2 4.162
ASSI { 229}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 4 and name HN ))
3.739 0.748 0.748 peak 229 weight 1.00000E+00 volume 1.25607E+05 ppm1 8.420 ppm2 8.180
ASSI { 229}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 4 and name HN ))
3.739 0.748 0.748 peak 229 weight 1.00000E+00 volume 1.25607E+05 ppm1 8.420 ppm2 8.180
ASSI { 219}
(( segid " B" and resid 8 and name HN ))
(( segid " B" and resid 7 and name HN ))
3.246 0.649 0.649 peak 219 weight 1.00000E+00 volume 3.12963E+05 ppm1 8.759 ppm2 8.519
ASSI { 219}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 7 and name HN ))
3.246 0.649 0.649 peak 219 weight 1.00000E+00 volume 3.12963E+05 ppm1 8.759 ppm2 8.519
ASSI { 1}
(( segid " B" and resid 32 and name HN ))
(( segid " B" and resid 32 and name HA2 ))
2.486 0.497 0.497 peak 1 weight 1.00000E+00 volume 6.72968E+05 ppm1 8.035 ppm2 4.172
ASSI { 1}
(( segid " A" and resid 32 and name HN ))
(( segid " A" and resid 32 and name HA2 ))
2.486 0.497 0.497 peak 1 weight 1.00000E+00 volume 6.72968E+05 ppm1 8.035 ppm2 4.172
ASSI { 269}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HB1 ))
3.267 0.653 0.653 peak 269 weight 1.00000E+00 volume 2.20828E+05 ppm1 8.966 ppm2 2.083
ASSI { 269}
(( segid " B" and resid 17 and name HN ))
(( segid " B" and resid 16 and name HB1 ))
3.267 0.653 0.653 peak 269 weight 1.00000E+00 volume 2.20828E+05 ppm1 8.966 ppm2 2.083
!13HG
ASSI { 183}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 21 and name HB2 ))
2.881 0.576 0.576 peak 183 weight 1.00000E+00 volume 1.37866E+05 ppm1 8.975 ppm2 2.348
ASSI { 183}
(( segid " B" and resid 21 and name HN ))
(( segid " B" and resid 21 and name HB2 ))
2.881 0.576 0.576 peak 183 weight 1.00000E+00 volume 1.37866E+05 ppm1 8.975 ppm2 2.348
ASSI { 159}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 29 and name HN ))
3.333 0.667 0.667 peak 159 weight 1.00000E+00 volume 6.22291E+04 ppm1 7.416 ppm2 7.698
ASSI { 159}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 29 and name HN ))
3.333 0.667 0.667 peak 159 weight 1.00000E+00 volume 6.22291E+04 ppm1 7.416 ppm2 7.698
! ASSI { 298}
! (( segid " A" and resid 10 and name HN ))
! (( segid " B" and resid 2 and name HN ))
! 4.080 0.816 0.816 peak 298 weight 1.00000E+00 volume 2.74543E+05 ppm1 8.804 ppm2 8.552
ASSI { 158}
(( segid " B" and resid 32 and name HN ))
(( segid " B" and resid 29 and name HN ))
3.775 0.955 0.955 peak 158 weight 1.00000E+00 volume 7.19040E+04 ppm1 7.418 ppm2 8.012
ASSI { 158}
(( segid " A" and resid 32 and name HN ))
(( segid " A" and resid 29 and name HN ))
3.775 0.955 0.955 peak 158 weight 1.00000E+00 volume 7.19040E+04 ppm1 7.418 ppm2 8.012
ASSI { 198}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 16 and name HA ))
3.022 0.604 0.604 peak 198 weight 1.00000E+00 volume 2.66451E+05 ppm1 8.461 ppm2 4.195
ASSI { 198}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 16 and name HA ))
3.022 0.604 0.604 peak 198 weight 1.00000E+00 volume 2.66451E+05 ppm1 8.461 ppm2 4.195
ASSI { 129}
(( segid " B" and resid 23 and name HA ))
(( segid " B" and resid 23 and name HN ))
3.002 0.600 0.600 peak 129 weight 1.00000E+00 volume 3.31836E+05 ppm1 8.221 ppm2 4.236
ASSI { 129}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 23 and name HN ))
3.002 0.600 0.600 peak 129 weight 1.00000E+00 volume 3.31836E+05 ppm1 8.221 ppm2 4.236
ASSI { 138}
(( segid " B" and resid 14 and name HA ))
(( segid " B" and resid 14 and name HN ))
3.179 0.636 0.636 peak 138 weight 1.00000E+00 volume 2.17984E+05 ppm1 9.035 ppm2 4.205
ASSI { 138}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 14 and name HN ))
3.179 0.636 0.636 peak 138 weight 1.00000E+00 volume 2.17984E+05 ppm1 9.035 ppm2 4.205
ASSI { 146}
(( segid " B" and resid 7 and name HA ))
(( segid " B" and resid 7 and name HN ))
3.116 0.623 0.623 peak 146 weight 1.00000E+00 volume 2.00848E+05 ppm1 8.758 ppm2 4.136
ASSI { 146}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HN ))
3.116 0.623 0.623 peak 146 weight 1.00000E+00 volume 2.00848E+05 ppm1 8.758 ppm2 4.136
ASSI { 155}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 29 and name HA ))
2.983 0.597 0.597 peak 155 weight 1.00000E+00 volume 3.08132E+05 ppm1 7.760 ppm2 4.351
ASSI { 155}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 29 and name HA ))
2.983 0.597 0.597 peak 155 weight 1.00000E+00 volume 3.08132E+05 ppm1 7.760 ppm2 4.351
!12HA
ASSI { 168}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 27 and name HN ))
3.893 0.779 0.779 peak 168 weight 1.00000E+00 volume 5.34212E+04 ppm1 8.564 ppm2 8.918
ASSI { 168}
(( segid " B" and resid 24 and name HN ))
(( segid " B" and resid 27 and name HN ))
3.893 0.779 0.779 peak 168 weight 1.00000E+00 volume 5.34212E+04 ppm1 8.564 ppm2 8.918
!28HN
! ASSI { 322}
! (( segid " B" and resid 12 and name HN ))
! (( segid " A" and resid 7 and name HG1 ))
! 3.745 0.749 0.749 peak 322 weight 1.00000E+00 volume 9.80984E+04 ppm1 8.353 ppm2 2.896
ASSI { 307}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 9 and name HN ))
3.563 0.713 0.713 peak 307 weight 1.00000E+00 volume 2.50948E+05 ppm1 8.153 ppm2 8.378
ASSI { 307}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 9 and name HN ))
3.563 0.713 0.713 peak 307 weight 1.00000E+00 volume 2.50948E+05 ppm1 8.153 ppm2 8.378
!6HN
ASSI { 124}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 32 and name HA ))
3.240 0.648 0.648 peak 124 weight 1.00000E+00 volume 5.11836E+04 ppm1 8.922 ppm2 4.131
ASSI { 124}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 32 and name HA ))
3.240 0.648 0.648 peak 124 weight 1.00000E+00 volume 5.11836E+04 ppm1 8.922 ppm2 4.131
!13HA
ASSI { 178}
(( segid " B" and resid 27 and name HN ))
(( segid " B" and resid 24 and name HN ))
3.763 0.753 0.753 peak 178 weight 1.00000E+00 volume 9.07184E+04 ppm1 8.783 ppm2 8.554
ASSI { 178}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 24 and name HN ))
3.763 0.753 0.753 peak 178 weight 1.00000E+00 volume 9.07184E+04 ppm1 8.783 ppm2 8.554
ASSI { 232}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HB2 ))
2.795 0.559 0.559 peak 232 weight 1.00000E+00 volume 5.12835E+05 ppm1 9.068 ppm2 2.269
ASSI { 232}
(( segid " B" and resid 3 and name HN ))
(( segid " B" and resid 3 and name HB2 ))
2.795 0.559 0.559 peak 232 weight 1.00000E+00 volume 5.12835E+05 ppm1 9.068 ppm2 2.269
ASSI { 294}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 8 and name HB2 ))
3.574 0.715 0.715 peak 294 weight 1.00000E+00 volume 1.55319E+05 ppm1 7.968 ppm2 2.622
ASSI { 294}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 8 and name HB2 ))
3.574 0.715 0.715 peak 294 weight 1.00000E+00 volume 1.55319E+05 ppm1 7.968 ppm2 2.622
ASSI { 262}
(( segid " B" and resid 13 and name HN ))
(( segid " B" and resid 12 and name HN ))
3.126 0.625 0.625 peak 262 weight 1.00000E+00 volume 2.28947E+05 ppm1 8.787 ppm2 8.364
ASSI { 262}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 12 and name HN ))
3.126 0.625 0.625 peak 262 weight 1.00000E+00 volume 2.28947E+05 ppm1 8.787 ppm2 8.364
ASSI { 272}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 16 and name HN ))
4.389 0.878 0.878 peak 272 weight 1.00000E+00 volume 1.23750E+05 ppm1 8.896 ppm2 8.467
ASSI { 272}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 16 and name HN ))
4.389 0.878 0.878 peak 272 weight 1.00000E+00 volume 1.23750E+05 ppm1 8.896 ppm2 8.467
ASSI { 360}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 27 and name HB1 ))
3.195 0.639 0.639 peak 360 weight 1.00000E+00 volume 1.74388E+05 ppm1 8.922 ppm2 1.069
ASSI { 360}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 27 and name HB1 ))
3.195 0.639 0.639 peak 360 weight 1.00000E+00 volume 1.74388E+05 ppm1 8.922 ppm2 1.069
!28HD2
ASSI { 260}
(( segid " A" and resid 11 and name HN ))
( segid " A" and resid 10 and name HG2#)
3.274 0.655 0.655 peak 260 weight 1.00000E+00 volume 1.49721E+05 ppm1 8.017 ppm2 1.087
ASSI { 260}
(( segid " B" and resid 11 and name HN ))
( segid " B" and resid 10 and name HG2#)
3.274 0.655 0.655 peak 260 weight 1.00000E+00 volume 1.49721E+05 ppm1 8.017 ppm2 1.087
ASSI { 324}
(( segid " B" and resid 12 and name HN ))
( segid " B" and resid 13 and name HD1#)
4.046 0.809 0.809 peak 324 weight 1.00000E+00 volume 4.38876E+04 ppm1 8.350 ppm2 1.073
ASSI { 324}
(( segid " A" and resid 12 and name HN ))
( segid " A" and resid 13 and name HD1#)
4.046 0.809 0.809 peak 324 weight 1.00000E+00 volume 4.38876E+04 ppm1 8.350 ppm2 1.073
!14HD1#
ASSI { 130}
(( segid " B" and resid 22 and name HA ))
(( segid " B" and resid 22 and name HN ))
3.156 0.631 0.631 peak 130 weight 1.00000E+00 volume 2.67817E+05 ppm1 7.961 ppm2 4.599
ASSI { 130}
(( segid " A" and resid 22 and name HA ))
(( segid " A" and resid 22 and name HN ))
3.156 0.631 0.631 peak 130 weight 1.00000E+00 volume 2.67817E+05 ppm1 7.961 ppm2 4.599
ASSI { 242}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 16 and name HB1 ))
2.865 0.573 0.573 peak 242 weight 1.00000E+00 volume 3.84742E+05 ppm1 8.461 ppm2 2.082
ASSI { 242}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 16 and name HB1 ))
2.865 0.573 0.573 peak 242 weight 1.00000E+00 volume 3.84742E+05 ppm1 8.461 ppm2 2.082
ASSI { 134}
(( segid " B" and resid 18 and name HA ))
(( segid " B" and resid 18 and name HN ))
2.992 0.598 0.598 peak 134 weight 1.00000E+00 volume 3.91427E+05 ppm1 8.464 ppm2 4.513
ASSI { 134}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 18 and name HN ))
2.992 0.598 0.598 peak 134 weight 1.00000E+00 volume 3.91427E+05 ppm1 8.464 ppm2 4.513
ASSI { 365}
(( segid " B" and resid 29 and name HN ))
(( segid " B" and resid 28 and name HB2 ))
2.706 0.541 0.541 peak 365 weight 1.00000E+00 volume 2.67978E+05 ppm1 7.416 ppm2 1.945
ASSI { 365}
(( segid " A" and resid 29 and name HN ))
(( segid " A" and resid 28 and name HB2 ))
2.706 0.541 0.541 peak 365 weight 1.00000E+00 volume 2.67978E+05 ppm1 7.416 ppm2 1.945
ASSI { 235}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 21 and name HB2 ))
3.305 0.661 0.661 peak 235 weight 1.00000E+00 volume 2.11026E+05 ppm1 8.895 ppm2 2.352
ASSI { 235}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 21 and name HB2 ))
3.305 0.661 0.661 peak 235 weight 1.00000E+00 volume 2.11026E+05 ppm1 8.895 ppm2 2.352
!23HG2
ASSI { 372}
(( segid " A" and resid 31 and name HN ))
(( segid " A" and resid 30 and name HB2 ))
3.550 0.710 0.710 peak 372 weight 1.00000E+00 volume 9.12209E+04 ppm1 7.876 ppm2 1.889
ASSI { 372}
(( segid " B" and resid 31 and name HN ))
(( segid " B" and resid 30 and name HB2 ))
3.550 0.710 0.710 peak 372 weight 1.00000E+00 volume 9.12209E+04 ppm1 7.876 ppm2 1.889
!26HB2
ASSI { 194}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 18 and name HB2 ))
2.674 0.535 0.535 peak 194 weight 1.00000E+00 volume 5.76648E+05 ppm1 8.465 ppm2 3.392
ASSI { 194}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 18 and name HB2 ))
2.674 0.535 0.535 peak 194 weight 1.00000E+00 volume 5.76648E+05 ppm1 8.465 ppm2 3.392
! ASSI { 216}
! (( segid " A" and resid 9 and name HN ))
! (( segid " A" and resid 28 and name HB2 ))
! 3.696 0.739 0.739 peak 216 weight 1.00000E+00 volume 6.24266E+04 ppm1 8.150 ppm2 1.987
ASSI { 274}
(( segid " A" and resid 20 and name HN ))
(( segid " A" and resid 19 and name HB2 ))
3.444 0.689 0.689 peak 274 weight 1.00000E+00 volume 1.98155E+05 ppm1 8.893 ppm2 3.637
ASSI { 274}
(( segid " B" and resid 20 and name HN ))
(( segid " B" and resid 19 and name HB2 ))
3.444 0.689 0.689 peak 274 weight 1.00000E+00 volume 1.98155E+05 ppm1 8.893 ppm2 3.637
ASSI { 280}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 22 and name HN ))
3.202 0.640 0.640 peak 280 weight 1.00000E+00 volume 4.32043E+05 ppm1 8.216 ppm2 8.002
ASSI { 280}
(( segid " B" and resid 23 and name HN ))
(( segid " B" and resid 22 and name HN ))
3.202 0.640 0.640 peak 280 weight 1.00000E+00 volume 4.32043E+05 ppm1 8.216 ppm2 8.002
ASSI { 210}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 10 and name HB ))
3.037 0.607 0.607 peak 210 weight 1.00000E+00 volume 2.29014E+05 ppm1 8.521 ppm2 2.264
ASSI { 210}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HB ))
3.037 0.607 0.607 peak 210 weight 1.00000E+00 volume 2.29014E+05 ppm1 8.521 ppm2 2.264
ASSI { 156}
(( segid " B" and resid 32 and name HN ))
(( segid " B" and resid 30 and name HN ))
3.953 0.791 0.791 peak 156 weight 1.00000E+00 volume 9.88355E+04 ppm1 7.760 ppm2 8.010
ASSI { 156}
(( segid " A" and resid 32 and name HN ))
(( segid " A" and resid 30 and name HN ))
3.953 0.791 0.791 peak 156 weight 1.00000E+00 volume 9.88355E+04 ppm1 7.760 ppm2 8.010
ASSI { 344}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 32 and name HN ))
4.037 0.807 0.807 peak 344 weight 1.00000E+00 volume 1.57836E+05 ppm1 7.970 ppm2 7.731
ASSI { 344}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 32 and name HN ))
4.037 0.807 0.807 peak 344 weight 1.00000E+00 volume 1.57836E+05 ppm1 7.970 ppm2 7.731
!22HN
ASSI { 247}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
3.510 0.702 0.702 peak 247 weight 1.00000E+00 volume 1.23609E+05 ppm1 8.017 ppm2 2.184
ASSI { 247}
(( segid " B" and resid 11 and name HN ))
(( segid " B" and resid 11 and name HB2 ))
3.510 0.702 0.702 peak 247 weight 1.00000E+00 volume 1.23609E+05 ppm1 8.017 ppm2 2.184
ASSI { 279}
(( segid " B" and resid 22 and name HN ))
(( segid " B" and resid 21 and name HB1 ))
3.152 0.630 0.630 peak 279 weight 1.00000E+00 volume 1.93627E+05 ppm1 7.969 ppm2 2.269
ASSI { 279}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 21 and name HB1 ))
3.152 0.630 0.630 peak 279 weight 1.00000E+00 volume 1.93627E+05 ppm1 7.969 ppm2 2.269
!10HB
ASSI { 243}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 16 and name HB2 ))
3.083 0.617 0.617 peak 243 weight 1.00000E+00 volume 1.28316E+05 ppm1 8.461 ppm2 1.889
ASSI { 243}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 16 and name HB2 ))
3.083 0.617 0.617 peak 243 weight 1.00000E+00 volume 1.28316E+05 ppm1 8.461 ppm2 1.889
ASSI { 220}
(( segid " B" and resid 7 and name HN ))
(( segid " B" and resid 7 and name HG2 ))
3.196 0.639 0.639 peak 220 weight 1.00000E+00 volume 1.46774E+05 ppm1 8.762 ppm2 2.751
ASSI { 220}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HG2 ))
3.196 0.639 0.639 peak 220 weight 1.00000E+00 volume 1.46774E+05 ppm1 8.762 ppm2 2.751
ASSI { 209}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 10 and name HA ))
3.662 0.732 0.732 peak 209 weight 1.00000E+00 volume 1.00896E+05 ppm1 8.530 ppm2 3.551
ASSI { 209}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HA ))
3.662 0.732 0.732 peak 209 weight 1.00000E+00 volume 1.00896E+05 ppm1 8.530 ppm2 3.551
ASSI { 214}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 9 and name HN ))
3.524 0.705 0.705 peak 214 weight 1.00000E+00 volume 1.83848E+05 ppm1 8.141 ppm2 8.379
ASSI { 214}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 9 and name HN ))
3.524 0.705 0.705 peak 214 weight 1.00000E+00 volume 1.83848E+05 ppm1 8.141 ppm2 8.379
ASSI { 282}
(( segid " B" and resid 26 and name HN ))
(( segid " B" and resid 24 and name HN ))
3.793 0.759 0.759 peak 282 weight 1.00000E+00 volume 1.32012E+05 ppm1 7.886 ppm2 8.817
ASSI { 282}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 24 and name HN ))
3.793 0.759 0.759 peak 282 weight 1.00000E+00 volume 1.32012E+05 ppm1 7.886 ppm2 8.817
!25HN
ASSI { 328}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 14 and name HN ))
3.486 0.697 0.697 peak 328 weight 1.00000E+00 volume 1.94175E+05 ppm1 7.896 ppm2 9.027
ASSI { 328}
(( segid " B" and resid 15 and name HN ))
(( segid " B" and resid 14 and name HN ))
3.486 0.697 0.697 peak 328 weight 1.00000E+00 volume 1.94175E+05 ppm1 7.896 ppm2 9.027
ASSI { 143}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 24 and name HA ))
3.588 0.718 0.718 peak 143 weight 1.00000E+00 volume 1.95301E+05 ppm1 8.775 ppm2 3.556
ASSI { 143}
(( segid " B" and resid 24 and name HN ))
(( segid " B" and resid 24 and name HA ))
3.588 0.718 0.718 peak 143 weight 1.00000E+00 volume 1.95301E+05 ppm1 8.775 ppm2 3.556
ASSI { 255}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HG ))
3.250 0.650 0.650 peak 255 weight 1.00000E+00 volume 1.76680E+05 ppm1 8.154 ppm2 1.919
ASSI { 255}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 6 and name HG ))
3.250 0.650 0.650 peak 255 weight 1.00000E+00 volume 1.76680E+05 ppm1 8.154 ppm2 1.919
ASSI { 339}
(( segid " A" and resid 21 and name HN ))
(( segid " A" and resid 19 and name HN ))
5.251 1.050 1.050 peak 339 weight 1.00000E+00 volume 9.16431E+04 ppm1 8.973 ppm2 8.190
ASSI { 339}
(( segid " B" and resid 21 and name HN ))
(( segid " B" and resid 19 and name HN ))
5.251 1.050 1.050 peak 339 weight 1.00000E+00 volume 9.16431E+04 ppm1 8.973 ppm2 8.190
ASSI { 351}
(( segid " A" and resid 24 and name HN ))
(( segid " A" and resid 24 and name HG1# ))
3.137 0.927 0.927 peak 351 weight 1.00000E+00 volume 1.67001E+05 ppm1 8.778 ppm2 1.023
ASSI { 351}
(( segid " B" and resid 24 and name HN ))
(( segid " B" and resid 24 and name HG1# ))
3.137 0.927 0.927 peak 351 weight 1.00000E+00 volume 1.67001E+05 ppm1 8.778 ppm2 1.023
!27HB1
ASSI { 239}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HB2 ))
3.212 0.642 0.642 peak 239 weight 1.00000E+00 volume 2.38488E+05 ppm1 8.966 ppm2 2.907
ASSI { 239}
(( segid " B" and resid 17 and name HN ))
(( segid " B" and resid 17 and name HB2 ))
3.212 0.642 0.642 peak 239 weight 1.00000E+00 volume 2.38488E+05 ppm1 8.966 ppm2 2.907
ASSI { 263}
(( segid " B" and resid 13 and name HN ))
(( segid " B" and resid 10 and name HN ))
4.520 0.904 0.904 peak 263 weight 1.00000E+00 volume 8.44910E+04 ppm1 8.790 ppm2 8.551
ASSI { 263}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 10 and name HN ))
4.520 0.904 0.904 peak 263 weight 1.00000E+00 volume 8.44910E+04 ppm1 8.790 ppm2 8.551
ASSI { 352}
(( segid " B" and resid 15 and name HN ))
(( segid " B" and resid 12 and name HN ))
3.676 0.735 0.735 peak 352 weight 1.00000E+00 volume 1.46635E+05 ppm1 7.888 ppm2 8.373
ASSI { 352}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 12 and name HN ))
3.676 0.735 0.735 peak 352 weight 1.00000E+00 volume 1.46635E+05 ppm1 7.888 ppm2 8.373
!25HN
ASSI { 301}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 2 and name HN ))
4.140 0.828 0.828 peak 301 weight 1.00000E+00 volume 1.37651E+05 ppm1 8.809 ppm2 8.008
ASSI { 301}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 2 and name HN ))
4.140 0.828 0.828 peak 301 weight 1.00000E+00 volume 1.37651E+05 ppm1 8.809 ppm2 8.008
ASSI { 278}
(( segid " B" and resid 22 and name HN ))
(( segid " B" and resid 23 and name HG2 ))
3.227 0.645 0.645 peak 278 weight 1.00000E+00 volume 2.23401E+05 ppm1 7.966 ppm2 2.439
ASSI { 278}
(( segid " A" and resid 22 and name HN ))
(( segid " A" and resid 23 and name HG2 ))
3.227 0.645 0.645 peak 278 weight 1.00000E+00 volume 2.23401E+05 ppm1 7.966 ppm2 2.439
!11HG2
ASSI { 170}
(( segid " B" and resid 26 and name HN ))
(( segid " B" and resid 26 and name HB2 ))
3.201 0.640 0.640 peak 170 weight 1.00000E+00 volume 1.87331E+05 ppm1 7.950 ppm2 1.917
ASSI { 170}
(( segid " A" and resid 26 and name HN ))
(( segid " A" and resid 26 and name HB2 ))
3.201 0.640 0.640 peak 170 weight 1.00000E+00 volume 1.87331E+05 ppm1 7.950 ppm2 1.917
ASSI { 237}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HB2 ))
2.876 0.575 0.575 peak 237 weight 1.00000E+00 volume 4.39585E+05 ppm1 8.189 ppm2 3.633
ASSI { 237}
(( segid " B" and resid 19 and name HN ))
(( segid " B" and resid 19 and name HB2 ))
2.876 0.575 0.575 peak 237 weight 1.00000E+00 volume 4.39585E+05 ppm1 8.189 ppm2 3.633
ASSI { 230}
(( segid " B" and resid 4 and name HN ))
(( segid " B" and resid 4 and name HB2 ))
2.704 0.541 0.541 peak 230 weight 1.00000E+00 volume 6.00289E+05 ppm1 8.418 ppm2 1.986
ASSI { 230}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HB2 ))
2.704 0.541 0.541 peak 230 weight 1.00000E+00 volume 6.00289E+05 ppm1 8.418 ppm2 1.986
!12HN
ASSI { 284}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 32 and name HN ))
3.990 0.798 0.798 peak 284 weight 1.00000E+00 volume 1.35494E+05 ppm1 7.953 ppm2 7.729
ASSI { 284}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 32 and name HN ))
3.990 0.798 0.798 peak 284 weight 1.00000E+00 volume 1.35494E+05 ppm1 7.953 ppm2 7.729
!26HN
ASSI { 302}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 2 and name HN ))
3.322 0.664 0.664 peak 302 weight 1.00000E+00 volume 4.44534E+05 ppm1 9.069 ppm2 8.819
ASSI { 302}
(( segid " B" and resid 3 and name HN ))
(( segid " B" and resid 2 and name HN ))
3.322 0.664 0.664 peak 302 weight 1.00000E+00 volume 4.44534E+05 ppm1 9.069 ppm2 8.819
ASSI { 261}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 12 and name HB2 ))
2.664 0.533 0.533 peak 261 weight 1.00000E+00 volume 7.35678E+05 ppm1 8.355 ppm2 2.447
ASSI { 261}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HB2 ))
2.664 0.533 0.533 peak 261 weight 1.00000E+00 volume 7.35678E+05 ppm1 8.355 ppm2 2.447
ASSI { 306}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HB2 ))
3.805 0.761 0.761 peak 306 weight 1.00000E+00 volume 1.02629E+05 ppm1 9.069 ppm2 2.721
ASSI { 306}
(( segid " B" and resid 3 and name HN ))
(( segid " B" and resid 3 and name HB2 ))
3.805 0.761 0.761 peak 306 weight 1.00000E+00 volume 1.02629E+05 ppm1 9.069 ppm2 2.721
!7HG2
ASSI { 355}
(( segid " B" and resid 25 and name HN ))
(( segid " B" and resid 24 and name HB ))
3.106 0.621 0.621 peak 355 weight 1.00000E+00 volume 2.24781E+05 ppm1 7.888 ppm2 2.269
ASSI { 355}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 24 and name HB ))
3.106 0.621 0.621 peak 355 weight 1.00000E+00 volume 2.24781E+05 ppm1 7.888 ppm2 2.269
!10HB
!7/1
ASSI { 164}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 28 and name HB2 ))
2.696 0.539 0.539 peak 164 weight 1.00000E+00 volume 3.76106E+05 ppm1 8.923 ppm2 1.967
ASSI { 164}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 28 and name HB2 ))
2.696 0.539 0.539 peak 164 weight 1.00000E+00 volume 3.76106E+05 ppm1 8.923 ppm2 1.967
ASSI { 316}
(( segid " B" and resid 10 and name HN ))
(( segid " B" and resid 9 and name HN ))
2.840 0.568 0.568 peak 316 weight 1.00000E+00 volume 3.36957E+05 ppm1 8.522 ppm2 8.116
ASSI { 316}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HN ))
2.840 0.568 0.568 peak 316 weight 1.00000E+00 volume 3.36957E+05 ppm1 8.522 ppm2 8.116
ASSI { 145}
(( segid " B" and resid 8 and name HA ))
(( segid " B" and resid 8 and name HN ))
3.257 0.651 0.651 peak 145 weight 1.00000E+00 volume 1.60997E+05 ppm1 8.524 ppm2 4.210
ASSI { 145}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HN ))
3.257 0.651 0.651 peak 145 weight 1.00000E+00 volume 1.60997E+05 ppm1 8.524 ppm2 4.210
ASSI { 133}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name HN ))
3.034 0.607 0.607 peak 133 weight 1.00000E+00 volume 2.65909E+05 ppm1 8.182 ppm2 4.539
ASSI { 133}
(( segid " B" and resid 19 and name HA ))
(( segid " B" and resid 19 and name HN ))
3.034 0.607 0.607 peak 133 weight 1.00000E+00 volume 2.65909E+05 ppm1 8.182 ppm2 4.539
ASSI { 137}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 15 and name HN ))
2.727 0.545 0.545 peak 137 weight 1.00000E+00 volume 5.34185E+05 ppm1 7.896 ppm2 4.275
ASSI { 137}
(( segid " B" and resid 15 and name HA ))
(( segid " B" and resid 15 and name HN ))
2.727 0.545 0.545 peak 137 weight 1.00000E+00 volume 5.34185E+05 ppm1 7.896 ppm2 4.275
!12HA
ASSI { 182}
(( segid " B" and resid 23 and name HN ))
(( segid " B" and resid 22 and name HN ))
3.363 0.673 0.673 peak 182 weight 1.00000E+00 volume 3.77141E+05 ppm1 7.967 ppm2 8.200
ASSI { 182}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 22 and name HN ))
3.363 0.673 0.673 peak 182 weight 1.00000E+00 volume 3.77141E+05 ppm1 7.967 ppm2 8.200
ASSI { 172}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 28 and name HB1 ))
4.690 0.938 0.938 peak 172 weight 1.00000E+00 volume 7.16861E+04 ppm1 7.884 ppm2 1.452
ASSI { 172}
(( segid " B" and resid 25 and name HN ))
(( segid " B" and resid 28 and name HB1 ))
4.690 0.938 0.938 peak 172 weight 1.00000E+00 volume 7.16861E+04 ppm1 7.884 ppm2 1.452
!13HB1
ASSI { 217}
(( segid " B" and resid 9 and name HN ))
(( segid " B" and resid 8 and name HN ))
2.978 0.596 0.596 peak 217 weight 1.00000E+00 volume 3.39624E+05 ppm1 8.519 ppm2 8.112
ASSI { 217}
(( segid " A" and resid 9 and name HN ))
(( segid " A" and resid 8 and name HN ))
2.978 0.596 0.596 peak 217 weight 1.00000E+00 volume 3.39624E+05 ppm1 8.519 ppm2 8.112
ASSI { 224}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 6 and name HB2 ))
3.430 0.686 0.686 peak 224 weight 1.00000E+00 volume 1.44387E+05 ppm1 8.152 ppm2 1.083
ASSI { 224}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB2 ))
3.430 0.686 0.686 peak 224 weight 1.00000E+00 volume 1.44387E+05 ppm1 8.152 ppm2 1.083
ASSI { 308}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 6 and name HN ))
3.361 0.672 0.672 peak 308 weight 1.00000E+00 volume 1.96172E+05 ppm1 8.156 ppm2 7.936
ASSI { 308}
(( segid " B" and resid 5 and name HN ))
(( segid " B" and resid 6 and name HN ))
3.361 0.672 0.672 peak 308 weight 1.00000E+00 volume 1.96172E+05 ppm1 8.156 ppm2 7.936
!15HN
ASSI { 287}
(( segid " B" and resid 27 and name HN ))
(( segid " B" and resid 26 and name HB1 ))
3.277 0.655 0.655 peak 287 weight 1.00000E+00 volume 1.95371E+05 ppm1 8.565 ppm2 1.455
ASSI { 287}
(( segid " A" and resid 27 and name HN ))
(( segid " A" and resid 26 and name HB1 ))
3.277 0.655 0.655 peak 287 weight 1.00000E+00 volume 1.95371E+05 ppm1 8.565 ppm2 1.455
!28HB2
ASSI { 185}
(( segid " A" and resid 30 and name HN ))
(( segid " A" and resid 30 and name HA ))
2.983 0.597 0.597 peak 185 weight 1.00000E+00 volume 3.08132E+05 ppm1 7.761 ppm2 4.376
ASSI { 185}
(( segid " B" and resid 30 and name HN ))
(( segid " B" and resid 30 and name HA ))
2.983 0.597 0.597 peak 185 weight 1.00000E+00 volume 3.08132E+05 ppm1 7.761 ppm2 4.376
ASSI { 303}
(( segid " B" and resid 4 and name HN ))
(( segid " B" and resid 3 and name HN ))
3.627 0.725 0.725 peak 303 weight 1.00000E+00 volume 1.05871E+05 ppm1 8.418 ppm2 9.072
ASSI { 303}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 3 and name HN ))
3.627 0.725 0.725 peak 303 weight 1.00000E+00 volume 1.05871E+05 ppm1 8.418 ppm2 9.072
ASSI { 179}
(( segid " A" and resid 23 and name HN ))
(( segid " A" and resid 23 and name HG2 ))
2.769 0.554 0.554 peak 179 weight 1.00000E+00 volume 6.14650E+05 ppm1 8.218 ppm2 2.354
ASSI { 179}
(( segid " B" and resid 23 and name HN ))
(( segid " B" and resid 23 and name HG2 ))
2.769 0.554 0.554 peak 179 weight 1.00000E+00 volume 6.14650E+05 ppm1 8.218 ppm2 2.354
ASSI { 270}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 17 and name HN ))
3.361 0.672 0.672 peak 270 weight 1.00000E+00 volume 1.99272E+05 ppm1 8.456 ppm2 8.973
ASSI { 270}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HN ))
3.361 0.672 0.672 peak 270 weight 1.00000E+00 volume 1.99272E+05 ppm1 8.456 ppm2 8.973
ASSI { 197}
(( segid " B" and resid 17 and name HN ))
(( segid " B" and resid 17 and name HA ))
3.671 0.734 0.734 peak 197 weight 1.00000E+00 volume 1.28893E+05 ppm1 8.964 ppm2 4.188
ASSI { 197}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HA ))
3.671 0.734 0.734 peak 197 weight 1.00000E+00 volume 1.28893E+05 ppm1 8.964 ppm2 4.188
ASSI { 330}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 14 and name HB2 ))
3.271 0.654 0.654 peak 330 weight 1.00000E+00 volume 2.15447E+05 ppm1 7.899 ppm2 2.076
ASSI { 330}
(( segid " B" and resid 15 and name HN ))
(( segid " B" and resid 14 and name HB2 ))
3.271 0.654 0.654 peak 330 weight 1.00000E+00 volume 2.15447E+05 ppm1 7.899 ppm2 2.076
ASSI { 163}
(( segid " A" and resid 28 and name HN ))
(( segid " A" and resid 25 and name HA ))
3.474 0.695 0.695 peak 163 weight 1.00000E+00 volume 1.31184E+05 ppm1 8.925 ppm2 4.175
ASSI { 163}
(( segid " B" and resid 28 and name HN ))
(( segid " B" and resid 25 and name HA ))
3.474 0.695 0.695 peak 163 weight 1.00000E+00 volume 1.31184E+05 ppm1 8.925 ppm2 4.175
ASSI { 195}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 17 and name HN ))
2.879 0.576 0.576 peak 195 weight 1.00000E+00 volume 3.28715E+05 ppm1 8.966 ppm2 8.460
ASSI { 195}
(( segid " B" and resid 18 and name HN ))
(( segid " B" and resid 17 and name HN ))
2.879 0.576 0.576 peak 195 weight 1.00000E+00 volume 3.28715E+05 ppm1 8.966 ppm2 8.460
ASSI { 151}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 2 and name HN ))
2.684 0.537 0.537 peak 151 weight 1.00000E+00 volume 7.52995E+05 ppm1 8.806 ppm2 4.088
ASSI { 151}
(( segid " B" and resid 2 and name HA ))
(( segid " B" and resid 2 and name HN ))
2.684 0.537 0.537 peak 151 weight 1.00000E+00 volume 7.52995E+05 ppm1 8.806 ppm2 4.088
ASSI { 201}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HB2 ))
3.144 0.629 0.629 peak 201 weight 1.00000E+00 volume 1.75678E+05 ppm1 7.895 ppm2 4.464
ASSI { 201}
(( segid " B" and resid 15 and name HN ))
(( segid " B" and resid 15 and name HB2 ))
3.144 0.629 0.629 peak 201 weight 1.00000E+00 volume 1.75678E+05 ppm1 7.895 ppm2 4.464
!new from other noe table
ASSI { 377}
(( segid " A" and resid 25 and name HN ))
(( segid " A" and resid 23 and name HN ))
2.942 0.588 0.588 peak 377 weight 1.00000E+00 volume 1.22064E+05 ppm1 8.221 ppm2 7.889
ASSI { 377}
(( segid " B" and resid 25 and name HN ))
(( segid " B" and resid 23 and name HN ))
2.942 0.588 0.588 peak 377 weight 1.00000E+00 volume 1.22064E+05 ppm1 8.221 ppm2 7.889
ASSI { 378}
(( segid " A" and resid 29 and name HD2 ))
(( segid " A" and resid 29 and name HN ))
3.944 0.789 0.789 peak 378 weight 1.00000E+00 volume 5.87671E+04 ppm1 7.414 ppm2 1.094
ASSI { 378}
(( segid " B" and resid 29 and name HD2 ))
(( segid " B" and resid 29 and name HN ))
3.944 0.789 0.789 peak 378 weight 1.00000E+00 volume 5.87671E+04 ppm1 7.414 ppm2 1.094
ASSI { 379}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 3 and name HA ))
3.876 0.775 0.775 peak 379 weight 1.00000E+00 volume 6.34028E+04 ppm1 8.757 ppm2 4.356
ASSI { 379}
(( segid " B" and resid 7 and name HN ))
(( segid " B" and resid 3 and name HA ))
3.876 0.775 0.775 peak 379 weight 1.00000E+00 volume 6.34028E+04 ppm1 8.757 ppm2 4.356
ASSI { 380}
(( segid " B" and resid 14 and name HN ))
(( segid " B" and resid 14 and name HG ))
4.000 0.800 0.800 peak 380 weight 1.00000E+00 volume 5.97301E+04 ppm1 9.040 ppm2 1.439
ASSI { 380}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HG ))
4.000 0.800 0.800 peak 380 weight 1.00000E+00 volume 5.97301E+04 ppm1 9.040 ppm2 1.439
ASSI { 381}
(( segid " A" and resid 16 and name HN ))
(( segid " A" and resid 16 and name HG2 ))
3.801 0.760 0.760 peak 381 weight 1.00000E+00 volume 7.54957E+04 ppm1 8.457 ppm2 1.632
ASSI { 381}
(( segid " B" and resid 16 and name HN ))
(( segid " B" and resid 16 and name HG2 ))
3.801 0.760 0.760 peak 381 weight 1.00000E+00 volume 7.54957E+04 ppm1 8.457 ppm2 1.632
ASSI { 382}
(( segid " A" and resid 16 and name HD2 ))
(( segid " A" and resid 16 and name HN ))
4.766 0.953 0.953 peak 382 weight 1.00000E+00 volume 6.95376E+04 ppm1 8.461 ppm2 1.079
ASSI { 382}
(( segid " B" and resid 16 and name HD2 ))
(( segid " B" and resid 16 and name HN ))
4.766 0.953 0.953 peak 382 weight 1.00000E+00 volume 6.95376E+04 ppm1 8.461 ppm2 1.079
ASSI { 383}
(( segid " B" and resid 3 and name HA ))
(( segid " B" and resid 2 and name HN ))
4.627 0.925 0.925 peak 383 weight 1.00000E+00 volume 1.05262E+05 ppm1 8.810 ppm2 4.364
ASSI { 383}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 2 and name HN ))
4.627 0.925 0.925 peak 383 weight 1.00000E+00 volume 1.05262E+05 ppm1 8.810 ppm2 4.364
ASSI { 387}
(( segid " A" and resid 5 and name HG2 ))
(( segid " A" and resid 6 and name HN ))
2.936 0.587 0.587 peak 387 weight 1.00000E+00 volume 2.57248E+06 ppm1 8.153 ppm2 2.277
ASSI { 387}
(( segid " B" and resid 5 and name HG2 ))
(( segid " B" and resid 6 and name HN ))
2.936 0.587 0.587 peak 387 weight 1.00000E+00 volume 2.57248E+06 ppm1 8.153 ppm2 2.277
ASSI { 388}
(( segid " A" and resid 24 and name HN ))
( segid " A" and resid 25 and name HB# )
5.033 1.007 1.007 peak 388 weight 1.00000E+00 volume 1.01288E+05 ppm1 8.774 ppm2 1.672
ASSI { 388}
(( segid " B" and resid 24 and name HN ))
( segid " B" and resid 25 and name HB# )
5.033 1.007 1.007 peak 388 weight 1.00000E+00 volume 1.01288E+05 ppm1 8.774 ppm2 1.672
ASSI { 389}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 14 and name HN ))
3.849 0.770 0.770 peak 389 weight 1.00000E+00 volume -5.06546E+05 ppm1 8.363 ppm2 9.013
ASSI { 389}
(( segid " B" and resid 12 and name HN ))
(( segid " B" and resid 14 and name HN ))
3.849 0.770 0.770 peak 389 weight 1.00000E+00 volume -5.06546E+05 ppm1 8.363 ppm2 9.013
ASSI { 390}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 2 and name HA ))
4.025 0.805 0.805 peak 390 weight 1.00000E+00 volume 3.87224E+05 ppm1 8.155 ppm2 4.099
ASSI { 390}
(( segid " B" and resid 6 and name HN ))
(( segid " B" and resid 2 and name HA ))
4.025 0.805 0.805 peak 390 weight 1.00000E+00 volume 3.87224E+05 ppm1 8.155 ppm2 4.099
ASSI { 391}
(( segid " A" and resid 3 and name HG2 ))
(( segid " A" and resid 3 and name HN ))
3.874 0.775 0.775 peak 391 weight 1.00000E+00 volume 4.86821E+05 ppm1 9.065 ppm2 1.988
ASSI { 391}
(( segid " B" and resid 3 and name HG2 ))
(( segid " B" and resid 3 and name HN ))
3.874 0.775 0.775 peak 391 weight 1.00000E+00 volume 4.86821E+05 ppm1 9.065 ppm2 1.988
ASSI { 298}
(( segid " A" and resid 4 and name HD1 ))
(( segid " A" and resid 3 and name HB2 ))
3.580 0.716 0.716 peak 298 weight 1.00000E+00 volume 5.53954E+04 ppm1 2.297 ppm2 0.886
ASSI { 298}
(( segid " B" and resid 4 and name HD1 ))
(( segid " B" and resid 3 and name HB2 ))
3.580 0.716 0.716 peak 298 weight 1.00000E+00 volume 5.53954E+04 ppm1 2.297 ppm2 0.886
ASSI { 299}
(( segid " A" and resid 3 and name HB2 ))
(( segid " A" and resid 4 and name HG1 ))
3.426 0.685 0.685 peak 299 weight 1.00000E+00 volume 9.95938E+04 ppm1 2.288 ppm2 1.807
ASSI { 299}
(( segid " B" and resid 3 and name HB2 ))
(( segid " B" and resid 4 and name HG1 ))
3.426 0.685 0.685 peak 299 weight 1.00000E+00 volume 9.95938E+04 ppm1 2.288 ppm2 1.807
ASSI { 302}
(( segid " B" and resid 24 and name HB ))
(( segid " B" and resid 24 and name HA ))
4.019 0.804 0.804 peak 302 weight 1.00000E+00 volume 1.88593E+05 ppm1 2.348 ppm2 3.271
ASSI { 302}
(( segid " A" and resid 24 and name HB ))
(( segid " A" and resid 24 and name HA ))
4.019 0.804 0.804 peak 302 weight 1.00000E+00 volume 1.88593E+05 ppm1 2.348 ppm2 3.271
ASSI { 303}
(( segid " A" and resid 5 and name HB1 ))
(( segid " A" and resid 6 and name HA ))
3.815 0.763 0.763 peak 303 weight 1.00000E+00 volume 2.57845E+05 ppm1 1.761 ppm2 4.275
ASSI { 303}
(( segid " B" and resid 5 and name HB1 ))
(( segid " B" and resid 6 and name HA ))
3.815 0.763 0.763 peak 303 weight 1.00000E+00 volume 2.57845E+05 ppm1 1.761 ppm2 4.275
ASSI { 304}
(( segid " B" and resid 19 and name HA ))
(( segid " B" and resid 19 and name HB2 ))
3.625 0.725 0.725 peak 304 weight 1.00000E+00 volume -3.49958E+05 ppm1 4.536 ppm2 3.677
ASSI { 304}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name HB2 ))
3.625 0.725 0.725 peak 304 weight 1.00000E+00 volume -3.49958E+05 ppm1 4.536 ppm2 3.677
ASSI { 305}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 6 and name HG ))
3.958 0.792 0.792 peak 305 weight 1.00000E+00 volume 2.06681E+05 ppm1 1.911 ppm2 1.091
ASSI { 305}
(( segid " B" and resid 6 and name HB2 ))
(( segid " B" and resid 6 and name HG ))
3.958 0.792 0.792 peak 305 weight 1.00000E+00 volume 2.06681E+05 ppm1 1.911 ppm2 1.091
ASSI { 306}
(( segid " B" and resid 16 and name HB1 ))
(( segid " B" and resid 16 and name HA ))
4.006 0.801 0.801 peak 306 weight 1.00000E+00 volume 1.92292E+05 ppm1 2.046 ppm2 4.173
ASSI { 306}
(( segid " A" and resid 16 and name HB1 ))
(( segid " A" and resid 16 and name HA ))
4.006 0.801 0.801 peak 306 weight 1.00000E+00 volume 1.92292E+05 ppm1 2.046 ppm2 4.173
ASSI { 307}
(( segid " B" and resid 6 and name HB2 ))
(( segid " B" and resid 6 and name HA ))
3.533 0.707 0.707 peak 307 weight 1.00000E+00 volume 4.08514E+05 ppm1 4.308 ppm2 1.126
ASSI { 307}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 6 and name HA ))
3.533 0.707 0.707 peak 307 weight 1.00000E+00 volume 4.08514E+05 ppm1 4.308 ppm2 1.126
ASSI { 308}
( segid " B" and resid 20 and name HD1#)
(( segid " B" and resid 17 and name HA ))
4.163 0.833 0.833 peak 308 weight 1.00000E+00 volume 1.52694E+05 ppm1 4.207 ppm2 1.100
ASSI { 308}
( segid " A" and resid 20 and name HD1#)
(( segid " A" and resid 17 and name HA ))
4.163 0.833 0.833 peak 308 weight 1.00000E+00 volume 1.52694E+05 ppm1 4.207 ppm2 1.100
ASSI { 309}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 6 and name HG ))
3.561 0.712 0.712 peak 309 weight 1.00000E+00 volume 3.89732E+05 ppm1 1.101 ppm2 1.896
ASSI { 309}
(( segid " B" and resid 6 and name HB2 ))
(( segid " B" and resid 6 and name HG ))
3.561 0.712 0.712 peak 309 weight 1.00000E+00 volume 3.89732E+05 ppm1 1.101 ppm2 1.896
ASSI { 310}
(( segid " A" and resid 6 and name HG ))
(( segid " A" and resid 6 and name HB1 ))
3.433 0.687 0.687 peak 310 weight 1.00000E+00 volume 4.85342E+05 ppm1 1.756 ppm2 1.936
ASSI { 310}
(( segid " A" and resid 6 and name HG ))
(( segid " A" and resid 6 and name HB1 ))
3.433 0.687 0.687 peak 310 weight 1.00000E+00 volume 4.85342E+05 ppm1 1.756 ppm2 1.936
ASSI { 311}
( segid " A" and resid 6 and name HD1#)
(( segid " A" and resid 6 and name HA ))
4.570 0.914 0.914 peak 311 weight 1.00000E+00 volume -8.72637E+04 ppm1 0.644 ppm2 4.324
ASSI { 311}
( segid " B" and resid 6 and name HD1#)
(( segid " B" and resid 6 and name HA ))
4.570 0.914 0.914 peak 311 weight 1.00000E+00 volume -8.72637E+04 ppm1 0.644 ppm2 4.324
ASSI { 313}
(( segid " B" and resid 30 and name HB2 ))
(( segid " B" and resid 27 and name HA ))
4.687 0.937 0.937 peak 313 weight 1.00000E+00 volume 7.49032E+04 ppm1 1.790 ppm2 4.184
ASSI { 313}
(( segid " A" and resid 30 and name HB2 ))
(( segid " A" and resid 27 and name HA ))
4.687 0.937 0.937 peak 313 weight 1.00000E+00 volume 7.49032E+04 ppm1 1.790 ppm2 4.184
ASSI { 314}
( segid " A" and resid 20 and name HD2#)
(( segid " A" and resid 20 and name HA ))
5.227 1.045 1.045 peak 314 weight 1.00000E+00 volume -3.89536E+04 ppm1 4.188 ppm2 1.001
ASSI { 314}
( segid " B" and resid 20 and name HD2#)
(( segid " B" and resid 20 and name HA ))
5.227 1.045 1.045 peak 314 weight 1.00000E+00 volume -3.89536E+04 ppm1 4.188 ppm2 1.001
ASSI { 315}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HG1 ))
5.101 1.020 1.020 peak 315 weight 1.00000E+00 volume 4.50949E+04 ppm1 4.243 ppm2 2.357
ASSI { 315}
(( segid " B" and resid 5 and name HA ))
(( segid " B" and resid 5 and name HG1 ))
5.101 1.020 1.020 peak 315 weight 1.00000E+00 volume 4.50949E+04 ppm1 4.243 ppm2 2.357
ASSI { 316}
( segid " A" and resid 13 and name HD1#)
(( segid " A" and resid 13 and name HA ))
3.866 0.773 0.773 peak 316 weight 1.00000E+00 volume 2.38106E+05 ppm1 4.209 ppm2 1.074
ASSI { 316}
( segid " B" and resid 13 and name HD1#)
(( segid " B" and resid 13 and name HA ))
3.866 0.773 0.773 peak 316 weight 1.00000E+00 volume 2.38106E+05 ppm1 4.209 ppm2 1.074
ASSI { 317}
(( segid " B" and resid 4 and name HA ))
(( segid " B" and resid 3 and name HB2 ))
3.428 0.686 0.686 peak 317 weight 1.00000E+00 volume 4.90076E+05 ppm1 2.300 ppm2 4.183
ASSI { 317}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 3 and name HB2 ))
3.428 0.686 0.686 peak 317 weight 1.00000E+00 volume 4.90076E+05 ppm1 2.300 ppm2 4.183
ASSI { 318}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 3 and name HB2 ))
3.535 0.707 0.707 peak 318 weight 1.00000E+00 volume 4.07034E+05 ppm1 2.303 ppm2 4.359
ASSI { 318}
(( segid " B" and resid 3 and name HA ))
(( segid " B" and resid 3 and name HB2 ))
3.535 0.707 0.707 peak 318 weight 1.00000E+00 volume 4.07034E+05 ppm1 2.303 ppm2 4.359
ASSI { 319}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 17 and name HB2 ))
3.901 0.780 0.780 peak 319 weight 1.00000E+00 volume 2.25522E+05 ppm1 4.186 ppm2 3.464
ASSI { 319}
(( segid " B" and resid 17 and name HA ))
(( segid " B" and resid 17 and name HB2 ))
3.901 0.780 0.780 peak 319 weight 1.00000E+00 volume 2.25522E+05 ppm1 4.186 ppm2 3.464
! ASSI { 320}
! (( segid " B" and resid 4 and name HA ))
! (( segid " A" and resid 26 and name HG2 ))
! 4.319 0.864 0.864 peak 320 weight 1.00000E+00 volume 1.22333E+05 ppm1 4.215 ppm2 1.718
! ASSI { 325}
! (( segid " B" and resid 11 and name HA ))
! (( segid " A" and resid 21 and name HB2 ))
! 5.101 1.020 1.020 peak 325 weight 1.00000E+00 volume 4.50949E+04 ppm1 4.244 ppm2 2.358
ASSI { 326}
(( segid " A" and resid 17 and name HA ))
(( segid " B" and resid 17 and name HB1 ))
5.374 1.075 1.075 peak 326 weight 1.00000E+00 volume 3.29947E+04 ppm1 4.192 ppm2 2.953
ASSI { 326}
(( segid " B" and resid 17 and name HA ))
(( segid " A" and resid 17 and name HB1 ))
5.374 1.075 1.075 peak 326 weight 1.00000E+00 volume 3.29947E+04 ppm1 4.192 ppm2 2.953
ASSI { 328}
(( segid " B" and resid 12 and name HA ))
(( segid " B" and resid 11 and name HB2 ))
4.737 0.947 0.947 peak 328 weight 1.00000E+00 volume 7.03192E+04 ppm1 4.324 ppm2 2.177
ASSI { 328}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 11 and name HB2 ))
4.737 0.947 0.947 peak 328 weight 1.00000E+00 volume 7.03192E+04 ppm1 4.324 ppm2 2.177
ASSI { 329}
(( segid " A" and resid 20 and name HB1 ))
(( segid " B" and resid 20 and name HA ))
4.202 0.840 0.840 peak 329 weight 1.00000E+00 volume 1.44315E+05 ppm1 1.411 ppm2 4.253
ASSI { 334}
(( segid " B" and resid 26 and name HA ))
(( segid " B" and resid 26 and name HG2 ))
4.079 0.816 0.816 peak 334 weight 1.00000E+00 volume 1.72536E+05 ppm1 4.225 ppm2 1.730
ASSI { 334}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 26 and name HG2 ))
4.079 0.816 0.816 peak 334 weight 1.00000E+00 volume 1.72536E+05 ppm1 4.225 ppm2 1.730
ASSI { 335}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 13 and name HA ))
3.760 0.752 0.752 peak 335 weight 1.00000E+00 volume 2.81412E+05 ppm1 4.177 ppm2 3.459
ASSI { 335}
(( segid " B" and resid 17 and name HB2 ))
(( segid " B" and resid 13 and name HA ))
3.760 0.752 0.752 peak 335 weight 1.00000E+00 volume 2.81412E+05 ppm1 4.177 ppm2 3.459
! ASSI { 337}
! (( segid " A" and resid 11 and name HA ))
! (( segid " A" and resid 14 and name HG ))
! 4.369 0.874 0.874 peak 337 weight 1.00000E+00 volume 1.14239E+05 ppm1 4.231 ppm2 1.441
ASSI { 339}
(( segid " B" and resid 27 and name HB1 ))
(( segid " B" and resid 28 and name HA ))
4.074 0.815 0.815 peak 339 weight 1.00000E+00 volume 1.73764E+05 ppm1 4.003 ppm2 1.719
ASSI { 339}
(( segid " A" and resid 27 and name HB1 ))
(( segid " A" and resid 28 and name HA ))
4.074 0.815 0.815 peak 339 weight 1.00000E+00 volume 1.73764E+05 ppm1 4.003 ppm2 1.719
ASSI { 341}
(( segid " A" and resid 13 and name HB2 ))
(( segid " A" and resid 10 and name HA ))
5.230 1.046 1.046 peak 341 weight 1.00000E+00 volume 3.88303E+04 ppm1 1.427 ppm2 3.547
ASSI { 341}
(( segid " B" and resid 13 and name HB2 ))
(( segid " B" and resid 10 and name HA ))
5.230 1.046 1.046 peak 341 weight 1.00000E+00 volume 3.88303E+04 ppm1 1.427 ppm2 3.547
ASSI { 343}
(( segid " B" and resid 11 and name HG2 ))
(( segid " B" and resid 11 and name HB2 ))
4.127 0.825 0.825 peak 343 weight 1.00000E+00 volume 1.60911E+05 ppm1 2.149 ppm2 2.457
ASSI { 343}
(( segid " A" and resid 11 and name HG2 ))
(( segid " A" and resid 11 and name HB2 ))
4.127 0.825 0.825 peak 343 weight 1.00000E+00 volume 1.60911E+05 ppm1 2.149 ppm2 2.457
ASSI { 344}
(( segid " B" and resid 8 and name HB2 ))
(( segid " B" and resid 12 and name HG1 ))
3.578 0.716 0.716 peak 344 weight 1.00000E+00 volume 3.78502E+05 ppm1 2.604 ppm2 2.880
ASSI { 344}
(( segid " A" and resid 8 and name HB2 ))
(( segid " A" and resid 12 and name HG1 ))
3.578 0.716 0.716 peak 344 weight 1.00000E+00 volume 3.78502E+05 ppm1 2.604 ppm2 2.880
ASSI { 345}
(( segid " A" and resid 13 and name HB1 ))
(( segid " B" and resid 13 and name HG ))
4.568 0.914 0.914 peak 345 weight 1.00000E+00 volume 8.74236E+04 ppm1 2.261 ppm2 2.083
ASSI { 345}
(( segid " B" and resid 13 and name HB1 ))
(( segid " A" and resid 13 and name HG ))
4.568 0.914 0.914 peak 345 weight 1.00000E+00 volume 8.74236E+04 ppm1 2.261 ppm2 2.083
ASSI { 346}
(( segid " A" and resid 3 and name HG2 ))
(( segid " A" and resid 3 and name HA ))
4.232 0.846 0.846 peak 346 weight 1.00000E+00 volume -1.38289E+05 ppm1 4.343 ppm2 1.989
ASSI { 346}
(( segid " B" and resid 3 and name HG2 ))
(( segid " B" and resid 3 and name HA ))
4.232 0.846 0.846 peak 346 weight 1.00000E+00 volume -1.38289E+05 ppm1 4.343 ppm2 1.989
ASSI { 347}
(( segid " B" and resid 4 and name HA ))
(( segid " B" and resid 4 and name HD2 ))
5.502 1.100 1.100 peak 347 weight 1.00000E+00 volume -2.86547E+04 ppm1 4.187 ppm2 0.681
ASSI { 347}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HD2 ))
5.502 1.100 1.100 peak 347 weight 1.00000E+00 volume -2.86547E+04 ppm1 4.187 ppm2 0.681
ASSI { 354}
(( segid " A" and resid 26 and name HB2 ))
(( segid " A" and resid 27 and name HG ))
3.943 0.789 0.789 peak 354 weight 1.00000E+00 volume 2.11442E+05 ppm1 1.908 ppm2 1.441
ASSI { 354}
(( segid " B" and resid 26 and name HB2 ))
(( segid " B" and resid 27 and name HG ))
3.943 0.789 0.789 peak 354 weight 1.00000E+00 volume 2.11442E+05 ppm1 1.908 ppm2 1.441
set message=off echo=off end
end