NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
645743 |
6suu   |
34431 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: G9T_dist.tbl
ASSI { 1}
(( segid " A" and resid 6 and name H1 ))
(( segid " A" and resid 7 and name H1 ))
4.162 0.832 0.832 peak 1 weight 1.00000E+00 volume 1.60000E+06 ppm1 11.898 ppm2 11.560
ASSI { 2}
(( segid " A" and resid 6 and name H1 ))
(( segid " A" and resid 3 and name H1 ))
5.797 1.159 1.159 peak 2 weight 1.00000E+00 volume 2.19000E+05 ppm1 11.899 ppm2 11.241
ASSI { 3}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 2 and name H1 ))
5.006 1.001 1.001 peak 3 weight 1.00000E+00 volume 5.28000E+05 ppm1 11.736 ppm2 11.242
ASSI { 4}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 3 and name H1 ))
4.631 0.926 0.926 peak 4 weight 1.00000E+00 volume 8.43000E+05 ppm1 11.558 ppm2 11.238
ASSI { 5}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 27 and name H1 ))
4.901 0.980 0.980 peak 5 weight 1.00000E+00 volume 6.00000E+05 ppm1 11.223 ppm2 10.854
ASSI { 6}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 28 and name H1 ))
4.753 0.951 0.951 peak 6 weight 1.00000E+00 volume 7.21000E+05 ppm1 11.222 ppm2 10.999
ASSI { 7}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 25 and name H1 ))
5.037 1.007 1.007 peak 7 weight 1.00000E+00 volume 5.09000E+05 ppm1 11.737 ppm2 11.403
ASSI { 8}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 12 and name H1 ))
4.501 0.900 0.900 peak 8 weight 1.00000E+00 volume 1.00000E+06 ppm1 11.774 ppm2 11.396
ASSI { 9}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 11 and name H1 ))
5.001 1.000 1.000 peak 9 weight 1.00000E+00 volume 5.31000E+05 ppm1 11.774 ppm2 11.565
ASSI { 10}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 12 and name H1 ))
4.040 0.808 0.808 peak 10 weight 1.00000E+00 volume 1.91000E+06 ppm1 11.392 ppm2 11.222
ASSI { 11}
(( segid " A" and resid 27 and name H1 ))
(( segid " A" and resid 26 and name H1 ))
4.776 0.955 0.955 peak 11 weight 1.00000E+00 volume 7.00000E+05 ppm1 11.555 ppm2 10.851
ASSI { 12}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 26 and name H1 ))
5.052 1.010 1.010 peak 12 weight 1.00000E+00 volume 5.00000E+05 ppm1 11.561 ppm2 11.400
ASSI { 13}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 26 and name H1 ))
4.921 0.984 0.984 peak 13 weight 1.00000E+00 volume 5.85000E+05 ppm1 11.736 ppm2 11.558
ASSI { 14}
(( segid " A" and resid 6 and name H1 ))
(( segid " A" and resid 2 and name H1 ))
4.694 0.939 0.939 peak 14 weight 1.00000E+00 volume 7.77000E+05 ppm1 11.897 ppm2 11.743
ASSI { 15}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 4 and name H1 ))
4.660 0.932 0.932 peak 15 weight 1.00000E+00 volume 8.12000E+05 ppm1 11.242 ppm2 10.888
ASSI { 16}
(( segid " A" and resid 30 and name H8 ))
(( segid " A" and resid 31 and name H8 ))
3.374 0.675 0.675 peak 16 weight 1.00000E+00 volume 5.63000E+06 ppm1 7.483 ppm2 7.195
ASSI { 17}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 27 and name H8 ))
4.696 0.939 0.939 peak 17 weight 1.00000E+00 volume 7.75000E+05 ppm1 7.847 ppm2 7.289
ASSI { 18}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 28 and name H8 ))
5.197 1.039 1.039 peak 18 weight 1.00000E+00 volume 4.22000E+05 ppm1 7.939 ppm2 7.287
ASSI { 19}
(( segid " A" and resid 4 and name H8 ))
( segid " A" and resid 27 and name H2# )
3.786 0.757 0.757 peak 19 weight 1.00000E+00 volume 2.82000E+06 ppm1 7.643 ppm2 6.870
ASSI { 20}
(( segid " A" and resid 30 and name H8 ))
( segid " A" and resid 28 and name H2# )
4.397 0.879 0.879 peak 20 weight 1.00000E+00 volume 1.15000E+06 ppm1 8.601 ppm2 7.484
ASSI { 21}
(( segid " A" and resid 4 and name H1' ))
(( segid " A" and resid 4 and name H2''))
3.067 0.613 0.613 peak 21 weight 1.00000E+00 volume 9.98000E+06 ppm1 6.500 ppm2 2.823
ASSI { 22}
(( segid " A" and resid 4 and name H1' ))
(( segid " A" and resid 4 and name H2' ))
3.041 0.608 0.608 peak 22 weight 1.00000E+00 volume 1.05000E+07 ppm1 6.496 ppm2 2.897
ASSI { 23}
(( segid " A" and resid 4 and name H1' ))
(( segid " A" and resid 4 and name H4' ))
4.457 0.891 0.891 peak 23 weight 1.00000E+00 volume 1.06000E+06 ppm1 6.498 ppm2 4.390
ASSI { 24}
(( segid " A" and resid 4 and name H1' ))
(( segid " A" and resid 4 and name H3' ))
3.566 0.713 0.713 peak 24 weight 1.00000E+00 volume 4.04000E+06 ppm1 6.497 ppm2 5.226
ASSI { 25}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 4 and name H1' ))
3.754 0.751 0.751 peak 25 weight 1.00000E+00 volume 2.97000E+06 ppm1 7.644 ppm2 6.495
ASSI { 26}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 4 and name H3' ))
3.565 0.713 0.713 peak 26 weight 1.00000E+00 volume 4.05000E+06 ppm1 7.644 ppm2 5.226
ASSI { 27}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 4 and name H4' ))
3.572 0.714 0.714 peak 27 weight 1.00000E+00 volume 4.00000E+06 ppm1 7.646 ppm2 4.388
ASSI { 28}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 4 and name H2''))
2.913 0.583 0.583 peak 28 weight 1.00000E+00 volume 1.36000E+07 ppm1 7.644 ppm2 2.822
ASSI { 29}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 4 and name H2' ))
2.856 0.571 0.571 peak 29 weight 1.00000E+00 volume 1.53000E+07 ppm1 7.645 ppm2 2.893
ASSI { 30}
(( segid " A" and resid 4 and name H2''))
(( segid " A" and resid 4 and name H2' ))
2.379 0.476 0.476 peak 30 weight 1.00000E+00 volume 4.59000E+07 ppm1 2.904 ppm2 2.823
ASSI { 31}
(( segid " A" and resid 28 and name H8 ))
(( segid " A" and resid 28 and name H1' ))
3.717 0.743 0.743 peak 31 weight 1.00000E+00 volume 3.15000E+06 ppm1 7.939 ppm2 5.518
ASSI { 32}
(( segid " A" and resid 28 and name H8 ))
( segid " A" and resid 28 and name H5'*)
3.129 0.626 0.626 peak 32 weight 1.00000E+00 volume 8.86000E+06 ppm1 7.942 ppm2 4.169
ASSI { 33}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 30 and name H1' ))
4.725 0.945 0.945 peak 33 weight 1.00000E+00 volume 7.47000E+05 ppm1 7.195 ppm2 5.807
ASSI { 34}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 30 and name H3' ))
4.853 0.971 0.971 peak 34 weight 1.00000E+00 volume 6.36000E+05 ppm1 7.195 ppm2 4.518
ASSI { 35}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 31 and name H5' ))
3.350 0.670 0.670 peak 35 weight 1.00000E+00 volume 5.88000E+06 ppm1 7.194 ppm2 2.396
ASSI { 36}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 31 and name H5''))
3.037 0.607 0.607 peak 36 weight 1.00000E+00 volume 1.06000E+07 ppm1 7.195 ppm2 3.688
ASSI { 37}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 31 and name H2''))
4.062 0.812 0.812 peak 37 weight 1.00000E+00 volume 1.85000E+06 ppm1 7.195 ppm2 1.649
ASSI { 38}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 31 and name H2' ))
3.417 0.683 0.683 peak 38 weight 1.00000E+00 volume 5.22000E+06 ppm1 7.195 ppm2 2.676
ASSI { 39}
(( segid " A" and resid 31 and name H5''))
(( segid " A" and resid 31 and name H1' ))
4.354 0.871 0.871 peak 39 weight 1.00000E+00 volume 1.22000E+06 ppm1 5.585 ppm2 3.688
ASSI { 40}
(( segid " A" and resid 31 and name H2' ))
(( segid " A" and resid 31 and name H1' ))
2.996 0.599 0.599 peak 40 weight 1.00000E+00 volume 1.15000E+07 ppm1 5.586 ppm2 2.675
ASSI { 41}
(( segid " A" and resid 7 and name H1' ))
( segid " A" and resid 9 and name H5# )
4.512 0.902 0.902 peak 41 weight 1.00000E+00 volume 9.85000E+05 ppm1 6.093 ppm2 2.095
ASSI { 42}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 7 and name H2''))
2.530 0.506 0.506 peak 42 weight 1.00000E+00 volume 3.17000E+07 ppm1 6.094 ppm2 2.643
ASSI { 43}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 7 and name H2' ))
3.351 0.670 0.670 peak 43 weight 1.00000E+00 volume 5.87000E+06 ppm1 6.093 ppm2 2.923
ASSI { 44}
(( segid " A" and resid 7 and name H2''))
(( segid " A" and resid 7 and name H8 ))
3.286 0.657 0.657 peak 44 weight 1.00000E+00 volume 6.60000E+06 ppm1 7.989 ppm2 2.642
ASSI { 45}
(( segid " A" and resid 7 and name H2' ))
(( segid " A" and resid 7 and name H8 ))
3.246 0.649 0.649 peak 45 weight 1.00000E+00 volume 7.10000E+06 ppm1 7.988 ppm2 2.921
ASSI { 46}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 7 and name H4' ))
4.471 0.894 0.894 peak 46 weight 1.00000E+00 volume 1.04000E+06 ppm1 6.093 ppm2 4.454
ASSI { 47}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 7 and name H3' ))
4.136 0.827 0.827 peak 47 weight 1.00000E+00 volume 1.66000E+06 ppm1 6.094 ppm2 5.267
ASSI { 48}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 7 and name H8 ))
3.771 0.754 0.754 peak 48 weight 1.00000E+00 volume 2.89000E+06 ppm1 7.988 ppm2 6.092
ASSI { 49}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 32 and name H2' ))
4.410 0.882 0.882 peak 49 weight 1.00000E+00 volume 1.13000E+06 ppm1 6.093 ppm2 3.469
ASSI { 50}
(( segid " A" and resid 32 and name H2' ))
(( segid " A" and resid 32 and name H1' ))
3.118 0.624 0.624 peak 50 weight 1.00000E+00 volume 9.04000E+06 ppm1 6.412 ppm2 3.469
ASSI { 51}
(( segid " A" and resid 32 and name H1' ))
(( segid " A" and resid 32 and name H4' ))
3.892 0.778 0.778 peak 51 weight 1.00000E+00 volume 2.39000E+06 ppm1 6.411 ppm2 4.215
ASSI { 52}
(( segid " A" and resid 32 and name H4' ))
(( segid " A" and resid 32 and name H8 ))
4.501 0.900 0.900 peak 52 weight 1.00000E+00 volume 1.00000E+06 ppm1 7.763 ppm2 4.215
ASSI { 53}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 7 and name H3' ))
3.492 0.698 0.698 peak 53 weight 1.00000E+00 volume 4.58000E+06 ppm1 7.990 ppm2 5.265
ASSI { 54}
(( segid " A" and resid 32 and name H8 ))
(( segid " A" and resid 32 and name H3' ))
4.010 0.802 0.802 peak 54 weight 1.00000E+00 volume 2.00000E+06 ppm1 7.765 ppm2 4.894
ASSI { 55}
(( segid " A" and resid 8 and name H1' ))
(( segid " A" and resid 8 and name H3' ))
3.884 0.777 0.777 peak 55 weight 1.00000E+00 volume 2.42000E+06 ppm1 6.460 ppm2 4.952
ASSI { 56}
(( segid " A" and resid 32 and name H1' ))
(( segid " A" and resid 32 and name H8 ))
2.681 0.536 0.536 peak 56 weight 1.00000E+00 volume 2.24000E+07 ppm1 7.761 ppm2 6.410
ASSI { 57}
(( segid " A" and resid 7 and name H4' ))
(( segid " A" and resid 7 and name H3' ))
3.760 0.752 0.752 peak 57 weight 1.00000E+00 volume 2.94000E+06 ppm1 5.267 ppm2 4.454
ASSI { 58}
(( segid " A" and resid 7 and name H2' ))
(( segid " A" and resid 7 and name H3' ))
3.442 0.688 0.688 peak 58 weight 1.00000E+00 volume 5.00000E+06 ppm1 5.266 ppm2 2.923
ASSI { 59}
(( segid " A" and resid 7 and name H2''))
(( segid " A" and resid 7 and name H3' ))
3.360 0.672 0.672 peak 59 weight 1.00000E+00 volume 5.78000E+06 ppm1 5.267 ppm2 2.642
ASSI { 60}
(( segid " A" and resid 8 and name H1' ))
(( segid " A" and resid 8 and name H2''))
3.398 0.680 0.680 peak 60 weight 1.00000E+00 volume 5.40000E+06 ppm1 6.461 ppm2 2.507
ASSI { 61}
(( segid " A" and resid 32 and name H2' ))
(( segid " A" and resid 32 and name H8 ))
3.895 0.779 0.779 peak 61 weight 1.00000E+00 volume 2.38000E+06 ppm1 7.761 ppm2 3.469
ASSI { 62}
(( segid " A" and resid 31 and name H5''))
(( segid " A" and resid 32 and name H8 ))
6.606 1.321 1.321 peak 62 weight 1.00000E+00 volume 1.00000E+05 ppm1 7.761 ppm2 3.689
ASSI { 63}
(( segid " A" and resid 31 and name H5''))
(( segid " A" and resid 32 and name H1' ))
5.775 1.155 1.155 peak 63 weight 1.00000E+00 volume 2.24000E+05 ppm1 6.411 ppm2 3.687
ASSI { 64}
(( segid " A" and resid 7 and name H2''))
(( segid " A" and resid 7 and name H2' ))
2.741 0.548 0.548 peak 64 weight 1.00000E+00 volume 1.96000E+07 ppm1 2.924 ppm2 2.642
ASSI { 65}
(( segid " A" and resid 8 and name H2''))
(( segid " A" and resid 8 and name H6 ))
2.720 0.544 0.544 peak 65 weight 1.00000E+00 volume 2.05000E+07 ppm1 7.886 ppm2 2.507
ASSI { 66}
( segid " A" and resid 9 and name H5# )
(( segid " A" and resid 32 and name H1' ))
4.010 0.802 0.802 peak 66 weight 1.00000E+00 volume 2.00000E+06 ppm1 6.409 ppm2 2.103
ASSI { 67}
(( segid " A" and resid 9 and name H6 ))
(( segid " A" and resid 9 and name H2''))
2.592 0.518 0.518 peak 67 weight 1.00000E+00 volume 2.74000E+07 ppm1 7.887 ppm2 2.598
ASSI { 68}
(( segid " A" and resid 9 and name H6 ))
(( segid " A" and resid 9 and name H2' ))
3.121 0.624 0.624 peak 68 weight 1.00000E+00 volume 9.00000E+06 ppm1 7.886 ppm2 2.653
ASSI { 69}
(( segid " A" and resid 9 and name H1' ))
(( segid " A" and resid 8 and name H4' ))
3.926 0.785 0.785 peak 69 weight 1.00000E+00 volume 2.27000E+06 ppm1 6.523 ppm2 4.523
ASSI { 70}
(( segid " A" and resid 8 and name H6 ))
(( segid " A" and resid 8 and name H4' ))
3.955 0.791 0.791 peak 70 weight 1.00000E+00 volume 2.17000E+06 ppm1 7.886 ppm2 4.522
ASSI { 71}
(( segid " A" and resid 9 and name H6 ))
(( segid " A" and resid 9 and name H3' ))
3.424 0.685 0.685 peak 71 weight 1.00000E+00 volume 5.16000E+06 ppm1 7.887 ppm2 5.033
ASSI { 72}
(( segid " A" and resid 7 and name H3' ))
(( segid " A" and resid 8 and name H6 ))
7.219 1.444 0.781 peak 72 weight 1.00000E+00 volume 5.87000E+04 ppm1 7.887 ppm2 5.266
ASSI { 73}
(( segid " A" and resid 9 and name H6 ))
(( segid " A" and resid 9 and name H1' ))
2.939 0.588 0.588 peak 73 weight 1.00000E+00 volume 1.29000E+07 ppm1 7.887 ppm2 6.521
ASSI { 74}
(( segid " A" and resid 9 and name H1' ))
(( segid " A" and resid 9 and name H3' ))
4.226 0.845 0.845 peak 74 weight 1.00000E+00 volume 1.46000E+06 ppm1 6.522 ppm2 5.034
ASSI { 75}
(( segid " A" and resid 9 and name H2''))
(( segid " A" and resid 9 and name H2' ))
1.936 0.216 0.387 peak 75 weight 1.00000E+00 volume 1.58000E+08 ppm1 2.659 ppm2 2.600
ASSI { 76}
(( segid " A" and resid 31 and name H8 ))
( segid " A" and resid 28 and name H2# )
4.671 0.934 0.934 peak 76 weight 1.00000E+00 volume 8.00000E+05 ppm1 8.600 ppm2 7.195
ASSI { 77}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 30 and name H2 ))
3.389 0.678 0.678 peak 77 weight 1.00000E+00 volume 5.49000E+06 ppm1 7.644 ppm2 7.489
ASSI { 78}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 26 and name H1' ))
3.238 0.648 0.648 peak 78 weight 1.00000E+00 volume 7.21000E+06 ppm1 7.847 ppm2 5.963
ASSI { 79}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 27 and name H1' ))
3.114 0.623 0.623 peak 79 weight 1.00000E+00 volume 9.11000E+06 ppm1 7.288 ppm2 6.016
ASSI { 80}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 26 and name H1' ))
3.146 0.629 0.629 peak 80 weight 1.00000E+00 volume 8.57000E+06 ppm1 7.289 ppm2 5.968
ASSI { 81}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 26 and name H3' ))
3.572 0.714 0.714 peak 81 weight 1.00000E+00 volume 4.00000E+06 ppm1 7.847 ppm2 5.098
ASSI { 82}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 26 and name H3' ))
4.584 0.917 0.917 peak 82 weight 1.00000E+00 volume 8.96000E+05 ppm1 7.289 ppm2 5.095
ASSI { 83}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 27 and name H3' ))
4.211 0.842 0.842 peak 83 weight 1.00000E+00 volume 1.49000E+06 ppm1 7.289 ppm2 4.934
ASSI { 84}
(( segid " A" and resid 26 and name H1' ))
(( segid " A" and resid 26 and name H3' ))
3.481 0.696 0.696 peak 84 weight 1.00000E+00 volume 4.67000E+06 ppm1 5.967 ppm2 5.094
ASSI { 85}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 26 and name H4' ))
4.140 0.828 0.828 peak 85 weight 1.00000E+00 volume 1.65000E+06 ppm1 7.848 ppm2 4.521
ASSI { 86}
(( segid " A" and resid 26 and name H1' ))
(( segid " A" and resid 26 and name H4' ))
3.587 0.717 0.717 peak 86 weight 1.00000E+00 volume 3.90000E+06 ppm1 5.968 ppm2 4.515
ASSI { 87}
(( segid " A" and resid 27 and name H8 ))
( segid " A" and resid 27 and name H5'*)
2.913 0.583 0.583 peak 87 weight 1.00000E+00 volume 1.36000E+07 ppm1 7.289 ppm2 4.222
ASSI { 88}
(( segid " A" and resid 27 and name H1' ))
( segid " A" and resid 27 and name H5'*)
4.378 0.876 0.876 peak 88 weight 1.00000E+00 volume 1.18000E+06 ppm1 6.016 ppm2 4.225
ASSI { 89}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 27 and name H4' ))
4.972 0.994 0.994 peak 89 weight 1.00000E+00 volume 5.50000E+05 ppm1 7.289 ppm2 4.484
ASSI { 90}
(( segid " A" and resid 27 and name H1' ))
(( segid " A" and resid 27 and name H4' ))
4.493 0.899 0.899 peak 90 weight 1.00000E+00 volume 1.01000E+06 ppm1 6.016 ppm2 4.485
ASSI { 91}
(( segid " A" and resid 26 and name H1' ))
(( segid " A" and resid 26 and name H2''))
3.442 0.688 0.688 peak 91 weight 1.00000E+00 volume 5.00000E+06 ppm1 5.968 ppm2 2.650
ASSI { 92}
(( segid " A" and resid 26 and name H1' ))
(( segid " A" and resid 26 and name H2' ))
3.134 0.627 0.627 peak 92 weight 1.00000E+00 volume 8.77000E+06 ppm1 5.967 ppm2 2.715
ASSI { 93}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 26 and name H2''))
3.181 0.636 0.636 peak 93 weight 1.00000E+00 volume 8.02000E+06 ppm1 7.847 ppm2 2.648
ASSI { 94}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 26 and name H2' ))
3.142 0.628 0.628 peak 94 weight 1.00000E+00 volume 8.64000E+06 ppm1 7.847 ppm2 2.716
ASSI { 95}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 26 and name H2''))
3.665 0.733 0.733 peak 95 weight 1.00000E+00 volume 3.43000E+06 ppm1 7.289 ppm2 2.648
ASSI { 96}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 26 and name H2' ))
3.394 0.679 0.679 peak 96 weight 1.00000E+00 volume 5.44000E+06 ppm1 7.289 ppm2 2.716
ASSI { 97}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 27 and name H2' ))
3.498 0.700 0.700 peak 97 weight 1.00000E+00 volume 4.54000E+06 ppm1 7.289 ppm2 2.139
ASSI { 98}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 27 and name H2''))
3.121 0.624 0.624 peak 98 weight 1.00000E+00 volume 9.00000E+06 ppm1 7.289 ppm2 1.642
ASSI { 99}
(( segid " A" and resid 27 and name H1' ))
(( segid " A" and resid 27 and name H2' ))
3.391 0.678 0.678 peak 99 weight 1.00000E+00 volume 5.47000E+06 ppm1 6.016 ppm2 2.139
ASSI { 100}
(( segid " A" and resid 27 and name H1' ))
(( segid " A" and resid 27 and name H2''))
3.637 0.727 0.727 peak 100 weight 1.00000E+00 volume 3.59000E+06 ppm1 6.016 ppm2 1.643
ASSI { 101}
(( segid " A" and resid 27 and name H2' ))
(( segid " A" and resid 27 and name H2''))
2.610 0.522 0.522 peak 101 weight 1.00000E+00 volume 2.63000E+07 ppm1 2.139 ppm2 1.642
ASSI { 102}
(( segid " A" and resid 28 and name H8 ))
(( segid " A" and resid 27 and name H2' ))
3.762 0.752 0.752 peak 102 weight 1.00000E+00 volume 2.93000E+06 ppm1 7.939 ppm2 2.140
ASSI { 103}
(( segid " A" and resid 28 and name H8 ))
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ASSI { 104}
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( segid " A" and resid 6 and name H2# )
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ASSI { 105}
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3.442 0.688 0.688 peak 105 weight 1.00000E+00 volume 5.00000E+06 ppm1 10.889 ppm2 9.440
ASSI { 106}
(( segid " A" and resid 6 and name H1 ))
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6.246 1.249 1.249 peak 106 weight 1.00000E+00 volume 1.40000E+05 ppm1 11.898 ppm2 2.090
ASSI { 107}
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3.329 0.666 0.666 peak 107 weight 1.00000E+00 volume 6.11000E+06 ppm1 7.886 ppm2 2.056
ASSI { 108}
( segid " A" and resid 9 and name H5# )
(( segid " A" and resid 9 and name H6 ))
3.303 0.661 0.661 peak 108 weight 1.00000E+00 volume 6.40000E+06 ppm1 7.886 ppm2 2.096
ASSI { 109}
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(( segid " A" and resid 5 and name H1' ))
3.748 0.750 0.750 peak 109 weight 1.00000E+00 volume 3.00000E+06 ppm1 8.089 ppm2 6.532
ASSI { 110}
(( segid " A" and resid 5 and name H6 ))
(( segid " A" and resid 5 and name H5 ))
2.659 0.532 0.532 peak 110 weight 1.00000E+00 volume 2.35000E+07 ppm1 8.091 ppm2 6.252
ASSI { 111}
(( segid " A" and resid 5 and name H1' ))
(( segid " A" and resid 5 and name H3' ))
4.188 0.838 0.838 peak 111 weight 1.00000E+00 volume 1.54000E+06 ppm1 6.534 ppm2 5.142
ASSI { 112}
(( segid " A" and resid 5 and name H6 ))
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3.046 0.609 0.609 peak 112 weight 1.00000E+00 volume 1.04000E+07 ppm1 8.088 ppm2 5.135
ASSI { 113}
(( segid " A" and resid 5 and name H1' ))
(( segid " A" and resid 5 and name H4' ))
5.090 1.018 1.018 peak 113 weight 1.00000E+00 volume 4.78000E+05 ppm1 6.531 ppm2 4.390
ASSI { 114}
(( segid " A" and resid 5 and name H6 ))
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3.051 0.610 0.610 peak 114 weight 1.00000E+00 volume 1.03000E+07 ppm1 8.086 ppm2 4.389
ASSI { 115}
(( segid " A" and resid 5 and name H1' ))
(( segid " A" and resid 5 and name H2''))
3.748 0.750 0.750 peak 115 weight 1.00000E+00 volume 3.00000E+06 ppm1 6.534 ppm2 2.504
ASSI { 116}
(( segid " A" and resid 5 and name H1' ))
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3.442 0.688 0.688 peak 116 weight 1.00000E+00 volume 5.00000E+06 ppm1 6.534 ppm2 2.825
ASSI { 117}
(( segid " A" and resid 5 and name H6 ))
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3.346 0.669 0.669 peak 117 weight 1.00000E+00 volume 5.92000E+06 ppm1 8.089 ppm2 2.820
ASSI { 118}
(( segid " A" and resid 5 and name H6 ))
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3.308 0.662 0.662 peak 118 weight 1.00000E+00 volume 6.34000E+06 ppm1 8.089 ppm2 2.508
ASSI { 119}
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4.000 0.800 0.800 peak 119 weight 1.00000E+00 volume 2.03000E+06 ppm1 5.144 ppm2 2.503
ASSI { 120}
(( segid " A" and resid 5 and name H3' ))
(( segid " A" and resid 5 and name H2' ))
3.917 0.783 0.783 peak 120 weight 1.00000E+00 volume 2.30000E+06 ppm1 5.144 ppm2 2.823
ASSI { 121}
(( segid " A" and resid 5 and name H2''))
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ASSI { 122}
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ASSI { 123}
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ASSI { 124}
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ASSI { 125}
(( segid " A" and resid 7 and name H1 ))
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ASSI { 126}
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ASSI { 127}
(( segid " A" and resid 4 and name H1 ))
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ASSI { 128}
(( segid " A" and resid 4 and name H1 ))
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ASSI { 129}
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ASSI { 130}
(( segid " A" and resid 13 and name H1 ))
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ASSI { 131}
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ASSI { 132}
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ASSI { 133}
(( segid " A" and resid 30 and name H1' ))
(( segid " A" and resid 30 and name H2' ))
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ASSI { 134}
(( segid " A" and resid 30 and name H8 ))
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ASSI { 135}
(( segid " A" and resid 30 and name H1' ))
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4.619 0.924 0.924 peak 135 weight 1.00000E+00 volume 8.56000E+05 ppm1 5.809 ppm2 4.074
ASSI { 136}
(( segid " A" and resid 30 and name H8 ))
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ASSI { 137}
(( segid " A" and resid 30 and name H8 ))
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ASSI { 138}
(( segid " A" and resid 30 and name H8 ))
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ASSI { 139}
(( segid " A" and resid 31 and name H8 ))
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ASSI { 140}
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ASSI { 141}
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ASSI { 142}
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ASSI { 143}
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ASSI { 144}
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ASSI { 145}
(( segid " A" and resid 30 and name H8 ))
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ASSI { 146}
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ASSI { 147}
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ASSI { 148}
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ASSI { 149}
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ASSI { 150}
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ASSI { 151}
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ASSI { 152}
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ASSI { 153}
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ASSI { 154}
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(( segid " A" and resid 11 and name H1' ))
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ASSI { 155}
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ASSI { 156}
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ASSI { 157}
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ASSI { 158}
(( segid " A" and resid 11 and name H1' ))
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ASSI { 159}
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(( segid " A" and resid 11 and name H8 ))
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ASSI { 160}
(( segid " A" and resid 11 and name H2''))
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3.000 0.600 0.600 peak 160 weight 1.00000E+00 volume 1.14000E+07 ppm1 8.100 ppm2 2.913
ASSI { 161}
(( segid " A" and resid 11 and name H2' ))
(( segid " A" and resid 11 and name H8 ))
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ASSI { 162}
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ASSI { 163}
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ASSI { 164}
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ASSI { 165}
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ASSI { 166}
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ASSI { 167}
(( segid " A" and resid 31 and name H8 ))
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ASSI { 168}
(( segid " A" and resid 31 and name H8 ))
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ASSI { 169}
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ASSI { 170}
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ASSI { 171}
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ASSI { 172}
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ASSI { 173}
(( segid " A" and resid 31 and name H8 ))
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ASSI { 174}
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ASSI { 175}
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ASSI { 176}
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ASSI { 177}
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ASSI { 178}
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(( segid " A" and resid 4 and name H3' ))
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ASSI { 179}
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ASSI { 180}
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ASSI { 181}
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(( segid " A" and resid 6 and name H3' ))
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ASSI { 182}
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ASSI { 183}
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(( segid " A" and resid 6 and name H3' ))
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ASSI { 184}
(( segid " A" and resid 6 and name H8 ))
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ASSI { 185}
(( segid " A" and resid 6 and name H1' ))
( segid " A" and resid 6 and name H5'*)
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ASSI { 186}
(( segid " A" and resid 6 and name H1' ))
(( segid " A" and resid 6 and name H2''))
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ASSI { 187}
(( segid " A" and resid 6 and name H8 ))
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ASSI { 188}
(( segid " A" and resid 6 and name H8 ))
(( segid " A" and resid 6 and name H2''))
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ASSI { 189}
(( segid " A" and resid 7 and name H8 ))
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ASSI { 190}
(( segid " A" and resid 7 and name H8 ))
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ASSI { 191}
(( segid " A" and resid 6 and name H1' ))
(( segid " A" and resid 6 and name H2' ))
4.048 0.810 0.810 peak 191 weight 1.00000E+00 volume 1.89000E+06 ppm1 6.213 ppm2 2.960
ASSI { 192}
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(( segid " A" and resid 6 and name H2''))
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ASSI { 193}
(( segid " A" and resid 6 and name H3' ))
(( segid " A" and resid 6 and name H2' ))
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ASSI { 194}
(( segid " A" and resid 6 and name H2''))
(( segid " A" and resid 6 and name H2' ))
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ASSI { 195}
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ASSI { 196}
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(( segid " A" and resid 20 and name H1' ))
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ASSI { 197}
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ASSI { 198}
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(( segid " A" and resid 21 and name H1' ))
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ASSI { 199}
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(( segid " A" and resid 22 and name H1' ))
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ASSI { 200}
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(( segid " A" and resid 20 and name H3' ))
3.762 0.752 0.752 peak 200 weight 1.00000E+00 volume 2.93000E+06 ppm1 7.817 ppm2 4.826
ASSI { 201}
(( segid " A" and resid 20 and name H1' ))
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ASSI { 202}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 20 and name H5''))
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ASSI { 203}
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(( segid " A" and resid 20 and name H5' ))
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ASSI { 204}
(( segid " A" and resid 20 and name H8 ))
(( segid " A" and resid 20 and name H5''))
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ASSI { 205}
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ASSI { 206}
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ASSI { 207}
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ASSI { 208}
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ASSI { 209}
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ASSI { 210}
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ASSI { 211}
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ASSI { 212}
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ASSI { 213}
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ASSI { 214}
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ASSI { 215}
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ASSI { 216}
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ASSI { 217}
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ASSI { 218}
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ASSI { 219}
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ASSI { 220}
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ASSI { 221}
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ASSI { 222}
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ASSI { 223}
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ASSI { 224}
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ASSI { 225}
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ASSI { 226}
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ASSI { 227}
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ASSI { 228}
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ASSI { 229}
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ASSI { 230}
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ASSI { 231}
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ASSI { 232}
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ASSI { 233}
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ASSI { 234}
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ASSI { 235}
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ASSI { 236}
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ASSI { 237}
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ASSI { 238}
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ASSI { 239}
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ASSI { 240}
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ASSI { 241}
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ASSI { 242}
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ASSI { 243}
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ASSI { 244}
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ASSI { 245}
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ASSI { 246}
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ASSI { 247}
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ASSI { 248}
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ASSI { 249}
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ASSI { 250}
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ASSI { 251}
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ASSI { 252}
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ASSI { 253}
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ASSI { 254}
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ASSI { 255}
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ASSI { 256}
(( segid " A" and resid 28 and name H8 ))
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ASSI { 257}
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ASSI { 258}
(( segid " A" and resid 29 and name H1' ))
(( segid " A" and resid 29 and name H8 ))
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ASSI { 259}
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ASSI { 260}
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ASSI { 261}
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ASSI { 262}
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ASSI { 263}
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ASSI { 264}
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ASSI { 265}
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ASSI { 266}
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ASSI { 267}
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ASSI { 268}
(( segid " A" and resid 29 and name H1' ))
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ASSI { 269}
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ASSI { 270}
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ASSI { 271}
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ASSI { 272}
(( segid " A" and resid 29 and name H1' ))
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ASSI { 273}
(( segid " A" and resid 28 and name H1' ))
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ASSI { 274}
(( segid " A" and resid 28 and name H1' ))
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ASSI { 275}
(( segid " A" and resid 28 and name H1' ))
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ASSI { 276}
(( segid " A" and resid 28 and name H1' ))
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ASSI { 277}
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ASSI { 278}
(( segid " A" and resid 29 and name H8 ))
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ASSI { 279}
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ASSI { 280}
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ASSI { 281}
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ASSI { 282}
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(( segid " A" and resid 28 and name H3' ))
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ASSI { 283}
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( segid " A" and resid 29 and name H5'*)
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ASSI { 284}
(( segid " A" and resid 28 and name H2''))
(( segid " A" and resid 28 and name H2' ))
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ASSI { 285}
(( segid " A" and resid 29 and name H2''))
(( segid " A" and resid 29 and name H2' ))
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ASSI { 286}
(( segid " A" and resid 29 and name H2''))
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ASSI { 287}
(( segid " A" and resid 29 and name H2' ))
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ASSI { 288}
(( segid " A" and resid 29 and name H2''))
( segid " A" and resid 29 and name H5'*)
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ASSI { 289}
(( segid " A" and resid 29 and name H2' ))
( segid " A" and resid 29 and name H5'*)
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ASSI { 290}
(( segid " A" and resid 28 and name H2' ))
( segid " A" and resid 29 and name H5'*)
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ASSI { 291}
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ASSI { 292}
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ASSI { 293}
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ASSI { 294}
(( segid " A" and resid 9 and name H1' ))
(( segid " A" and resid 10 and name H2''))
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ASSI { 295}
(( segid " A" and resid 28 and name H1' ))
(( segid " A" and resid 27 and name H2''))
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ASSI { 296}
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ASSI { 297}
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(( segid " A" and resid 2 and name H2''))
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ASSI { 298}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 2 and name H2' ))
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ASSI { 299}
(( segid " A" and resid 2 and name H2''))
(( segid " A" and resid 2 and name H1' ))
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ASSI { 300}
(( segid " A" and resid 2 and name H2' ))
(( segid " A" and resid 2 and name H1' ))
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ASSI { 301}
(( segid " A" and resid 2 and name H8 ))
( segid " A" and resid 2 and name H5'*)
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ASSI { 302}
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( segid " A" and resid 2 and name H5'*)
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ASSI { 303}
(( segid " A" and resid 2 and name H8 ))
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ASSI { 304}
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ASSI { 305}
(( segid " A" and resid 2 and name H8 ))
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ASSI { 306}
(( segid " A" and resid 2 and name H1' ))
(( segid " A" and resid 2 and name H3' ))
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ASSI { 307}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 2 and name H1' ))
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ASSI { 308}
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(( segid " A" and resid 2 and name H3' ))
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ASSI { 309}
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(( segid " A" and resid 2 and name H3' ))
3.339 0.668 0.668 peak 309 weight 1.00000E+00 volume 6.00000E+06 ppm1 5.091 ppm2 4.522
ASSI { 310}
(( segid " A" and resid 2 and name H2' ))
(( segid " A" and resid 2 and name H3' ))
3.611 0.722 0.722 peak 310 weight 1.00000E+00 volume 3.75000E+06 ppm1 5.088 ppm2 3.160
ASSI { 311}
(( segid " A" and resid 2 and name H2''))
(( segid " A" and resid 2 and name H3' ))
3.144 0.629 0.629 peak 311 weight 1.00000E+00 volume 8.60000E+06 ppm1 5.093 ppm2 2.871
ASSI { 312}
(( segid " A" and resid 2 and name H2''))
( segid " A" and resid 2 and name H5'*)
3.450 0.690 0.690 peak 312 weight 1.00000E+00 volume 4.93000E+06 ppm1 4.172 ppm2 2.870
ASSI { 313}
(( segid " A" and resid 2 and name H2' ))
( segid " A" and resid 2 and name H5'*)
4.841 0.968 0.968 peak 313 weight 1.00000E+00 volume 6.46000E+05 ppm1 4.176 ppm2 3.167
ASSI { 314}
(( segid " A" and resid 2 and name H2''))
(( segid " A" and resid 2 and name H2' ))
2.758 0.552 0.552 peak 314 weight 1.00000E+00 volume 1.89000E+07 ppm1 3.167 ppm2 2.865
ASSI { 315}
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(( segid " A" and resid 32 and name H1 ))
4.869 0.974 0.974 peak 315 weight 1.00000E+00 volume 6.24000E+05 ppm1 11.483 ppm2 10.889
ASSI { 316}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 32 and name H1 ))
5.052 1.010 1.010 peak 316 weight 1.00000E+00 volume 5.00000E+05 ppm1 11.483 ppm2 11.224
ASSI { 317}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 32 and name H1 ))
4.501 0.900 0.900 peak 317 weight 1.00000E+00 volume 1.00000E+06 ppm1 11.559 ppm2 11.487
ASSI { 318}
(( segid " A" and resid 30 and name H8 ))
(( segid " A" and resid 31 and name H1' ))
6.512 1.302 1.302 peak 318 weight 1.00000E+00 volume 1.09000E+05 ppm1 7.484 ppm2 5.587
ASSI { 319}
(( segid " A" and resid 31 and name H1' ))
(( segid " A" and resid 32 and name H1 ))
4.308 0.862 0.862 peak 319 weight 1.00000E+00 volume 1.30000E+06 ppm1 11.483 ppm2 5.587
ASSI { 320}
(( segid " A" and resid 4 and name H1 ))
(( segid " A" and resid 30 and name H1' ))
3.802 0.760 0.760 peak 320 weight 1.00000E+00 volume 2.75000E+06 ppm1 10.890 ppm2 5.807
ASSI { 321}
(( segid " A" and resid 27 and name H1 ))
(( segid " A" and resid 28 and name H1' ))
5.243 1.049 1.049 peak 321 weight 1.00000E+00 volume 4.00000E+05 ppm1 10.849 ppm2 5.520
ASSI { 322}
( segid " A" and resid 28 and name H2# )
(( segid " A" and resid 28 and name H1' ))
4.842 0.968 0.968 peak 322 weight 1.00000E+00 volume 6.45000E+05 ppm1 8.607 ppm2 5.520
ASSI { 323}
(( segid " A" and resid 28 and name H1 ))
(( segid " A" and resid 28 and name H1' ))
4.902 0.980 0.980 peak 323 weight 1.00000E+00 volume 5.99000E+05 ppm1 11.000 ppm2 5.525
ASSI { 324}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 30 and name H1' ))
4.937 0.987 0.987 peak 324 weight 1.00000E+00 volume 5.74000E+05 ppm1 11.237 ppm2 5.809
ASSI { 325}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 6 and name H1' ))
3.949 0.790 0.790 peak 325 weight 1.00000E+00 volume 2.19000E+06 ppm1 11.240 ppm2 6.192
ASSI { 326}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 7 and name H1' ))
4.671 0.934 0.934 peak 326 weight 1.00000E+00 volume 8.00000E+05 ppm1 11.237 ppm2 6.096
ASSI { 327}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 26 and name H1' ))
4.901 0.980 0.980 peak 327 weight 1.00000E+00 volume 6.00000E+05 ppm1 11.399 ppm2 5.970
ASSI { 328}
(( segid " A" and resid 26 and name H1 ))
( segid " A" and resid 27 and name H2# )
3.512 0.702 0.702 peak 328 weight 1.00000E+00 volume 4.43000E+06 ppm1 11.558 ppm2 6.883
ASSI { 329}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 7 and name H1' ))
3.546 0.709 0.709 peak 329 weight 1.00000E+00 volume 4.18000E+06 ppm1 11.559 ppm2 6.093
ASSI { 330}
(( segid " A" and resid 26 and name H1 ))
(( segid " A" and resid 26 and name H1' ))
5.501 1.100 1.100 peak 330 weight 1.00000E+00 volume 3.00000E+05 ppm1 11.557 ppm2 5.970
ASSI { 331}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 25 and name H1' ))
5.690 1.138 1.138 peak 331 weight 1.00000E+00 volume 2.45000E+05 ppm1 11.775 ppm2 6.090
ASSI { 332}
(( segid " A" and resid 6 and name H1 ))
(( segid " A" and resid 7 and name H1' ))
4.901 0.980 0.980 peak 332 weight 1.00000E+00 volume 6.00000E+05 ppm1 11.899 ppm2 6.098
ASSI { 333}
(( segid " A" and resid 6 and name H1 ))
(( segid " A" and resid 9 and name H1' ))
3.762 0.752 0.752 peak 333 weight 1.00000E+00 volume 2.93000E+06 ppm1 11.899 ppm2 6.515
ASSI { 334}
(( segid " A" and resid 28 and name H1 ))
(( segid " A" and resid 30 and name H3' ))
6.332 1.266 1.266 peak 334 weight 1.00000E+00 volume 1.29000E+05 ppm1 10.999 ppm2 4.530
ASSI { 335}
(( segid " A" and resid 4 and name H1 ))
(( segid " A" and resid 30 and name H3' ))
5.243 1.049 1.049 peak 335 weight 1.00000E+00 volume 4.00000E+05 ppm1 10.890 ppm2 4.521
ASSI { 336}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 5 and name H4' ))
4.965 0.993 0.993 peak 336 weight 1.00000E+00 volume 5.55000E+05 ppm1 11.242 ppm2 4.397
ASSI { 337}
(( segid " A" and resid 31 and name H2' ))
(( segid " A" and resid 32 and name H1 ))
5.371 1.074 1.074 peak 337 weight 1.00000E+00 volume 3.46000E+05 ppm1 11.483 ppm2 2.674
ASSI { 338}
(( segid " A" and resid 30 and name H1' ))
(( segid " A" and resid 30 and name H2''))
2.613 0.523 0.523 peak 338 weight 1.00000E+00 volume 2.61000E+07 ppm1 5.806 ppm2 2.485
ASSI { 339}
(( segid " A" and resid 30 and name H1' ))
(( segid " A" and resid 31 and name H5''))
4.792 0.958 0.958 peak 339 weight 1.00000E+00 volume 6.86000E+05 ppm1 5.806 ppm2 3.688
ASSI { 340}
(( segid " A" and resid 31 and name H5''))
(( segid " A" and resid 31 and name H2''))
3.935 0.787 0.787 peak 340 weight 1.00000E+00 volume 2.24000E+06 ppm1 3.689 ppm2 1.652
ASSI { 341}
(( segid " A" and resid 30 and name H2' ))
(( segid " A" and resid 30 and name H2''))
2.407 0.481 0.481 peak 341 weight 1.00000E+00 volume 4.27000E+07 ppm1 2.742 ppm2 2.487
ASSI { 342}
(( segid " A" and resid 31 and name H2''))
(( segid " A" and resid 31 and name H2' ))
2.480 0.496 0.496 peak 342 weight 1.00000E+00 volume 3.57000E+07 ppm1 2.674 ppm2 1.648
ASSI { 343}
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(( segid " A" and resid 3 and name H8 ))
4.501 0.900 0.900 peak 343 weight 1.00000E+00 volume 1.00000E+06 ppm1 7.518 ppm2 6.869
ASSI { 344}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H1' ))
3.442 0.688 0.688 peak 344 weight 1.00000E+00 volume 5.00000E+06 ppm1 7.519 ppm2 6.184
ASSI { 345}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H4' ))
4.073 0.815 0.815 peak 345 weight 1.00000E+00 volume 1.82000E+06 ppm1 7.519 ppm2 4.537
ASSI { 346}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H5''))
3.442 0.688 0.688 peak 346 weight 1.00000E+00 volume 5.00000E+06 ppm1 7.520 ppm2 4.409
ASSI { 347}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H5' ))
3.442 0.688 0.688 peak 347 weight 1.00000E+00 volume 5.00000E+06 ppm1 7.520 ppm2 4.342
ASSI { 348}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H2' ))
3.239 0.648 0.648 peak 348 weight 1.00000E+00 volume 7.20000E+06 ppm1 7.519 ppm2 2.961
ASSI { 349}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H2''))
2.750 0.550 0.550 peak 349 weight 1.00000E+00 volume 1.92000E+07 ppm1 7.522 ppm2 2.592
ASSI { 350}
(( segid " A" and resid 6 and name H1' ))
(( segid " A" and resid 6 and name H4' ))
3.307 0.661 0.661 peak 350 weight 1.00000E+00 volume 6.35000E+06 ppm1 6.214 ppm2 4.454
ASSI { 351}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 3 and name H8 ))
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ASSI { 352}
(( segid " A" and resid 25 and name H8 ))
(( segid " A" and resid 25 and name H2''))
2.741 0.548 0.548 peak 352 weight 1.00000E+00 volume 1.96000E+07 ppm1 8.083 ppm2 2.720
ASSI { 353}
(( segid " A" and resid 25 and name H8 ))
(( segid " A" and resid 25 and name H2' ))
3.121 0.624 0.624 peak 353 weight 1.00000E+00 volume 9.00000E+06 ppm1 8.083 ppm2 2.992
ASSI { 354}
(( segid " A" and resid 25 and name H1' ))
(( segid " A" and resid 25 and name H2' ))
2.885 0.577 0.577 peak 354 weight 1.00000E+00 volume 1.44000E+07 ppm1 6.108 ppm2 3.000
ASSI { 355}
(( segid " A" and resid 25 and name H1' ))
(( segid " A" and resid 25 and name H2''))
2.589 0.518 0.518 peak 355 weight 1.00000E+00 volume 2.76000E+07 ppm1 6.106 ppm2 2.721
ASSI { 356}
(( segid " A" and resid 25 and name H1' ))
( segid " A" and resid 25 and name H5'*)
4.016 0.803 0.803 peak 356 weight 1.00000E+00 volume 1.98000E+06 ppm1 6.102 ppm2 4.247
ASSI { 357}
(( segid " A" and resid 25 and name H8 ))
( segid " A" and resid 25 and name H5'*)
3.402 0.680 0.680 peak 357 weight 1.00000E+00 volume 5.36000E+06 ppm1 8.085 ppm2 4.250
ASSI { 358}
(( segid " A" and resid 25 and name H1' ))
(( segid " A" and resid 25 and name H4' ))
4.016 0.803 0.803 peak 358 weight 1.00000E+00 volume 1.98000E+06 ppm1 6.108 ppm2 4.528
ASSI { 359}
(( segid " A" and resid 25 and name H8 ))
(( segid " A" and resid 25 and name H4' ))
3.670 0.734 0.734 peak 359 weight 1.00000E+00 volume 3.40000E+06 ppm1 8.088 ppm2 4.534
ASSI { 360}
(( segid " A" and resid 25 and name H1' ))
(( segid " A" and resid 25 and name H3' ))
3.142 0.628 0.628 peak 360 weight 1.00000E+00 volume 8.63000E+06 ppm1 6.108 ppm2 5.103
ASSI { 361}
(( segid " A" and resid 25 and name H8 ))
(( segid " A" and resid 25 and name H3' ))
2.906 0.581 0.581 peak 361 weight 1.00000E+00 volume 1.38000E+07 ppm1 8.086 ppm2 5.097
ASSI { 362}
(( segid " A" and resid 25 and name H1' ))
(( segid " A" and resid 25 and name H8 ))
3.411 0.682 0.682 peak 362 weight 1.00000E+00 volume 5.28000E+06 ppm1 8.084 ppm2 6.108
ASSI { 363}
( segid " A" and resid 25 and name H5'*)
(( segid " A" and resid 25 and name H3' ))
3.480 0.696 0.696 peak 363 weight 1.00000E+00 volume 4.68000E+06 ppm1 5.103 ppm2 4.246
ASSI { 364}
(( segid " A" and resid 25 and name H2' ))
(( segid " A" and resid 25 and name H3' ))
3.589 0.718 0.718 peak 364 weight 1.00000E+00 volume 3.89000E+06 ppm1 5.104 ppm2 3.001
ASSI { 365}
(( segid " A" and resid 25 and name H2''))
(( segid " A" and resid 25 and name H3' ))
3.457 0.691 0.691 peak 365 weight 1.00000E+00 volume 4.87000E+06 ppm1 5.106 ppm2 2.724
ASSI { 366}
(( segid " A" and resid 25 and name H2' ))
( segid " A" and resid 25 and name H5'*)
4.342 0.868 0.868 peak 366 weight 1.00000E+00 volume 1.24000E+06 ppm1 4.244 ppm2 2.999
ASSI { 367}
(( segid " A" and resid 25 and name H2''))
( segid " A" and resid 25 and name H5'*)
3.550 0.710 0.710 peak 367 weight 1.00000E+00 volume 4.15000E+06 ppm1 4.244 ppm2 2.716
ASSI { 368}
(( segid " A" and resid 25 and name H2''))
(( segid " A" and resid 25 and name H2' ))
2.526 0.505 0.505 peak 368 weight 1.00000E+00 volume 3.20000E+07 ppm1 3.002 ppm2 2.720
ASSI { 369}
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(( segid " A" and resid 13 and name H1' ))
3.184 0.637 0.637 peak 369 weight 1.00000E+00 volume 7.98000E+06 ppm1 7.587 ppm2 6.193
ASSI { 370}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H3' ))
3.490 0.698 0.698 peak 370 weight 1.00000E+00 volume 4.60000E+06 ppm1 7.583 ppm2 4.843
ASSI { 371}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H4' ))
4.443 0.889 0.889 peak 371 weight 1.00000E+00 volume 1.08000E+06 ppm1 7.585 ppm2 4.116
ASSI { 372}
(( segid " A" and resid 13 and name H1' ))
(( segid " A" and resid 13 and name H4' ))
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ASSI { 373}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H5' ))
3.442 0.688 0.688 peak 373 weight 1.00000E+00 volume 5.00000E+06 ppm1 7.582 ppm2 3.638
ASSI { 374}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H5''))
3.442 0.688 0.688 peak 374 weight 1.00000E+00 volume 5.00000E+06 ppm1 7.582 ppm2 3.729
ASSI { 375}
(( segid " A" and resid 13 and name H1' ))
(( segid " A" and resid 13 and name H5''))
4.464 0.893 0.893 peak 375 weight 1.00000E+00 volume 1.05000E+06 ppm1 6.197 ppm2 3.729
ASSI { 376}
(( segid " A" and resid 13 and name H1' ))
(( segid " A" and resid 13 and name H5' ))
4.450 0.890 0.890 peak 376 weight 1.00000E+00 volume 1.07000E+06 ppm1 6.198 ppm2 3.643
ASSI { 377}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H2''))
3.339 0.668 0.668 peak 377 weight 1.00000E+00 volume 6.00000E+06 ppm1 7.581 ppm2 2.519
ASSI { 378}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H2' ))
2.863 0.573 0.573 peak 378 weight 1.00000E+00 volume 1.51000E+07 ppm1 7.583 ppm2 2.671
ASSI { 379}
(( segid " A" and resid 13 and name H1' ))
(( segid " A" and resid 13 and name H2''))
2.815 0.563 0.563 peak 379 weight 1.00000E+00 volume 1.67000E+07 ppm1 6.200 ppm2 2.514
ASSI { 380}
(( segid " A" and resid 13 and name H1' ))
(( segid " A" and resid 13 and name H2' ))
2.663 0.533 0.533 peak 380 weight 1.00000E+00 volume 2.33000E+07 ppm1 6.200 ppm2 2.670
ASSI { 381}
(( segid " A" and resid 13 and name H4' ))
(( segid " A" and resid 13 and name H5' ))
3.996 0.799 0.799 peak 381 weight 1.00000E+00 volume 2.04000E+06 ppm1 4.113 ppm2 3.643
ASSI { 382}
(( segid " A" and resid 13 and name H4' ))
(( segid " A" and resid 13 and name H5''))
4.006 0.801 0.801 peak 382 weight 1.00000E+00 volume 2.01000E+06 ppm1 4.114 ppm2 3.726
ASSI { 383}
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(( segid " A" and resid 12 and name H1' ))
3.394 0.679 0.679 peak 383 weight 1.00000E+00 volume 5.44000E+06 ppm1 7.647 ppm2 6.086
ASSI { 384}
(( segid " A" and resid 12 and name H8 ))
(( segid " A" and resid 12 and name H3' ))
2.983 0.597 0.597 peak 384 weight 1.00000E+00 volume 1.18000E+07 ppm1 7.647 ppm2 4.979
ASSI { 385}
(( segid " A" and resid 12 and name H1' ))
(( segid " A" and resid 12 and name H3' ))
3.068 0.614 0.614 peak 385 weight 1.00000E+00 volume 9.96000E+06 ppm1 6.085 ppm2 4.978
ASSI { 386}
(( segid " A" and resid 12 and name H8 ))
(( segid " A" and resid 12 and name H4' ))
3.476 0.695 0.695 peak 386 weight 1.00000E+00 volume 4.71000E+06 ppm1 7.646 ppm2 4.522
ASSI { 387}
(( segid " A" and resid 12 and name H1' ))
(( segid " A" and resid 12 and name H4' ))
4.030 0.806 0.806 peak 387 weight 1.00000E+00 volume 1.94000E+06 ppm1 6.087 ppm2 4.523
ASSI { 388}
(( segid " A" and resid 12 and name H8 ))
( segid " A" and resid 12 and name H5'*)
3.442 0.688 0.688 peak 388 weight 1.00000E+00 volume 5.00000E+06 ppm1 7.646 ppm2 4.369
ASSI { 389}
(( segid " A" and resid 12 and name H1' ))
( segid " A" and resid 12 and name H5'*)
3.968 0.794 0.794 peak 389 weight 1.00000E+00 volume 2.13000E+06 ppm1 6.085 ppm2 4.362
ASSI { 390}
(( segid " A" and resid 12 and name H8 ))
(( segid " A" and resid 12 and name H2''))
2.583 0.517 0.517 peak 390 weight 1.00000E+00 volume 2.80000E+07 ppm1 7.646 ppm2 2.557
ASSI { 391}
(( segid " A" and resid 12 and name H8 ))
(( segid " A" and resid 12 and name H2' ))
2.950 0.590 0.590 peak 391 weight 1.00000E+00 volume 1.26000E+07 ppm1 7.647 ppm2 2.769
ASSI { 392}
(( segid " A" and resid 12 and name H1' ))
(( segid " A" and resid 12 and name H2' ))
2.882 0.576 0.576 peak 392 weight 1.00000E+00 volume 1.45000E+07 ppm1 6.085 ppm2 2.772
ASSI { 393}
(( segid " A" and resid 12 and name H1' ))
(( segid " A" and resid 12 and name H2''))
2.996 0.599 0.599 peak 393 weight 1.00000E+00 volume 1.15000E+07 ppm1 6.086 ppm2 2.550
ASSI { 394}
(( segid " A" and resid 13 and name H5''))
(( segid " A" and resid 12 and name H2' ))
3.009 0.602 0.602 peak 394 weight 1.00000E+00 volume 1.12000E+07 ppm1 3.728 ppm2 2.767
ASSI { 395}
(( segid " A" and resid 13 and name H5' ))
(( segid " A" and resid 12 and name H2' ))
2.661 0.532 0.532 peak 395 weight 1.00000E+00 volume 2.34000E+07 ppm1 3.642 ppm2 2.767
ASSI { 396}
(( segid " A" and resid 8 and name H1' ))
( segid " A" and resid 8 and name H5# )
4.538 0.908 0.908 peak 396 weight 1.00000E+00 volume 9.51000E+05 ppm1 6.461 ppm2 2.063
ASSI { 397}
(( segid " A" and resid 8 and name H1' ))
(( segid " A" and resid 8 and name H2' ))
2.838 0.568 0.568 peak 397 weight 1.00000E+00 volume 1.59000E+07 ppm1 6.461 ppm2 2.691
ASSI { 398}
(( segid " A" and resid 8 and name H2' ))
(( segid " A" and resid 8 and name H6 ))
3.121 0.624 0.624 peak 398 weight 1.00000E+00 volume 9.00000E+06 ppm1 7.885 ppm2 2.690
ASSI { 399}
(( segid " A" and resid 8 and name H1' ))
(( segid " A" and resid 8 and name H6 ))
3.066 0.613 0.613 peak 399 weight 1.00000E+00 volume 1.00000E+07 ppm1 7.886 ppm2 6.462
ASSI { 400}
(( segid " A" and resid 8 and name H3' ))
(( segid " A" and resid 8 and name H6 ))
2.954 0.591 0.591 peak 400 weight 1.00000E+00 volume 1.25000E+07 ppm1 7.887 ppm2 4.950
ASSI { 401}
(( segid " A" and resid 8 and name H6 ))
( segid " A" and resid 8 and name H5'*)
3.748 0.750 0.750 peak 401 weight 1.00000E+00 volume 3.00000E+06 ppm1 7.881 ppm2 4.278
ASSI { 402}
(( segid " A" and resid 8 and name H1' ))
(( segid " A" and resid 8 and name H4' ))
3.525 0.705 0.705 peak 402 weight 1.00000E+00 volume 4.33000E+06 ppm1 6.461 ppm2 4.522
ASSI { 403}
(( segid " A" and resid 8 and name H1' ))
( segid " A" and resid 8 and name H5'*)
4.193 0.839 0.839 peak 403 weight 1.00000E+00 volume 1.53000E+06 ppm1 6.461 ppm2 4.273
ASSI { 404}
(( segid " A" and resid 8 and name H2' ))
( segid " A" and resid 8 and name H5'*)
3.254 0.651 0.651 peak 404 weight 1.00000E+00 volume 7.00000E+06 ppm1 4.269 ppm2 2.692
ASSI { 405}
(( segid " A" and resid 8 and name H2''))
( segid " A" and resid 8 and name H5'*)
3.572 0.714 0.714 peak 405 weight 1.00000E+00 volume 4.00000E+06 ppm1 4.270 ppm2 2.499
ASSI { 406}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 32 and name H8 ))
3.259 0.652 0.652 peak 406 weight 1.00000E+00 volume 6.94000E+06 ppm1 7.761 ppm2 6.093
ASSI { 407}
(( segid " A" and resid 7 and name H3' ))
(( segid " A" and resid 32 and name H8 ))
4.037 0.807 0.807 peak 407 weight 1.00000E+00 volume 1.92000E+06 ppm1 7.761 ppm2 5.268
ASSI { 408}
(( segid " A" and resid 7 and name H3' ))
(( segid " A" and resid 32 and name H1' ))
5.188 1.038 1.038 peak 408 weight 1.00000E+00 volume 4.26000E+05 ppm1 6.412 ppm2 5.267
ASSI { 409}
(( segid " A" and resid 32 and name H1' ))
(( segid " A" and resid 32 and name H3' ))
4.336 0.867 0.867 peak 409 weight 1.00000E+00 volume 1.25000E+06 ppm1 6.411 ppm2 4.883
ASSI { 410}
(( segid " A" and resid 32 and name H1' ))
(( segid " A" and resid 31 and name H4' ))
6.512 1.302 1.302 peak 410 weight 1.00000E+00 volume 1.09000E+05 ppm1 6.411 ppm2 4.139
ASSI { 411}
(( segid " A" and resid 7 and name H2' ))
(( segid " A" and resid 32 and name H8 ))
3.125 0.625 0.625 peak 411 weight 1.00000E+00 volume 8.93000E+06 ppm1 7.761 ppm2 2.923
ASSI { 412}
(( segid " A" and resid 7 and name H2''))
(( segid " A" and resid 32 and name H8 ))
2.755 0.551 0.551 peak 412 weight 1.00000E+00 volume 1.90000E+07 ppm1 7.761 ppm2 2.641
ASSI { 413}
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(( segid " A" and resid 32 and name H8 ))
3.254 0.651 0.651 peak 413 weight 1.00000E+00 volume 7.00000E+06 ppm1 7.761 ppm2 2.750
ASSI { 414}
(( segid " A" and resid 32 and name H2''))
(( segid " A" and resid 32 and name H1' ))
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ASSI { 415}
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ASSI { 416}
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(( segid " A" and resid 32 and name H1' ))
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ASSI { 417}
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( segid " A" and resid 8 and name H5# )
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ASSI { 418}
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(( segid " A" and resid 32 and name H8 ))
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ASSI { 419}
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( segid " A" and resid 7 and name H5'*)
3.748 0.750 0.750 peak 419 weight 1.00000E+00 volume 3.00000E+06 ppm1 5.267 ppm2 4.311
ASSI { 420}
(( segid " A" and resid 32 and name H2' ))
(( segid " A" and resid 32 and name H2''))
2.625 0.525 0.525 peak 420 weight 1.00000E+00 volume 2.54000E+07 ppm1 3.470 ppm2 2.752
ASSI { 421}
(( segid " A" and resid 32 and name H2' ))
(( segid " A" and resid 32 and name H4' ))
4.501 0.900 0.900 peak 421 weight 1.00000E+00 volume 1.00000E+06 ppm1 4.214 ppm2 3.471
ASSI { 422}
(( segid " A" and resid 32 and name H2' ))
(( segid " A" and resid 32 and name H5''))
4.423 0.885 0.885 peak 422 weight 1.00000E+00 volume 1.11000E+06 ppm1 4.271 ppm2 3.472
ASSI { 423}
(( segid " A" and resid 32 and name H2''))
(( segid " A" and resid 32 and name H4' ))
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ASSI { 424}
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ASSI { 425}
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(( segid " A" and resid 29 and name H3' ))
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ASSI { 426}
(( segid " A" and resid 29 and name H2' ))
(( segid " A" and resid 29 and name H3' ))
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ASSI { 427}
(( segid " A" and resid 29 and name H2' ))
(( segid " A" and resid 28 and name H2' ))
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ASSI { 428}
(( segid " A" and resid 29 and name H2''))
(( segid " A" and resid 28 and name H2' ))
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ASSI { 429}
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(( segid " A" and resid 12 and name H1 ))
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ASSI { 430}
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(( segid " A" and resid 1 and name H1' ))
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ASSI { 431}
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(( segid " A" and resid 1 and name H1' ))
3.812 0.762 0.762 peak 431 weight 1.00000E+00 volume 2.71000E+06 ppm1 8.124 ppm2 5.870
ASSI { 432}
(( segid " A" and resid 1 and name H1' ))
(( segid " A" and resid 1 and name H2''))
2.946 0.589 0.589 peak 432 weight 1.00000E+00 volume 1.27000E+07 ppm1 5.866 ppm2 2.473
ASSI { 433}
(( segid " A" and resid 1 and name H1' ))
(( segid " A" and resid 1 and name H2' ))
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ASSI { 434}
(( segid " A" and resid 1 and name H8 ))
(( segid " A" and resid 1 and name H2''))
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ASSI { 435}
(( segid " A" and resid 1 and name H8 ))
(( segid " A" and resid 1 and name H2' ))
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ASSI { 436}
(( segid " A" and resid 1 and name H8 ))
( segid " A" and resid 1 and name H5'*)
3.845 0.769 0.769 peak 436 weight 1.00000E+00 volume 2.57000E+06 ppm1 7.943 ppm2 3.669
ASSI { 437}
(( segid " A" and resid 2 and name H8 ))
( segid " A" and resid 1 and name H5'*)
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ASSI { 438}
(( segid " A" and resid 1 and name H1' ))
( segid " A" and resid 1 and name H5'*)
4.378 0.876 0.876 peak 438 weight 1.00000E+00 volume 1.18000E+06 ppm1 5.868 ppm2 3.670
ASSI { 439}
(( segid " A" and resid 1 and name H1' ))
(( segid " A" and resid 1 and name H4' ))
3.095 0.619 0.619 peak 439 weight 1.00000E+00 volume 9.45000E+06 ppm1 5.868 ppm2 4.166
ASSI { 440}
( segid " A" and resid 1 and name H5'*)
(( segid " A" and resid 1 and name H4' ))
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ASSI { 441}
(( segid " A" and resid 1 and name H2''))
(( segid " A" and resid 1 and name H4' ))
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ASSI { 442}
(( segid " A" and resid 1 and name H2' ))
(( segid " A" and resid 1 and name H4' ))
4.378 0.876 0.876 peak 442 weight 1.00000E+00 volume 1.18000E+06 ppm1 4.157 ppm2 2.670
ASSI { 443}
(( segid " A" and resid 1 and name H8 ))
(( segid " A" and resid 1 and name H3' ))
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ASSI { 444}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 1 and name H3' ))
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ASSI { 445}
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( segid " A" and resid 32 and name H2# )
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ASSI { 446}
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(( segid " A" and resid 14 and name H1' ))
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ASSI { 447}
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(( segid " A" and resid 29 and name H8 ))
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ASSI { 448}
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(( segid " A" and resid 10 and name H1' ))
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ASSI { 449}
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(( segid " A" and resid 14 and name H3' ))
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ASSI { 450}
(( segid " A" and resid 13 and name H3' ))
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ASSI { 451}
(( segid " A" and resid 14 and name H8 ))
(( segid " A" and resid 14 and name H4' ))
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ASSI { 452}
(( segid " A" and resid 14 and name H8 ))
( segid " A" and resid 14 and name H5'*)
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ASSI { 453}
(( segid " A" and resid 13 and name H5''))
(( segid " A" and resid 14 and name H8 ))
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ASSI { 454}
(( segid " A" and resid 13 and name H5' ))
(( segid " A" and resid 14 and name H8 ))
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ASSI { 455}
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(( segid " A" and resid 14 and name H2''))
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ASSI { 456}
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ASSI { 457}
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(( segid " A" and resid 14 and name H3' ))
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ASSI { 458}
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ASSI { 459}
(( segid " A" and resid 14 and name H1' ))
( segid " A" and resid 14 and name H5'*)
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ASSI { 460}
(( segid " A" and resid 13 and name H5' ))
(( segid " A" and resid 14 and name H1' ))
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ASSI { 461}
(( segid " A" and resid 13 and name H5''))
(( segid " A" and resid 14 and name H1' ))
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ASSI { 462}
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(( segid " A" and resid 14 and name H2''))
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ASSI { 463}
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(( segid " A" and resid 14 and name H2' ))
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ASSI { 464}
( segid " A" and resid 14 and name H5'*)
(( segid " A" and resid 14 and name H2' ))
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ASSI { 465}
( segid " A" and resid 14 and name H5'*)
(( segid " A" and resid 14 and name H2''))
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ASSI { 466}
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(( segid " A" and resid 3 and name H8 ))
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ASSI { 467}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H3' ))
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ASSI { 468}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H4' ))
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ASSI { 469}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H5''))
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ASSI { 470}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H5' ))
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ASSI { 471}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H2' ))
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ASSI { 472}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H2''))
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ASSI { 473}
(( segid " A" and resid 3 and name H5' ))
(( segid " A" and resid 3 and name H3' ))
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ASSI { 474}
(( segid " A" and resid 3 and name H5''))
(( segid " A" and resid 3 and name H3' ))
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ASSI { 475}
(( segid " A" and resid 3 and name H2' ))
(( segid " A" and resid 3 and name H3' ))
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ASSI { 476}
(( segid " A" and resid 3 and name H2' ))
(( segid " A" and resid 3 and name H2''))
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ASSI { 477}
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ASSI { 478}
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(( segid " A" and resid 3 and name H8 ))
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ASSI { 479}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H3' ))
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ASSI { 480}
(( segid " A" and resid 2 and name H3' ))
(( segid " A" and resid 3 and name H8 ))
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ASSI { 481}
(( segid " A" and resid 2 and name H2''))
(( segid " A" and resid 3 and name H8 ))
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ASSI { 482}
(( segid " A" and resid 2 and name H2' ))
(( segid " A" and resid 1 and name H8 ))
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ASSI { 483}
(( segid " A" and resid 2 and name H2''))
(( segid " A" and resid 1 and name H8 ))
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ASSI { 484}
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ASSI { 485}
(( segid " A" and resid 27 and name H2''))
(( segid " A" and resid 28 and name H2' ))
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ASSI { 486}
(( segid " A" and resid 26 and name H8 ))
( segid " A" and resid 26 and name H5'*)
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ASSI { 487}
(( segid " A" and resid 27 and name H8 ))
( segid " A" and resid 26 and name H5'*)
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ASSI { 488}
(( segid " A" and resid 26 and name H1' ))
( segid " A" and resid 26 and name H5'*)
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ASSI { 489}
(( segid " A" and resid 26 and name H3' ))
( segid " A" and resid 26 and name H5'*)
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ASSI { 490}
(( segid " A" and resid 26 and name H3' ))
(( segid " A" and resid 26 and name H2''))
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ASSI { 491}
(( segid " A" and resid 26 and name H3' ))
(( segid " A" and resid 26 and name H2' ))
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ASSI { 492}
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(( segid " A" and resid 31 and name H1' ))
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ASSI { 493}
(( segid " A" and resid 1 and name H2' ))
( segid " A" and resid 1 and name H5'*)
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ASSI { 494}
(( segid " A" and resid 1 and name H2''))
( segid " A" and resid 1 and name H5'*)
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ASSI { 495}
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(( segid " A" and resid 3 and name H2' ))
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ASSI { 496}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 3 and name H2''))
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ASSI { 497}
(( segid " A" and resid 31 and name H2''))
(( segid " A" and resid 32 and name H1 ))
5.725 1.145 1.145 peak 497 weight 1.00000E+00 volume 2.36000E+05 ppm1 11.482 ppm2 1.648
ASSI { 498}
(( segid " A" and resid 32 and name H2' ))
(( segid " A" and resid 32 and name H1 ))
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ASSI { 499}
(( segid " A" and resid 4 and name H1 ))
(( segid " A" and resid 30 and name H2''))
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ASSI { 500}
(( segid " A" and resid 30 and name H2''))
(( segid " A" and resid 30 and name H5''))
3.900 0.780 0.780 peak 500 weight 1.00000E+00 volume 2.36000E+06 ppm1 3.907 ppm2 2.494
ASSI { 501}
(( segid " A" and resid 30 and name H2''))
(( segid " A" and resid 30 and name H4' ))
4.144 0.829 0.829 peak 501 weight 1.00000E+00 volume 1.64000E+06 ppm1 4.076 ppm2 2.487
ASSI { 502}
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(( segid " A" and resid 3 and name H2''))
5.052 1.010 1.010 peak 502 weight 1.00000E+00 volume 5.00000E+05 ppm1 10.849 ppm2 2.583
ASSI { 503}
(( segid " A" and resid 27 and name H1 ))
(( segid " A" and resid 3 and name H2' ))
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ASSI { 504}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 6 and name H2''))
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ASSI { 505}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 3 and name H2' ))
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ASSI { 506}
(( segid " A" and resid 31 and name H5''))
(( segid " A" and resid 32 and name H1 ))
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ASSI { 507}
(( segid " A" and resid 31 and name H4' ))
(( segid " A" and resid 32 and name H1 ))
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ASSI { 508}
(( segid " A" and resid 30 and name H3' ))
(( segid " A" and resid 32 and name H1 ))
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ASSI { 509}
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(( segid " A" and resid 26 and name H4' ))
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ASSI { 510}
(( segid " A" and resid 25 and name H1 ))
(( segid " A" and resid 1 and name H3' ))
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ASSI { 511}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 26 and name H3' ))
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ASSI { 512}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 11 and name H3' ))
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ASSI { 513}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 26 and name H1' ))
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ASSI { 514}
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(( segid " A" and resid 10 and name H1' ))
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ASSI { 515}
(( segid " A" and resid 27 and name H1 ))
(( segid " A" and resid 27 and name H1' ))
5.000 1.000 1.000 peak 515 weight 1.00000E+00 volume 5.32000E+05 ppm1 10.850 ppm2 6.012
ASSI { 516}
(( segid " A" and resid 27 and name H1 ))
(( segid " A" and resid 3 and name H1' ))
4.501 0.900 0.900 peak 516 weight 1.00000E+00 volume 1.00000E+06 ppm1 10.851 ppm2 6.182
ASSI { 517}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 12 and name H1' ))
4.660 0.932 0.932 peak 517 weight 1.00000E+00 volume 8.12000E+05 ppm1 11.396 ppm2 6.103
ASSI { 518}
(( segid " A" and resid 4 and name H1 ))
(( segid " A" and resid 7 and name H1' ))
4.207 0.841 0.841 peak 518 weight 1.00000E+00 volume 1.50000E+06 ppm1 10.890 ppm2 6.092
ASSI { 519}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 13 and name H1' ))
5.243 1.049 1.049 peak 519 weight 1.00000E+00 volume 4.00000E+05 ppm1 11.396 ppm2 6.202
ASSI { 520}
(( segid " A" and resid 6 and name H1 ))
(( segid " A" and resid 6 and name H1' ))
4.010 0.802 0.802 peak 520 weight 1.00000E+00 volume 2.00000E+06 ppm1 11.898 ppm2 6.211
ASSI { 521}
(( segid " A" and resid 26 and name H1 ))
(( segid " A" and resid 2 and name H1' ))
4.010 0.802 0.802 peak 521 weight 1.00000E+00 volume 2.00000E+06 ppm1 11.557 ppm2 6.233
ASSI { 522}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 32 and name H1' ))
3.914 0.783 0.783 peak 522 weight 1.00000E+00 volume 2.31000E+06 ppm1 7.988 ppm2 6.404
ASSI { 523}
(( segid " A" and resid 4 and name H1' ))
(( segid " A" and resid 7 and name H8 ))
4.342 0.868 0.868 peak 523 weight 1.00000E+00 volume 1.24000E+06 ppm1 7.988 ppm2 6.498
ASSI { 524}
(( segid " A" and resid 4 and name H1 ))
(( segid " A" and resid 32 and name H1' ))
5.052 1.010 1.010 peak 524 weight 1.00000E+00 volume 5.00000E+05 ppm1 10.889 ppm2 6.411
ASSI { 525}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 32 and name H1' ))
4.010 0.802 0.802 peak 525 weight 1.00000E+00 volume 2.00000E+06 ppm1 11.559 ppm2 6.406
ASSI { 526}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 4 and name H1' ))
3.223 0.645 0.645 peak 526 weight 1.00000E+00 volume 7.41000E+06 ppm1 11.241 ppm2 6.498
ASSI { 527}
(( segid " A" and resid 4 and name H1 ))
(( segid " A" and resid 4 and name H1' ))
4.010 0.802 0.802 peak 527 weight 1.00000E+00 volume 2.00000E+06 ppm1 10.889 ppm2 6.503
ASSI { 528}
(( segid " A" and resid 3 and name H1 ))
( segid " A" and resid 3 and name H2# )
3.182 0.636 0.636 peak 528 weight 1.00000E+00 volume 8.00000E+06 ppm1 11.241 ppm2 8.739
ASSI { 529}
(( segid " A" and resid 6 and name H1 ))
(( segid " A" and resid 11 and name H8 ))
4.704 0.941 0.941 peak 529 weight 1.00000E+00 volume 7.67000E+05 ppm1 11.898 ppm2 8.098
ASSI { 530}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 25 and name H8 ))
4.104 0.821 0.821 peak 530 weight 1.00000E+00 volume 1.74000E+06 ppm1 11.774 ppm2 8.084
ASSI { 531}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 6 and name H8 ))
4.081 0.816 0.816 peak 531 weight 1.00000E+00 volume 1.80000E+06 ppm1 11.737 ppm2 8.084
ASSI { 532}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 1 and name H2 ))
4.112 0.822 0.822 peak 532 weight 1.00000E+00 volume 1.72000E+06 ppm1 11.737 ppm2 7.972
ASSI { 533}
(( segid " A" and resid 6 and name H1 ))
(( segid " A" and resid 10 and name H6 ))
5.220 1.044 1.044 peak 533 weight 1.00000E+00 volume 4.11000E+05 ppm1 11.897 ppm2 7.520
ASSI { 534}
(( segid " A" and resid 32 and name H1 ))
( segid " A" and resid 32 and name H2# )
2.650 0.530 0.530 peak 534 weight 1.00000E+00 volume 2.40000E+07 ppm1 11.482 ppm2 7.391
ASSI { 535}
(( segid " A" and resid 32 and name H1 ))
(( segid " A" and resid 13 and name H8 ))
3.339 0.668 0.668 peak 535 weight 1.00000E+00 volume 6.00000E+06 ppm1 11.482 ppm2 7.579
ASSI { 536}
(( segid " A" and resid 26 and name H1 ))
(( segid " A" and resid 3 and name H8 ))
3.291 0.658 0.658 peak 536 weight 1.00000E+00 volume 6.54000E+06 ppm1 11.557 ppm2 7.519
ASSI { 537}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 26 and name H8 ))
3.180 0.636 0.636 peak 537 weight 1.00000E+00 volume 8.03000E+06 ppm1 11.223 ppm2 7.844
ASSI { 538}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 26 and name H8 ))
4.140 0.828 0.828 peak 538 weight 1.00000E+00 volume 1.65000E+06 ppm1 11.393 ppm2 7.848
ASSI { 539}
(( segid " A" and resid 25 and name H1 ))
(( segid " A" and resid 1 and name H8 ))
3.962 0.792 0.792 peak 539 weight 1.00000E+00 volume 2.15000E+06 ppm1 11.401 ppm2 7.946
ASSI { 540}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 7 and name H8 ))
3.572 0.714 0.714 peak 540 weight 1.00000E+00 volume 4.00000E+06 ppm1 11.239 ppm2 7.988
ASSI { 541}
(( segid " A" and resid 4 and name H1 ))
(( segid " A" and resid 7 and name H8 ))
4.486 0.897 0.897 peak 541 weight 1.00000E+00 volume 1.02000E+06 ppm1 10.889 ppm2 7.988
ASSI { 542}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 6 and name H8 ))
4.003 0.801 0.801 peak 542 weight 1.00000E+00 volume 2.02000E+06 ppm1 11.238 ppm2 8.084
ASSI { 543}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 32 and name H1 ))
4.901 0.980 0.980 peak 543 weight 1.00000E+00 volume 6.00000E+05 ppm1 11.480 ppm2 11.400
ASSI { 544}
(( segid " A" and resid 6 and name H1 ))
(( segid " A" and resid 7 and name H8 ))
5.591 1.118 1.118 peak 544 weight 1.00000E+00 volume 2.72000E+05 ppm1 11.899 ppm2 7.986
ASSI { 545}
(( segid " A" and resid 4 and name H1 ))
(( segid " A" and resid 32 and name H8 ))
4.378 0.876 0.876 peak 545 weight 1.00000E+00 volume 1.18000E+06 ppm1 10.889 ppm2 7.761
ASSI { 546}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 12 and name H8 ))
4.010 0.802 0.802 peak 546 weight 1.00000E+00 volume 2.00000E+06 ppm1 11.774 ppm2 7.652
ASSI { 547}
(( segid " A" and resid 27 and name H1 ))
(( segid " A" and resid 4 and name H8 ))
4.211 0.842 0.842 peak 547 weight 1.00000E+00 volume 1.49000E+06 ppm1 10.850 ppm2 7.645
ASSI { 548}
(( segid " A" and resid 27 and name H1 ))
(( segid " A" and resid 3 and name H8 ))
4.010 0.802 0.802 peak 548 weight 1.00000E+00 volume 2.00000E+06 ppm1 10.850 ppm2 7.503
ASSI { 549}
(( segid " A" and resid 4 and name H1 ))
(( segid " A" and resid 30 and name H8 ))
4.069 0.814 0.814 peak 549 weight 1.00000E+00 volume 1.83000E+06 ppm1 10.889 ppm2 7.485
ASSI { 550}
(( segid " A" and resid 28 and name H1 ))
(( segid " A" and resid 30 and name H8 ))
4.157 0.831 0.831 peak 550 weight 1.00000E+00 volume 1.61000E+06 ppm1 10.997 ppm2 7.483
ASSI { 551}
(( segid " A" and resid 28 and name H1 ))
(( segid " A" and resid 27 and name H8 ))
5.885 1.177 1.177 peak 551 weight 1.00000E+00 volume 2.00000E+05 ppm1 10.999 ppm2 7.289
ASSI { 552}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 27 and name H8 ))
3.572 0.714 0.714 peak 552 weight 1.00000E+00 volume 4.00000E+06 ppm1 11.223 ppm2 7.291
ASSI { 553}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 32 and name H1 ))
3.624 0.725 0.725 peak 553 weight 1.00000E+00 volume 3.67000E+06 ppm1 11.482 ppm2 7.195
ASSI { 554}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 31 and name H8 ))
3.123 0.625 0.625 peak 554 weight 1.00000E+00 volume 8.95000E+06 ppm1 11.223 ppm2 7.196
ASSI { 555}
(( segid " A" and resid 28 and name H1 ))
(( segid " A" and resid 31 and name H8 ))
4.841 0.968 0.968 peak 555 weight 1.00000E+00 volume 6.46000E+05 ppm1 10.999 ppm2 7.197
ASSI { 556}
(( segid " A" and resid 4 and name H1 ))
(( segid " A" and resid 31 and name H8 ))
4.319 0.864 0.864 peak 556 weight 1.00000E+00 volume 1.28000E+06 ppm1 10.889 ppm2 7.194
ASSI { 557}
(( segid " A" and resid 4 and name H1 ))
( segid " A" and resid 28 and name H2# )
5.612 1.122 1.122 peak 557 weight 1.00000E+00 volume 2.66000E+05 ppm1 10.889 ppm2 8.611
ASSI { 558}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 13 and name H8 ))
4.010 0.802 0.802 peak 558 weight 1.00000E+00 volume 2.00000E+06 ppm1 11.394 ppm2 7.583
ASSI { 559}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 25 and name H2''))
4.010 0.802 0.802 peak 559 weight 1.00000E+00 volume 2.00000E+06 ppm1 11.394 ppm2 2.716
ASSI { 560}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 25 and name H2' ))
4.944 0.989 0.989 peak 560 weight 1.00000E+00 volume 5.69000E+05 ppm1 11.393 ppm2 3.000
ASSI { 561}
(( segid " A" and resid 6 and name H1 ))
(( segid " A" and resid 11 and name H1 ))
4.069 0.814 0.814 peak 561 weight 1.00000E+00 volume 1.83000E+06 ppm1 11.898 ppm2 11.789
ASSI { 562}
(( segid " A" and resid 25 and name H1 ))
(( segid " A" and resid 2 and name H8 ))
4.116 0.823 0.823 peak 562 weight 1.00000E+00 volume 1.71000E+06 ppm1 11.400 ppm2 8.116
ASSI { 563}
(( segid " A" and resid 26 and name H1 ))
(( segid " A" and resid 2 and name H8 ))
3.890 0.778 0.778 peak 563 weight 1.00000E+00 volume 2.40000E+06 ppm1 11.554 ppm2 8.122
ASSI { 564}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 11 and name H8 ))
3.890 0.778 0.778 peak 564 weight 1.00000E+00 volume 2.40000E+06 ppm1 11.561 ppm2 8.104
ASSI { 565}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 3 and name H1' ))
5.243 1.049 1.049 peak 565 weight 1.00000E+00 volume 4.00000E+05 ppm1 11.737 ppm2 6.182
ASSI { 566}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 6 and name H1' ))
5.885 1.177 1.177 peak 566 weight 1.00000E+00 volume 2.00000E+05 ppm1 11.738 ppm2 6.216
ASSI { 567}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 32 and name H1 ))
5.602 1.120 1.120 peak 567 weight 1.00000E+00 volume 2.69000E+05 ppm1 11.482 ppm2 6.091
ASSI { 568}
(( segid " A" and resid 25 and name H1 ))
(( segid " A" and resid 1 and name H1' ))
4.162 0.832 0.832 peak 568 weight 1.00000E+00 volume 1.60000E+06 ppm1 11.400 ppm2 5.869
ASSI { 569}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 26 and name H3' ))
5.006 1.001 1.001 peak 569 weight 1.00000E+00 volume 5.28000E+05 ppm1 11.395 ppm2 5.100
ASSI { 570}
(( segid " A" and resid 32 and name H3' ))
(( segid " A" and resid 32 and name H1 ))
5.564 1.113 1.113 peak 570 weight 1.00000E+00 volume 2.80000E+05 ppm1 11.482 ppm2 4.880
ASSI { 571}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 32 and name H3' ))
5.655 1.131 1.131 peak 571 weight 1.00000E+00 volume 2.54000E+05 ppm1 11.561 ppm2 4.882
ASSI { 572}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 26 and name H4' ))
6.606 1.321 1.321 peak 572 weight 1.00000E+00 volume 1.00000E+05 ppm1 11.398 ppm2 4.524
ASSI { 573}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 12 and name H4' ))
5.448 1.090 1.090 peak 573 weight 1.00000E+00 volume 3.18000E+05 ppm1 11.775 ppm2 4.524
ASSI { 574}
(( segid " A" and resid 32 and name H4' ))
(( segid " A" and resid 32 and name H1 ))
6.238 1.248 1.248 peak 574 weight 1.00000E+00 volume 1.41000E+05 ppm1 11.483 ppm2 4.216
ASSI { 575}
(( segid " A" and resid 25 and name H1 ))
( segid " A" and resid 1 and name H5'*)
5.510 1.102 1.102 peak 575 weight 1.00000E+00 volume 2.97000E+05 ppm1 11.401 ppm2 3.669
ASSI { 576}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 13 and name H5''))
5.885 1.177 1.177 peak 576 weight 1.00000E+00 volume 2.00000E+05 ppm1 11.393 ppm2 3.723
ASSI { 577}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 9 and name H2' ))
6.606 1.321 1.321 peak 577 weight 1.00000E+00 volume 1.00000E+05 ppm1 11.558 ppm2 2.657
ASSI { 578}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 9 and name H2''))
6.606 1.321 1.321 peak 578 weight 1.00000E+00 volume 1.00000E+05 ppm1 11.558 ppm2 2.595
ASSI { 579}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 11 and name H2' ))
4.901 0.980 0.980 peak 579 weight 1.00000E+00 volume 6.00000E+05 ppm1 11.562 ppm2 3.118
ASSI { 580}
(( segid " A" and resid 25 and name H1 ))
(( segid " A" and resid 1 and name H2''))
5.000 1.000 1.000 peak 580 weight 1.00000E+00 volume 5.32000E+05 ppm1 11.403 ppm2 2.473
ASSI { 581}
(( segid " A" and resid 25 and name H1 ))
(( segid " A" and resid 1 and name H2' ))
3.807 0.761 0.761 peak 581 weight 1.00000E+00 volume 2.73000E+06 ppm1 11.401 ppm2 2.671
ASSI { 582}
(( segid " A" and resid 25 and name H1 ))
(( segid " A" and resid 2 and name H2''))
5.591 1.118 1.118 peak 582 weight 1.00000E+00 volume 2.72000E+05 ppm1 11.401 ppm2 2.864
ASSI { 583}
(( segid " A" and resid 13 and name H8 ))
( segid " A" and resid 32 and name H2# )
3.306 0.661 0.661 peak 583 weight 1.00000E+00 volume 6.36000E+06 ppm1 7.581 ppm2 7.393
ASSI { 584}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 32 and name H8 ))
4.493 0.899 0.899 peak 584 weight 1.00000E+00 volume 1.01000E+06 ppm1 7.989 ppm2 7.758
ASSI { 585}
(( segid " A" and resid 30 and name H1' ))
(( segid " A" and resid 30 and name H5' ))
4.665 0.933 0.933 peak 585 weight 1.00000E+00 volume 8.06000E+05 ppm1 5.805 ppm2 3.102
ASSI { 586}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 12 and name H2' ))
2.832 0.566 0.566 peak 586 weight 1.00000E+00 volume 1.61000E+07 ppm1 7.581 ppm2 2.769
ASSI { 587}
(( segid " A" and resid 30 and name H5' ))
(( segid " A" and resid 29 and name H2' ))
4.410 0.882 0.882 peak 587 weight 1.00000E+00 volume 1.13000E+06 ppm1 3.102 ppm2 2.148
ASSI { 588}
(( segid " A" and resid 30 and name H5' ))
(( segid " A" and resid 29 and name H2''))
5.062 1.012 1.012 peak 588 weight 1.00000E+00 volume 4.94000E+05 ppm1 3.102 ppm2 1.995
ASSI { 589}
(( segid " A" and resid 13 and name H5' ))
(( segid " A" and resid 12 and name H8 ))
3.898 0.780 0.780 peak 589 weight 1.00000E+00 volume 2.37000E+06 ppm1 7.647 ppm2 3.650
ASSI { 590}
(( segid " A" and resid 13 and name H5''))
(( segid " A" and resid 12 and name H8 ))
4.319 0.864 0.864 peak 590 weight 1.00000E+00 volume 1.28000E+06 ppm1 7.648 ppm2 3.736
ASSI { 591}
(( segid " A" and resid 13 and name H5''))
(( segid " A" and resid 12 and name H1' ))
3.748 0.750 0.750 peak 591 weight 1.00000E+00 volume 3.00000E+06 ppm1 6.086 ppm2 3.728
ASSI { 592}
(( segid " A" and resid 13 and name H5' ))
(( segid " A" and resid 12 and name H1' ))
3.032 0.606 0.606 peak 592 weight 1.00000E+00 volume 1.07000E+07 ppm1 6.086 ppm2 3.643
ASSI { 593}
(( segid " A" and resid 23 and name H8 ))
(( segid " A" and resid 23 and name H1' ))
3.194 0.639 0.639 peak 593 weight 1.00000E+00 volume 7.83000E+06 ppm1 7.729 ppm2 5.643
ASSI { 594}
(( segid " A" and resid 24 and name H8 ))
(( segid " A" and resid 24 and name H1' ))
3.415 0.683 0.683 peak 594 weight 1.00000E+00 volume 5.24000E+06 ppm1 8.203 ppm2 6.214
ASSI { 595}
(( segid " A" and resid 23 and name H1' ))
(( segid " A" and resid 24 and name H8 ))
4.517 0.903 0.903 peak 595 weight 1.00000E+00 volume 9.79000E+05 ppm1 8.203 ppm2 5.643
ASSI { 596}
(( segid " A" and resid 16 and name H8 ))
(( segid " A" and resid 16 and name H1' ))
3.412 0.682 0.682 peak 596 weight 1.00000E+00 volume 5.27000E+06 ppm1 7.790 ppm2 5.426
ASSI { 597}
(( segid " A" and resid 16 and name H1' ))
(( segid " A" and resid 16 and name H3' ))
4.430 0.886 0.886 peak 597 weight 1.00000E+00 volume 1.10000E+06 ppm1 5.426 ppm2 4.921
ASSI { 598}
(( segid " A" and resid 16 and name H8 ))
(( segid " A" and resid 16 and name H3' ))
3.446 0.689 0.689 peak 598 weight 1.00000E+00 volume 4.96000E+06 ppm1 7.792 ppm2 4.921
ASSI { 599}
(( segid " A" and resid 16 and name H1' ))
(( segid " A" and resid 16 and name H4' ))
3.856 0.771 0.771 peak 599 weight 1.00000E+00 volume 2.53000E+06 ppm1 5.426 ppm2 4.228
ASSI { 600}
(( segid " A" and resid 16 and name H1' ))
(( segid " A" and resid 16 and name H5''))
4.450 0.890 0.890 peak 600 weight 1.00000E+00 volume 1.07000E+06 ppm1 5.426 ppm2 4.095
ASSI { 601}
(( segid " A" and resid 16 and name H1' ))
(( segid " A" and resid 16 and name H5' ))
4.136 0.827 0.827 peak 601 weight 1.00000E+00 volume 1.66000E+06 ppm1 5.426 ppm2 4.046
ASSI { 602}
(( segid " A" and resid 16 and name H8 ))
(( segid " A" and resid 16 and name H4' ))
4.010 0.802 0.802 peak 602 weight 1.00000E+00 volume 2.00000E+06 ppm1 7.790 ppm2 4.235
ASSI { 603}
(( segid " A" and resid 16 and name H8 ))
(( segid " A" and resid 16 and name H5''))
4.010 0.802 0.802 peak 603 weight 1.00000E+00 volume 2.00000E+06 ppm1 7.791 ppm2 4.096
ASSI { 604}
(( segid " A" and resid 16 and name H8 ))
(( segid " A" and resid 16 and name H5' ))
4.430 0.886 0.886 peak 604 weight 1.00000E+00 volume 1.10000E+06 ppm1 7.790 ppm2 4.048
ASSI { 605}
(( segid " A" and resid 16 and name H1' ))
( segid " A" and resid 16 and name H2'*)
2.741 0.548 0.548 peak 605 weight 1.00000E+00 volume 1.96000E+07 ppm1 5.425 ppm2 2.386
ASSI { 606}
(( segid " A" and resid 16 and name H8 ))
( segid " A" and resid 16 and name H2'*)
2.410 0.482 0.482 peak 606 weight 1.00000E+00 volume 4.24000E+07 ppm1 7.790 ppm2 2.392
ASSI { 607}
(( segid " A" and resid 16 and name H4' ))
(( segid " A" and resid 16 and name H5''))
2.182 0.436 0.436 peak 607 weight 1.00000E+00 volume 7.70000E+07 ppm1 4.227 ppm2 4.099
ASSI { 608}
(( segid " A" and resid 16 and name H4' ))
(( segid " A" and resid 16 and name H5' ))
2.502 0.500 0.500 peak 608 weight 1.00000E+00 volume 3.39000E+07 ppm1 4.228 ppm2 4.049
ASSI { 609}
(( segid " A" and resid 16 and name H4' ))
( segid " A" and resid 16 and name H2'*)
3.427 0.685 0.685 peak 609 weight 1.00000E+00 volume 5.13000E+06 ppm1 4.227 ppm2 2.392
ASSI { 610}
(( segid " A" and resid 16 and name H5''))
( segid " A" and resid 16 and name H2'*)
4.069 0.814 0.814 peak 610 weight 1.00000E+00 volume 1.83000E+06 ppm1 4.096 ppm2 2.394
ASSI { 611}
(( segid " A" and resid 31 and name H5' ))
(( segid " A" and resid 31 and name H4' ))
2.850 0.570 0.570 peak 611 weight 1.00000E+00 volume 1.55000E+07 ppm1 4.134 ppm2 2.396
ASSI { 612}
(( segid " A" and resid 31 and name H5' ))
(( segid " A" and resid 31 and name H5''))
2.617 0.523 0.523 peak 612 weight 1.00000E+00 volume 2.59000E+07 ppm1 3.687 ppm2 2.396
ASSI { 613}
( segid " A" and resid 9 and name H5# )
(( segid " A" and resid 11 and name H8 ))
6.332 1.266 1.266 peak 613 weight 1.00000E+00 volume 1.29000E+05 ppm1 8.099 ppm2 2.093
ASSI { 614}
(( segid " A" and resid 8 and name H2''))
(( segid " A" and resid 8 and name H2' ))
2.378 0.476 0.476 peak 614 weight 1.00000E+00 volume 4.60000E+07 ppm1 2.698 ppm2 2.507
ASSI { 615}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 12 and name H8 ))
3.351 0.670 0.670 peak 615 weight 1.00000E+00 volume 5.87000E+06 ppm1 11.561 ppm2 7.648
ASSI { 616}
(( segid " A" and resid 32 and name H1 ))
(( segid " A" and resid 12 and name H8 ))
4.486 0.897 0.897 peak 616 weight 1.00000E+00 volume 1.02000E+06 ppm1 11.482 ppm2 7.647
ASSI { 617}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 25 and name H8 ))
4.478 0.896 0.896 peak 617 weight 1.00000E+00 volume 1.03000E+06 ppm1 11.393 ppm2 8.087
ASSI { 618}
(( segid " A" and resid 11 and name H8 ))
(( segid " A" and resid 12 and name H8 ))
4.044 0.809 0.809 peak 618 weight 1.00000E+00 volume 1.90000E+06 ppm1 8.099 ppm2 7.647
ASSI { 619}
(( segid " A" and resid 11 and name H1' ))
(( segid " A" and resid 12 and name H8 ))
3.297 0.659 0.659 peak 619 weight 1.00000E+00 volume 6.47000E+06 ppm1 7.646 ppm2 6.255
ASSI { 620}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 25 and name H1' ))
3.294 0.659 0.659 peak 620 weight 1.00000E+00 volume 6.50000E+06 ppm1 7.847 ppm2 6.108
ASSI { 621}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 12 and name H1' ))
3.275 0.655 0.655 peak 621 weight 1.00000E+00 volume 6.73000E+06 ppm1 7.582 ppm2 6.087
ASSI { 622}
(( segid " A" and resid 31 and name H1' ))
(( segid " A" and resid 13 and name H8 ))
3.841 0.768 0.768 peak 622 weight 1.00000E+00 volume 2.59000E+06 ppm1 7.581 ppm2 5.587
ASSI { 623}
(( segid " A" and resid 11 and name H2' ))
(( segid " A" and resid 12 and name H8 ))
3.094 0.619 0.619 peak 623 weight 1.00000E+00 volume 9.47000E+06 ppm1 7.646 ppm2 3.115
ASSI { 624}
(( segid " A" and resid 11 and name H2''))
(( segid " A" and resid 12 and name H8 ))
2.866 0.573 0.573 peak 624 weight 1.00000E+00 volume 1.50000E+07 ppm1 7.644 ppm2 2.913
ASSI { 625}
(( segid " A" and resid 12 and name H2''))
(( segid " A" and resid 12 and name H2' ))
2.327 0.465 0.465 peak 625 weight 1.00000E+00 volume 5.23000E+07 ppm1 2.776 ppm2 2.554
ASSI { 626}
(( segid " A" and resid 11 and name H8 ))
(( segid " A" and resid 10 and name H6 ))
4.501 0.900 0.900 peak 626 weight 1.00000E+00 volume 1.00000E+06 ppm1 8.100 ppm2 7.523
ASSI { 627}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 13 and name H8 ))
5.775 1.155 1.155 peak 627 weight 1.00000E+00 volume 2.24000E+05 ppm1 7.581 ppm2 7.199
ASSI { 628}
(( segid " A" and resid 30 and name H8 ))
(( segid " A" and resid 30 and name H3' ))
4.188 0.838 0.838 peak 628 weight 1.00000E+00 volume 1.54000E+06 ppm1 7.483 ppm2 4.518
ASSI { 629}
(( segid " A" and resid 4 and name H1' ))
(( segid " A" and resid 5 and name H3' ))
5.203 1.041 1.041 peak 629 weight 1.00000E+00 volume 4.19000E+05 ppm1 6.498 ppm2 5.147
ASSI { 630}
(( segid " A" and resid 30 and name H4' ))
(( segid " A" and resid 30 and name H5''))
2.841 0.568 0.568 peak 630 weight 1.00000E+00 volume 1.58000E+07 ppm1 4.073 ppm2 3.905
ASSI { 631}
(( segid " A" and resid 31 and name H2''))
(( segid " A" and resid 31 and name H4' ))
2.931 0.586 0.586 peak 631 weight 1.00000E+00 volume 1.31000E+07 ppm1 4.135 ppm2 1.651
ASSI { 632}
( segid " A" and resid 27 and name H5'*)
(( segid " A" and resid 27 and name H2''))
2.928 0.586 0.586 peak 632 weight 1.00000E+00 volume 1.32000E+07 ppm1 4.223 ppm2 1.646
ASSI { 633}
( segid " A" and resid 27 and name H5'*)
(( segid " A" and resid 27 and name H2' ))
3.619 0.724 0.724 peak 633 weight 1.00000E+00 volume 3.70000E+06 ppm1 4.225 ppm2 2.140
ASSI { 634}
( segid " A" and resid 28 and name H5'*)
(( segid " A" and resid 27 and name H2' ))
3.700 0.740 0.740 peak 634 weight 1.00000E+00 volume 3.24000E+06 ppm1 4.177 ppm2 2.140
ASSI { 635}
( segid " A" and resid 28 and name H5'*)
(( segid " A" and resid 27 and name H2''))
4.175 0.835 0.835 peak 635 weight 1.00000E+00 volume 1.57000E+06 ppm1 4.177 ppm2 1.643
ASSI { 636}
(( segid " A" and resid 16 and name H1' ))
(( segid " A" and resid 17 and name H8 ))
3.935 0.787 0.787 peak 636 weight 1.00000E+00 volume 2.24000E+06 ppm1 8.082 ppm2 5.426
ASSI { 637}
(( segid " A" and resid 17 and name H8 ))
(( segid " A" and resid 17 and name H1' ))
3.438 0.688 0.688 peak 637 weight 1.00000E+00 volume 5.03000E+06 ppm1 8.084 ppm2 6.014
ASSI { 638}
(( segid " A" and resid 17 and name H1' ))
(( segid " A" and resid 18 and name H8 ))
6.174 1.235 1.235 peak 638 weight 1.00000E+00 volume 1.50000E+05 ppm1 7.777 ppm2 6.015
ASSI { 639}
(( segid " A" and resid 18 and name H8 ))
(( segid " A" and resid 18 and name H1' ))
3.217 0.643 0.643 peak 639 weight 1.00000E+00 volume 7.50000E+06 ppm1 7.777 ppm2 5.701
ASSI { 640}
(( segid " A" and resid 18 and name H1' ))
(( segid " A" and resid 18 and name H3' ))
4.040 0.808 0.808 peak 640 weight 1.00000E+00 volume 1.91000E+06 ppm1 5.699 ppm2 4.908
ASSI { 641}
(( segid " A" and resid 18 and name H1' ))
(( segid " A" and resid 18 and name H4' ))
3.473 0.695 0.695 peak 641 weight 1.00000E+00 volume 4.74000E+06 ppm1 5.699 ppm2 4.267
ASSI { 642}
(( segid " A" and resid 18 and name H1' ))
( segid " A" and resid 18 and name H5'*)
3.170 0.634 0.634 peak 642 weight 1.00000E+00 volume 8.19000E+06 ppm1 5.700 ppm2 4.047
ASSI { 643}
(( segid " A" and resid 17 and name H1' ))
(( segid " A" and resid 17 and name H5' ))
4.157 0.831 0.831 peak 643 weight 1.00000E+00 volume 1.61000E+06 ppm1 6.010 ppm2 4.063
ASSI { 644}
(( segid " A" and resid 18 and name H1' ))
( segid " A" and resid 18 and name H2'*)
2.931 0.586 0.586 peak 644 weight 1.00000E+00 volume 1.31000E+07 ppm1 5.699 ppm2 2.412
ASSI { 645}
(( segid " A" and resid 17 and name H8 ))
(( segid " A" and resid 17 and name H2' ))
2.391 0.478 0.478 peak 645 weight 1.00000E+00 volume 4.45000E+07 ppm1 8.083 ppm2 2.538
ASSI { 646}
(( segid " A" and resid 17 and name H8 ))
(( segid " A" and resid 17 and name H2''))
2.677 0.535 0.535 peak 646 weight 1.00000E+00 volume 2.26000E+07 ppm1 8.078 ppm2 2.460
ASSI { 647}
(( segid " A" and resid 17 and name H1' ))
(( segid " A" and resid 17 and name H2''))
3.254 0.651 0.651 peak 647 weight 1.00000E+00 volume 7.00000E+06 ppm1 6.014 ppm2 2.455
ASSI { 648}
(( segid " A" and resid 17 and name H1' ))
(( segid " A" and resid 17 and name H2' ))
2.476 0.495 0.495 peak 648 weight 1.00000E+00 volume 3.61000E+07 ppm1 6.011 ppm2 2.540
ASSI { 649}
(( segid " A" and resid 18 and name H8 ))
( segid " A" and resid 18 and name H2'*)
2.436 0.487 0.487 peak 649 weight 1.00000E+00 volume 3.98000E+07 ppm1 7.778 ppm2 2.410
ASSI { 650}
(( segid " A" and resid 17 and name H8 ))
(( segid " A" and resid 17 and name H5' ))
4.055 0.811 0.811 peak 650 weight 1.00000E+00 volume 1.87000E+06 ppm1 8.083 ppm2 4.064
ASSI { 651}
(( segid " A" and resid 18 and name H8 ))
( segid " A" and resid 18 and name H5'*)
3.756 0.751 0.751 peak 651 weight 1.00000E+00 volume 2.96000E+06 ppm1 7.778 ppm2 4.049
ASSI { 652}
(( segid " A" and resid 18 and name H8 ))
(( segid " A" and resid 18 and name H4' ))
4.010 0.802 0.802 peak 652 weight 1.00000E+00 volume 2.00000E+06 ppm1 7.777 ppm2 4.264
ASSI { 653}
(( segid " A" and resid 17 and name H1' ))
(( segid " A" and resid 17 and name H5''))
4.096 0.819 0.819 peak 653 weight 1.00000E+00 volume 1.76000E+06 ppm1 6.010 ppm2 4.110
ASSI { 654}
(( segid " A" and resid 17 and name H8 ))
(( segid " A" and resid 17 and name H5''))
3.952 0.790 0.790 peak 654 weight 1.00000E+00 volume 2.18000E+06 ppm1 8.082 ppm2 4.092
ASSI { 655}
(( segid " A" and resid 17 and name H8 ))
(( segid " A" and resid 17 and name H4' ))
3.442 0.688 0.688 peak 655 weight 1.00000E+00 volume 5.00000E+06 ppm1 8.084 ppm2 4.269
ASSI { 656}
(( segid " A" and resid 17 and name H1' ))
(( segid " A" and resid 17 and name H4' ))
3.962 0.792 0.792 peak 656 weight 1.00000E+00 volume 2.15000E+06 ppm1 6.010 ppm2 4.262
ASSI { 657}
(( segid " A" and resid 17 and name H2''))
(( segid " A" and resid 17 and name H3' ))
3.339 0.668 0.668 peak 657 weight 1.00000E+00 volume 6.00000E+06 ppm1 4.945 ppm2 2.464
ASSI { 658}
(( segid " A" and resid 17 and name H2' ))
(( segid " A" and resid 17 and name H3' ))
3.771 0.754 0.754 peak 658 weight 1.00000E+00 volume 2.89000E+06 ppm1 4.942 ppm2 2.535
ASSI { 659}
(( segid " A" and resid 18 and name H3' ))
( segid " A" and resid 18 and name H2'*)
2.876 0.575 0.575 peak 659 weight 1.00000E+00 volume 1.47000E+07 ppm1 4.916 ppm2 2.402
ASSI { 660}
(( segid " A" and resid 18 and name H4' ))
( segid " A" and resid 18 and name H5'*)
2.483 0.497 0.497 peak 660 weight 1.00000E+00 volume 3.55000E+07 ppm1 4.265 ppm2 4.062
ASSI { 661}
(( segid " A" and resid 18 and name H4' ))
( segid " A" and resid 18 and name H2'*)
3.572 0.714 0.714 peak 661 weight 1.00000E+00 volume 4.00000E+06 ppm1 4.264 ppm2 2.412
ASSI { 662}
( segid " A" and resid 18 and name H5'*)
( segid " A" and resid 18 and name H2'*)
3.990 0.798 0.798 peak 662 weight 1.00000E+00 volume 2.06000E+06 ppm1 4.051 ppm2 2.414
ASSI { 663}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 25 and name H2' ))
2.979 0.596 0.596 peak 663 weight 1.00000E+00 volume 1.19000E+07 ppm1 7.847 ppm2 3.000
ASSI { 664}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 1 and name H2' ))
3.152 0.630 0.630 peak 664 weight 1.00000E+00 volume 8.48000E+06 ppm1 8.125 ppm2 2.672
ASSI { 665}
( segid " A" and resid 27 and name H2# )
(( segid " A" and resid 30 and name H2 ))
6.023 1.205 1.205 peak 665 weight 1.00000E+00 volume 1.74000E+05 ppm1 7.490 ppm2 6.870
ASSI { 666}
(( segid " A" and resid 5 and name H5 ))
(( segid " A" and resid 5 and name H3' ))
4.574 0.915 0.915 peak 666 weight 1.00000E+00 volume 9.07000E+05 ppm1 6.252 ppm2 5.141
ASSI { 667}
(( segid " A" and resid 19 and name H8 ))
(( segid " A" and resid 19 and name H1' ))
4.010 0.802 0.802 peak 667 weight 1.00000E+00 volume 2.00000E+06 ppm1 7.783 ppm2 5.773
ASSI { 668}
(( segid " A" and resid 20 and name H8 ))
(( segid " A" and resid 19 and name H1' ))
6.700 1.340 1.300 peak 668 weight 1.00000E+00 volume 9.19000E+04 ppm1 7.818 ppm2 5.770
ASSI { 669}
(( segid " A" and resid 22 and name H1' ))
(( segid " A" and resid 23 and name H8 ))
4.410 0.882 0.882 peak 669 weight 1.00000E+00 volume 1.13000E+06 ppm1 7.726 ppm2 5.977
ASSI { 670}
(( segid " A" and resid 18 and name H8 ))
(( segid " A" and resid 18 and name H3' ))
3.353 0.671 0.671 peak 670 weight 1.00000E+00 volume 5.85000E+06 ppm1 7.778 ppm2 4.906
ASSI { 671}
(( segid " A" and resid 19 and name H1' ))
(( segid " A" and resid 19 and name H3' ))
4.677 0.935 0.935 peak 671 weight 1.00000E+00 volume 7.94000E+05 ppm1 5.771 ppm2 4.881
ASSI { 672}
(( segid " A" and resid 19 and name H1' ))
(( segid " A" and resid 19 and name H4' ))
3.630 0.726 0.726 peak 672 weight 1.00000E+00 volume 3.63000E+06 ppm1 5.771 ppm2 4.228
ASSI { 673}
(( segid " A" and resid 20 and name H5''))
(( segid " A" and resid 19 and name H1' ))
3.254 0.651 0.651 peak 673 weight 1.00000E+00 volume 7.00000E+06 ppm1 5.771 ppm2 3.919
ASSI { 674}
(( segid " A" and resid 20 and name H5' ))
(( segid " A" and resid 19 and name H1' ))
3.562 0.712 0.712 peak 674 weight 1.00000E+00 volume 4.07000E+06 ppm1 5.770 ppm2 3.861
ASSI { 675}
(( segid " A" and resid 19 and name H1' ))
(( segid " A" and resid 19 and name H2''))
2.772 0.554 0.554 peak 675 weight 1.00000E+00 volume 1.83000E+07 ppm1 5.770 ppm2 2.414
ASSI { 676}
(( segid " A" and resid 19 and name H1' ))
(( segid " A" and resid 19 and name H2' ))
2.594 0.519 0.519 peak 676 weight 1.00000E+00 volume 2.73000E+07 ppm1 5.770 ppm2 2.488
ASSI { 677}
(( segid " A" and resid 19 and name H8 ))
(( segid " A" and resid 19 and name H2' ))
3.416 0.683 0.683 peak 677 weight 1.00000E+00 volume 5.23000E+06 ppm1 7.783 ppm2 2.487
ASSI { 678}
(( segid " A" and resid 18 and name H8 ))
(( segid " A" and resid 19 and name H2''))
2.557 0.511 0.511 peak 678 weight 1.00000E+00 volume 2.97000E+07 ppm1 7.786 ppm2 2.412
ASSI { 679}
(( segid " A" and resid 19 and name H5' ))
(( segid " A" and resid 19 and name H1' ))
3.748 0.750 0.750 peak 679 weight 1.00000E+00 volume 3.00000E+06 ppm1 5.769 ppm2 3.977
ASSI { 680}
(( segid " A" and resid 19 and name H5''))
(( segid " A" and resid 19 and name H1' ))
4.501 0.900 0.900 peak 680 weight 1.00000E+00 volume 1.00000E+06 ppm1 5.768 ppm2 4.041
ASSI { 681}
(( segid " A" and resid 19 and name H4' ))
(( segid " A" and resid 19 and name H2''))
4.255 0.851 0.851 peak 681 weight 1.00000E+00 volume 1.40000E+06 ppm1 4.229 ppm2 2.417
ASSI { 682}
(( segid " A" and resid 19 and name H4' ))
(( segid " A" and resid 19 and name H2' ))
4.096 0.819 0.819 peak 682 weight 1.00000E+00 volume 1.76000E+06 ppm1 4.227 ppm2 2.483
ASSI { 683}
(( segid " A" and resid 19 and name H2''))
(( segid " A" and resid 19 and name H2' ))
2.168 0.434 0.434 peak 683 weight 1.00000E+00 volume 8.00000E+07 ppm1 2.497 ppm2 2.410
ASSI { 684}
(( segid " A" and resid 23 and name H1' ))
(( segid " A" and resid 23 and name H3' ))
4.303 0.861 0.861 peak 684 weight 1.00000E+00 volume 1.31000E+06 ppm1 5.641 ppm2 4.920
ASSI { 685}
(( segid " A" and resid 23 and name H1' ))
(( segid " A" and resid 23 and name H4' ))
3.536 0.707 0.707 peak 685 weight 1.00000E+00 volume 4.25000E+06 ppm1 5.641 ppm2 4.272
ASSI { 686}
(( segid " A" and resid 23 and name H1' ))
(( segid " A" and resid 23 and name H5''))
3.798 0.760 0.760 peak 686 weight 1.00000E+00 volume 2.77000E+06 ppm1 5.641 ppm2 4.169
ASSI { 687}
(( segid " A" and resid 23 and name H1' ))
(( segid " A" and resid 23 and name H5' ))
4.598 0.920 0.920 peak 687 weight 1.00000E+00 volume 8.80000E+05 ppm1 5.641 ppm2 4.080
ASSI { 688}
(( segid " A" and resid 23 and name H1' ))
( segid " A" and resid 23 and name H2'*)
2.958 0.592 0.592 peak 688 weight 1.00000E+00 volume 1.24000E+07 ppm1 5.641 ppm2 2.409
ASSI { 689}
(( segid " A" and resid 23 and name H8 ))
( segid " A" and resid 23 and name H2'*)
3.415 0.683 0.683 peak 689 weight 1.00000E+00 volume 5.24000E+06 ppm1 7.730 ppm2 2.413
ASSI { 690}
(( segid " A" and resid 23 and name H8 ))
(( segid " A" and resid 23 and name H4' ))
4.336 0.867 0.867 peak 690 weight 1.00000E+00 volume 1.25000E+06 ppm1 7.730 ppm2 4.269
ASSI { 691}
(( segid " A" and resid 23 and name H8 ))
(( segid " A" and resid 23 and name H5''))
4.314 0.863 0.863 peak 691 weight 1.00000E+00 volume 1.29000E+06 ppm1 7.730 ppm2 4.170
ASSI { 692}
(( segid " A" and resid 23 and name H8 ))
(( segid " A" and resid 23 and name H5' ))
4.336 0.867 0.867 peak 692 weight 1.00000E+00 volume 1.25000E+06 ppm1 7.728 ppm2 4.079
ASSI { 693}
(( segid " A" and resid 23 and name H5' ))
( segid " A" and resid 23 and name H2'*)
4.100 0.820 0.820 peak 693 weight 1.00000E+00 volume 1.75000E+06 ppm1 4.080 ppm2 2.412
ASSI { 694}
(( segid " A" and resid 23 and name H5''))
( segid " A" and resid 23 and name H2'*)
4.044 0.809 0.809 peak 694 weight 1.00000E+00 volume 1.90000E+06 ppm1 4.167 ppm2 2.409
ASSI { 695}
(( segid " A" and resid 23 and name H4' ))
( segid " A" and resid 23 and name H2'*)
4.170 0.834 0.834 peak 695 weight 1.00000E+00 volume 1.58000E+06 ppm1 4.272 ppm2 2.410
ASSI { 696}
(( segid " A" and resid 23 and name H8 ))
(( segid " A" and resid 23 and name H3' ))
3.056 0.611 0.611 peak 696 weight 1.00000E+00 volume 1.02000E+07 ppm1 7.728 ppm2 4.918
ASSI { 697}
(( segid " A" and resid 24 and name H8 ))
(( segid " A" and resid 24 and name H3' ))
3.486 0.697 0.697 peak 697 weight 1.00000E+00 volume 4.63000E+06 ppm1 8.203 ppm2 5.097
ASSI { 698}
(( segid " A" and resid 24 and name H8 ))
(( segid " A" and resid 23 and name H3' ))
4.579 0.916 0.916 peak 698 weight 1.00000E+00 volume 9.01000E+05 ppm1 8.204 ppm2 4.920
ASSI { 699}
(( segid " A" and resid 24 and name H8 ))
( segid " A" and resid 23 and name H2'*)
3.647 0.729 0.729 peak 699 weight 1.00000E+00 volume 3.53000E+06 ppm1 8.204 ppm2 2.412
ASSI { 700}
(( segid " A" and resid 24 and name H8 ))
(( segid " A" and resid 24 and name H2' ))
2.935 0.587 0.587 peak 700 weight 1.00000E+00 volume 1.30000E+07 ppm1 8.204 ppm2 2.874
ASSI { 701}
(( segid " A" and resid 24 and name H8 ))
(( segid " A" and resid 24 and name H2''))
3.174 0.635 0.635 peak 701 weight 1.00000E+00 volume 8.13000E+06 ppm1 8.203 ppm2 2.789
ASSI { 702}
(( segid " A" and resid 24 and name H1' ))
(( segid " A" and resid 24 and name H3' ))
3.996 0.799 0.799 peak 702 weight 1.00000E+00 volume 2.04000E+06 ppm1 6.211 ppm2 5.103
ASSI { 703}
(( segid " A" and resid 24 and name H3' ))
(( segid " A" and resid 24 and name H4' ))
2.137 0.417 0.427 peak 703 weight 1.00000E+00 volume 8.72000E+07 ppm1 5.097 ppm2 4.453
ASSI { 704}
(( segid " A" and resid 5 and name H3' ))
(( segid " A" and resid 6 and name H4' ))
4.843 0.969 0.969 peak 704 weight 1.00000E+00 volume 6.44000E+05 ppm1 5.143 ppm2 4.455
ASSI { 705}
(( segid " A" and resid 24 and name H1' ))
(( segid " A" and resid 24 and name H5' ))
4.188 0.838 0.838 peak 705 weight 1.00000E+00 volume 1.54000E+06 ppm1 6.213 ppm2 4.157
ASSI { 706}
(( segid " A" and resid 24 and name H1' ))
(( segid " A" and resid 24 and name H5''))
3.466 0.693 0.693 peak 706 weight 1.00000E+00 volume 4.79000E+06 ppm1 6.214 ppm2 4.264
ASSI { 707}
(( segid " A" and resid 24 and name H3' ))
(( segid " A" and resid 24 and name H5''))
4.493 0.899 0.899 peak 707 weight 1.00000E+00 volume 1.01000E+06 ppm1 5.099 ppm2 4.269
ASSI { 708}
(( segid " A" and resid 24 and name H3' ))
(( segid " A" and resid 24 and name H5' ))
3.066 0.613 0.613 peak 708 weight 1.00000E+00 volume 1.00000E+07 ppm1 5.097 ppm2 4.157
ASSI { 709}
(( segid " A" and resid 24 and name H1' ))
(( segid " A" and resid 24 and name H2''))
2.812 0.562 0.562 peak 709 weight 1.00000E+00 volume 1.68000E+07 ppm1 6.214 ppm2 2.787
ASSI { 710}
(( segid " A" and resid 24 and name H3' ))
(( segid " A" and resid 24 and name H2''))
3.066 0.613 0.613 peak 710 weight 1.00000E+00 volume 1.00000E+07 ppm1 5.097 ppm2 2.792
ASSI { 711}
(( segid " A" and resid 24 and name H2' ))
(( segid " A" and resid 24 and name H2''))
2.403 0.481 0.481 peak 711 weight 1.00000E+00 volume 4.32000E+07 ppm1 2.877 ppm2 2.788
ASSI { 712}
(( segid " A" and resid 24 and name H8 ))
(( segid " A" and resid 24 and name H5' ))
4.216 0.843 0.843 peak 712 weight 1.00000E+00 volume 1.48000E+06 ppm1 8.203 ppm2 4.161
ASSI { 713}
(( segid " A" and resid 24 and name H8 ))
(( segid " A" and resid 24 and name H5''))
4.255 0.851 0.851 peak 713 weight 1.00000E+00 volume 1.40000E+06 ppm1 8.203 ppm2 4.267
ASSI { 714}
(( segid " A" and resid 24 and name H8 ))
(( segid " A" and resid 24 and name H4' ))
4.553 0.911 0.911 peak 714 weight 1.00000E+00 volume 9.33000E+05 ppm1 8.203 ppm2 4.457
ASSI { 715}
(( segid " A" and resid 10 and name H5' ))
(( segid " A" and resid 10 and name H5''))
2.444 0.489 0.489 peak 715 weight 1.00000E+00 volume 3.90000E+07 ppm1 4.152 ppm2 4.028
ASSI { 716}
(( segid " A" and resid 31 and name H2' ))
(( segid " A" and resid 30 and name H2''))
4.513 0.903 0.903 peak 716 weight 1.00000E+00 volume 9.83000E+05 ppm1 2.674 ppm2 2.491
ASSI { 717}
(( segid " A" and resid 31 and name H5' ))
(( segid " A" and resid 30 and name H2' ))
2.809 0.562 0.562 peak 717 weight 1.00000E+00 volume 1.69000E+07 ppm1 2.744 ppm2 2.395
ASSI { 718}
(( segid " A" and resid 31 and name H5' ))
(( segid " A" and resid 31 and name H2''))
4.108 0.822 0.822 peak 718 weight 1.00000E+00 volume 1.73000E+06 ppm1 2.397 ppm2 1.647
ASSI { 719}
(( segid " A" and resid 30 and name H5''))
(( segid " A" and resid 29 and name H2''))
4.308 0.862 0.862 peak 719 weight 1.00000E+00 volume 1.30000E+06 ppm1 3.904 ppm2 1.997
ASSI { 720}
(( segid " A" and resid 30 and name H5''))
(( segid " A" and resid 29 and name H2' ))
4.501 0.900 0.900 peak 720 weight 1.00000E+00 volume 1.00000E+06 ppm1 3.904 ppm2 2.149
ASSI { 721}
(( segid " A" and resid 20 and name H5' ))
( segid " A" and resid 20 and name H2'*)
3.266 0.653 0.653 peak 721 weight 1.00000E+00 volume 6.85000E+06 ppm1 3.861 ppm2 2.421
ASSI { 722}
(( segid " A" and resid 20 and name H5''))
( segid " A" and resid 20 and name H2'*)
3.543 0.709 0.709 peak 722 weight 1.00000E+00 volume 4.20000E+06 ppm1 3.916 ppm2 2.421
ASSI { 723}
(( segid " A" and resid 19 and name H5' ))
( segid " A" and resid 20 and name H2'*)
4.016 0.803 0.803 peak 723 weight 1.00000E+00 volume 1.98000E+06 ppm1 3.973 ppm2 2.419
ASSI { 724}
(( segid " A" and resid 21 and name H5''))
(( segid " A" and resid 21 and name H2''))
3.856 0.771 0.771 peak 724 weight 1.00000E+00 volume 2.53000E+06 ppm1 3.960 ppm2 2.518
ASSI { 725}
(( segid " A" and resid 10 and name H2' ))
(( segid " A" and resid 10 and name H5' ))
3.962 0.792 0.792 peak 725 weight 1.00000E+00 volume 2.15000E+06 ppm1 4.031 ppm2 2.600
ASSI { 726}
(( segid " A" and resid 31 and name H5''))
(( segid " A" and resid 31 and name H4' ))
3.300 0.660 0.660 peak 726 weight 1.00000E+00 volume 6.43000E+06 ppm1 4.133 ppm2 3.689
ASSI { 727}
(( segid " A" and resid 6 and name H3' ))
( segid " A" and resid 9 and name H5'*)
4.901 0.980 0.980 peak 727 weight 1.00000E+00 volume 6.00000E+05 ppm1 5.222 ppm2 4.279
ASSI { 728}
(( segid " A" and resid 2 and name H1' ))
(( segid " A" and resid 3 and name H5''))
2.705 0.541 0.541 peak 728 weight 1.00000E+00 volume 2.12000E+07 ppm1 6.226 ppm2 4.408
ASSI { 729}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 3 and name H3' ))
3.442 0.688 0.688 peak 729 weight 1.00000E+00 volume 5.00000E+06 ppm1 7.644 ppm2 5.048
ASSI { 730}
(( segid " A" and resid 32 and name H2''))
(( segid " A" and resid 32 and name H1 ))
5.042 1.008 1.008 peak 730 weight 1.00000E+00 volume 5.06000E+05 ppm1 11.483 ppm2 2.759
ASSI { 731}
(( segid " A" and resid 31 and name H5' ))
(( segid " A" and resid 32 and name H1 ))
5.674 1.135 1.135 peak 731 weight 1.00000E+00 volume 2.49000E+05 ppm1 11.482 ppm2 2.396
ASSI { 732}
(( segid " A" and resid 4 and name H1 ))
(( segid " A" and resid 31 and name H5' ))
5.052 1.010 1.010 peak 732 weight 1.00000E+00 volume 5.00000E+05 ppm1 10.889 ppm2 2.396
ASSI { 733}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 24 and name H2''))
6.417 1.283 1.283 peak 733 weight 1.00000E+00 volume 1.19000E+05 ppm1 11.773 ppm2 2.786
ASSI { 734}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 24 and name H2' ))
6.154 1.231 1.231 peak 734 weight 1.00000E+00 volume 1.53000E+05 ppm1 11.775 ppm2 2.873
ASSI { 735}
(( segid " A" and resid 26 and name H1 ))
(( segid " A" and resid 2 and name H2' ))
4.501 0.900 0.900 peak 735 weight 1.00000E+00 volume 1.00000E+06 ppm1 11.557 ppm2 3.148
ASSI { 736}
(( segid " A" and resid 26 and name H1 ))
(( segid " A" and resid 2 and name H2''))
4.501 0.900 0.900 peak 736 weight 1.00000E+00 volume 1.00000E+06 ppm1 11.555 ppm2 2.876
ASSI { 737}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 32 and name H4' ))
5.801 1.160 1.160 peak 737 weight 1.00000E+00 volume 2.18000E+05 ppm1 11.559 ppm2 4.213
ASSI { 738}
(( segid " A" and resid 12 and name H8 ))
( segid " A" and resid 32 and name H2# )
3.439 0.688 0.688 peak 738 weight 1.00000E+00 volume 5.02000E+06 ppm1 7.645 ppm2 7.389
ASSI { 739}
(( segid " A" and resid 16 and name H8 ))
(( segid " A" and resid 17 and name H8 ))
4.478 0.896 0.896 peak 739 weight 1.00000E+00 volume 1.03000E+06 ppm1 7.785 ppm2 8.078
ASSI { 740}
(( segid " A" and resid 26 and name H8 ))
(( segid " A" and resid 25 and name H8 ))
4.651 0.930 0.930 peak 740 weight 1.00000E+00 volume 8.21000E+05 ppm1 8.085 ppm2 7.841
ASSI { 741}
(( segid " A" and resid 17 and name H1' ))
(( segid " A" and resid 17 and name H3' ))
4.450 0.890 0.890 peak 741 weight 1.00000E+00 volume 1.07000E+06 ppm1 6.007 ppm2 4.939
ASSI { 742}
(( segid " A" and resid 17 and name H8 ))
(( segid " A" and resid 17 and name H3' ))
3.180 0.636 0.636 peak 742 weight 1.00000E+00 volume 8.03000E+06 ppm1 8.081 ppm2 4.943
ASSI { 743}
(( segid " A" and resid 32 and name H2' ))
(( segid " A" and resid 12 and name H8 ))
4.960 0.992 0.992 peak 743 weight 1.00000E+00 volume 5.58000E+05 ppm1 7.645 ppm2 3.469
ASSI { 744}
(( segid " A" and resid 3 and name H2''))
(( segid " A" and resid 3 and name H3' ))
3.748 0.750 0.750 peak 744 weight 1.00000E+00 volume 3.00000E+06 ppm1 5.041 ppm2 2.586
ASSI { 745}
(( segid " A" and resid 14 and name H1' ))
(( segid " A" and resid 15 and name H8 ))
3.616 0.723 0.723 peak 745 weight 1.00000E+00 volume 3.72000E+06 ppm1 8.138 ppm2 6.041
ASSI { 746}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 15 and name H1' ))
3.277 0.655 0.655 peak 746 weight 1.00000E+00 volume 6.71000E+06 ppm1 8.138 ppm2 5.944
ASSI { 747}
(( segid " A" and resid 16 and name H8 ))
(( segid " A" and resid 15 and name H1' ))
4.430 0.886 0.886 peak 747 weight 1.00000E+00 volume 1.10000E+06 ppm1 7.789 ppm2 5.942
ASSI { 748}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 15 and name H3' ))
3.429 0.686 0.686 peak 748 weight 1.00000E+00 volume 5.11000E+06 ppm1 8.138 ppm2 4.991
ASSI { 749}
(( segid " A" and resid 16 and name H8 ))
(( segid " A" and resid 15 and name H3' ))
6.492 1.298 1.298 peak 749 weight 1.00000E+00 volume 1.11000E+05 ppm1 7.790 ppm2 4.993
ASSI { 750}
(( segid " A" and resid 15 and name H1' ))
(( segid " A" and resid 15 and name H3' ))
3.087 0.617 0.617 peak 750 weight 1.00000E+00 volume 9.61000E+06 ppm1 5.942 ppm2 4.994
ASSI { 751}
(( segid " A" and resid 15 and name H1' ))
(( segid " A" and resid 15 and name H4' ))
4.081 0.816 0.816 peak 751 weight 1.00000E+00 volume 1.80000E+06 ppm1 5.944 ppm2 4.364
ASSI { 752}
(( segid " A" and resid 15 and name H1' ))
(( segid " A" and resid 15 and name H2''))
2.987 0.597 0.597 peak 752 weight 1.00000E+00 volume 1.17000E+07 ppm1 5.942 ppm2 2.522
ASSI { 753}
(( segid " A" and resid 15 and name H1' ))
(( segid " A" and resid 15 and name H2' ))
2.584 0.517 0.517 peak 753 weight 1.00000E+00 volume 2.79000E+07 ppm1 5.944 ppm2 2.587
ASSI { 754}
(( segid " A" and resid 15 and name H1' ))
( segid " A" and resid 15 and name H5'*)
4.077 0.815 0.815 peak 754 weight 1.00000E+00 volume 1.81000E+06 ppm1 5.940 ppm2 4.097
ASSI { 755}
(( segid " A" and resid 15 and name H3' ))
(( segid " A" and resid 15 and name H2' ))
3.339 0.668 0.668 peak 755 weight 1.00000E+00 volume 6.00000E+06 ppm1 4.995 ppm2 2.586
ASSI { 756}
(( segid " A" and resid 15 and name H3' ))
(( segid " A" and resid 15 and name H2''))
3.339 0.668 0.668 peak 756 weight 1.00000E+00 volume 6.00000E+06 ppm1 4.995 ppm2 2.524
ASSI { 757}
(( segid " A" and resid 15 and name H2' ))
( segid " A" and resid 15 and name H5'*)
4.260 0.852 0.852 peak 757 weight 1.00000E+00 volume 1.39000E+06 ppm1 4.094 ppm2 2.585
ASSI { 758}
(( segid " A" and resid 15 and name H2''))
( segid " A" and resid 15 and name H5'*)
4.188 0.838 0.838 peak 758 weight 1.00000E+00 volume 1.54000E+06 ppm1 4.095 ppm2 2.520
ASSI { 759}
(( segid " A" and resid 29 and name H3' ))
(( segid " A" and resid 29 and name H4' ))
3.640 0.728 0.728 peak 759 weight 1.00000E+00 volume 3.57000E+06 ppm1 4.383 ppm2 2.346
ASSI { 760}
( segid " A" and resid 29 and name H5'*)
(( segid " A" and resid 29 and name H4' ))
2.775 0.555 0.555 peak 760 weight 1.00000E+00 volume 1.82000E+07 ppm1 3.579 ppm2 2.344
ASSI { 761}
(( segid " A" and resid 30 and name H5''))
(( segid " A" and resid 29 and name H4' ))
5.885 1.177 1.177 peak 761 weight 1.00000E+00 volume 2.00000E+05 ppm1 3.906 ppm2 2.345
ASSI { 762}
(( segid " A" and resid 30 and name H5' ))
(( segid " A" and resid 29 and name H4' ))
6.083 1.217 1.217 peak 762 weight 1.00000E+00 volume 1.64000E+05 ppm1 3.102 ppm2 2.343
ASSI { 763}
(( segid " A" and resid 29 and name H2' ))
(( segid " A" and resid 29 and name H4' ))
4.501 0.900 0.900 peak 763 weight 1.00000E+00 volume 1.00000E+06 ppm1 2.347 ppm2 2.148
ASSI { 764}
(( segid " A" and resid 29 and name H2''))
(( segid " A" and resid 29 and name H4' ))
4.450 0.890 0.890 peak 764 weight 1.00000E+00 volume 1.07000E+06 ppm1 2.343 ppm2 1.995
ASSI { 765}
( segid " A" and resid 25 and name H5'*)
(( segid " A" and resid 24 and name H2''))
4.010 0.802 0.802 peak 765 weight 1.00000E+00 volume 2.00000E+06 ppm1 4.239 ppm2 2.785
ASSI { 766}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 30 and name H8 ))
4.391 0.878 0.878 peak 766 weight 1.00000E+00 volume 1.16000E+06 ppm1 11.223 ppm2 7.484
ASSI { 767}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 23 and name H8 ))
5.471 1.094 1.094 peak 767 weight 1.00000E+00 volume 3.10000E+05 ppm1 7.730 ppm2 8.127
ASSI { 768}
(( segid " A" and resid 23 and name H8 ))
(( segid " A" and resid 24 and name H8 ))
4.801 0.960 0.960 peak 768 weight 1.00000E+00 volume 6.79000E+05 ppm1 7.730 ppm2 8.202
ASSI { 769}
(( segid " A" and resid 16 and name H8 ))
(( segid " A" and resid 15 and name H8 ))
4.501 0.900 0.900 peak 769 weight 1.00000E+00 volume 1.00000E+06 ppm1 7.788 ppm2 8.141
ASSI { 770}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 31 and name H4' ))
4.772 0.954 0.954 peak 770 weight 1.00000E+00 volume 7.04000E+05 ppm1 7.195 ppm2 4.136
ASSI { 771}
(( segid " A" and resid 30 and name H8 ))
(( segid " A" and resid 31 and name H5' ))
2.935 0.587 0.587 peak 771 weight 1.00000E+00 volume 1.30000E+07 ppm1 7.485 ppm2 2.397
ASSI { 772}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 30 and name H5''))
5.655 1.131 1.131 peak 772 weight 1.00000E+00 volume 2.54000E+05 ppm1 7.195 ppm2 3.899
ASSI { 773}
(( segid " A" and resid 30 and name H8 ))
(( segid " A" and resid 30 and name H4' ))
3.658 0.732 0.732 peak 773 weight 1.00000E+00 volume 3.47000E+06 ppm1 7.484 ppm2 4.076
ASSI { 774}
(( segid " A" and resid 4 and name H1 ))
(( segid " A" and resid 30 and name H5' ))
5.754 1.151 1.151 peak 774 weight 1.00000E+00 volume 2.29000E+05 ppm1 10.890 ppm2 3.105
ASSI { 775}
(( segid " A" and resid 4 and name H1 ))
(( segid " A" and resid 30 and name H5''))
5.952 1.190 1.190 peak 775 weight 1.00000E+00 volume 1.87000E+05 ppm1 10.889 ppm2 3.901
ASSI { 776}
(( segid " A" and resid 30 and name H4' ))
(( segid " A" and resid 30 and name H5' ))
3.389 0.678 0.678 peak 776 weight 1.00000E+00 volume 5.49000E+06 ppm1 4.073 ppm2 3.102
ASSI { 777}
(( segid " A" and resid 30 and name H5' ))
(( segid " A" and resid 30 and name H5''))
2.494 0.499 0.499 peak 777 weight 1.00000E+00 volume 3.45000E+07 ppm1 3.903 ppm2 3.102
ASSI { 778}
(( segid " A" and resid 16 and name H1' ))
(( segid " A" and resid 15 and name H2' ))
7.034 1.407 0.966 peak 778 weight 1.00000E+00 volume 6.86000E+04 ppm1 5.425 ppm2 2.583
ASSI { 779}
(( segid " A" and resid 29 and name H8 ))
( segid " A" and resid 29 and name H5'*)
3.294 0.659 0.659 peak 779 weight 1.00000E+00 volume 6.51000E+06 ppm1 7.575 ppm2 3.582
ASSI { 780}
(( segid " A" and resid 28 and name H8 ))
( segid " A" and resid 29 and name H5'*)
4.781 0.956 0.956 peak 780 weight 1.00000E+00 volume 6.96000E+05 ppm1 7.941 ppm2 3.586
ASSI { 781}
( segid " A" and resid 28 and name H2# )
( segid " A" and resid 29 and name H5'*)
5.775 1.155 1.155 peak 781 weight 1.00000E+00 volume 2.24000E+05 ppm1 8.613 ppm2 3.581
ASSI { 782}
(( segid " A" and resid 32 and name H8 ))
(( segid " A" and resid 30 and name H5' ))
6.595 1.319 1.319 peak 782 weight 1.00000E+00 volume 1.01000E+05 ppm1 7.762 ppm2 3.107
ASSI { 783}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 3 and name H5' ))
5.090 1.018 1.018 peak 783 weight 1.00000E+00 volume 4.78000E+05 ppm1 8.127 ppm2 4.349
ASSI { 784}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 3 and name H5''))
4.193 0.839 0.839 peak 784 weight 1.00000E+00 volume 1.53000E+06 ppm1 8.127 ppm2 4.414
ASSI { 785}
( segid " A" and resid 28 and name H5'*)
(( segid " A" and resid 28 and name H2' ))
3.350 0.670 0.670 peak 785 weight 1.00000E+00 volume 5.88000E+06 ppm1 4.172 ppm2 2.796
ASSI { 786}
(( segid " A" and resid 29 and name H1' ))
(( segid " A" and resid 29 and name H4' ))
3.977 0.795 0.795 peak 786 weight 1.00000E+00 volume 2.10000E+06 ppm1 5.217 ppm2 2.345
ASSI { 787}
(( segid " A" and resid 27 and name H3' ))
(( segid " A" and resid 27 and name H2' ))
3.612 0.722 0.722 peak 787 weight 1.00000E+00 volume 3.74000E+06 ppm1 4.934 ppm2 2.141
ASSI { 788}
(( segid " A" and resid 26 and name H2' ))
(( segid " A" and resid 27 and name H2' ))
4.501 0.900 0.900 peak 788 weight 1.00000E+00 volume 1.00000E+06 ppm1 2.715 ppm2 2.142
ASSI { 789}
(( segid " A" and resid 9 and name H2''))
( segid " A" and resid 9 and name H5'*)
3.838 0.768 0.768 peak 789 weight 1.00000E+00 volume 2.60000E+06 ppm1 4.269 ppm2 2.602
ASSI { 790}
(( segid " A" and resid 4 and name H2' ))
(( segid " A" and resid 30 and name H1' ))
4.625 0.925 0.925 peak 790 weight 1.00000E+00 volume 8.49000E+05 ppm1 5.806 ppm2 2.899
ASSI { 791}
(( segid " A" and resid 4 and name H2''))
(( segid " A" and resid 30 and name H1' ))
4.226 0.845 0.845 peak 791 weight 1.00000E+00 volume 1.46000E+06 ppm1 5.806 ppm2 2.818
ASSI { 792}
(( segid " A" and resid 9 and name H1' ))
( segid " A" and resid 10 and name H5# )
5.009 1.002 1.002 peak 792 weight 1.00000E+00 volume 5.26000E+05 ppm1 6.521 ppm2 1.518
ASSI { 793}
( segid " A" and resid 10 and name H5# )
(( segid " A" and resid 10 and name H5' ))
4.570 0.914 0.914 peak 793 weight 1.00000E+00 volume 9.12000E+05 ppm1 4.025 ppm2 1.517
ASSI { 794}
( segid " A" and resid 9 and name H5# )
(( segid " A" and resid 7 and name H3' ))
5.052 1.010 1.010 peak 794 weight 1.00000E+00 volume 5.00000E+05 ppm1 5.266 ppm2 2.094
ASSI { 795}
( segid " A" and resid 9 and name H5# )
(( segid " A" and resid 32 and name H2' ))
5.674 1.135 1.135 peak 795 weight 1.00000E+00 volume 2.49000E+05 ppm1 3.471 ppm2 2.091
ASSI { 796}
( segid " A" and resid 10 and name H5# )
(( segid " A" and resid 6 and name H2' ))
5.203 1.041 1.041 peak 796 weight 1.00000E+00 volume 4.19000E+05 ppm1 2.958 ppm2 1.517
ASSI { 797}
( segid " A" and resid 10 and name H5# )
(( segid " A" and resid 10 and name H2' ))
4.430 0.886 0.886 peak 797 weight 1.00000E+00 volume 1.10000E+06 ppm1 2.604 ppm2 1.517
ASSI { 798}
( segid " A" and resid 10 and name H5# )
(( segid " A" and resid 10 and name H2''))
4.066 0.813 0.813 peak 798 weight 1.00000E+00 volume 1.84000E+06 ppm1 2.453 ppm2 1.516
ASSI { 799}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 29 and name H1' ))
5.973 1.195 1.195 peak 799 weight 1.00000E+00 volume 1.83000E+05 ppm1 7.194 ppm2 5.218
ASSI { 800}
(( segid " A" and resid 30 and name H8 ))
(( segid " A" and resid 29 and name H2' ))
4.671 0.934 0.934 peak 800 weight 1.00000E+00 volume 8.00000E+05 ppm1 7.488 ppm2 2.155
ASSI { 801}
(( segid " A" and resid 32 and name H2''))
(( segid " A" and resid 9 and name H1' ))
4.162 0.832 0.832 peak 801 weight 1.00000E+00 volume 1.60000E+06 ppm1 6.520 ppm2 2.749
ASSI { 802}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 32 and name H2''))
4.501 0.900 0.900 peak 802 weight 1.00000E+00 volume 1.00000E+06 ppm1 6.094 ppm2 2.751
ASSI { 803}
(( segid " A" and resid 30 and name H2' ))
(( segid " A" and resid 30 and name H5' ))
4.478 0.896 0.896 peak 803 weight 1.00000E+00 volume 1.03000E+06 ppm1 3.105 ppm2 2.753
ASSI { 804}
(( segid " A" and resid 32 and name H2' ))
(( segid " A" and resid 32 and name H5' ))
4.501 0.900 0.900 peak 804 weight 1.00000E+00 volume 1.00000E+06 ppm1 4.134 ppm2 3.476
ASSI { 805}
(( segid " A" and resid 32 and name H2''))
(( segid " A" and resid 32 and name H5' ))
4.602 0.920 0.920 peak 805 weight 1.00000E+00 volume 8.75000E+05 ppm1 4.134 ppm2 2.750
ASSI { 806}
( segid " A" and resid 9 and name H5# )
(( segid " A" and resid 32 and name H8 ))
3.649 0.730 0.730 peak 806 weight 1.00000E+00 volume 3.52000E+06 ppm1 7.764 ppm2 2.101
ASSI { 807}
(( segid " A" and resid 9 and name H2' ))
( segid " A" and resid 8 and name H5# )
4.140 0.828 0.828 peak 807 weight 1.00000E+00 volume 1.65000E+06 ppm1 2.662 ppm2 2.057
ASSI { 808}
(( segid " A" and resid 9 and name H2''))
( segid " A" and resid 8 and name H5# )
2.665 0.533 0.533 peak 808 weight 1.00000E+00 volume 2.32000E+07 ppm1 2.597 ppm2 2.057
ASSI { 809}
( segid " A" and resid 9 and name H5# )
(( segid " A" and resid 32 and name H2''))
5.885 1.177 1.177 peak 809 weight 1.00000E+00 volume 2.00000E+05 ppm1 2.751 ppm2 2.100
ASSI { 810}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 31 and name H3' ))
3.809 0.762 0.762 peak 810 weight 1.00000E+00 volume 2.72000E+06 ppm1 7.194 ppm2 4.645
ASSI { 811}
(( segid " A" and resid 30 and name H2 ))
( segid " A" and resid 29 and name H5'*)
3.733 0.747 0.747 peak 811 weight 1.00000E+00 volume 3.07000E+06 ppm1 7.487 ppm2 3.582
ASSI { 812}
(( segid " A" and resid 4 and name H2' ))
(( segid " A" and resid 30 and name H2 ))
3.294 0.659 0.659 peak 812 weight 1.00000E+00 volume 6.50000E+06 ppm1 7.488 ppm2 2.897
ASSI { 813}
(( segid " A" and resid 4 and name H2''))
(( segid " A" and resid 30 and name H2 ))
3.277 0.655 0.655 peak 813 weight 1.00000E+00 volume 6.71000E+06 ppm1 7.488 ppm2 2.821
ASSI { 814}
(( segid " A" and resid 7 and name H3' ))
(( segid " A" and resid 8 and name H3' ))
6.102 1.220 1.220 peak 814 weight 1.00000E+00 volume 1.61000E+05 ppm1 5.266 ppm2 4.954
ASSI { 815}
(( segid " A" and resid 23 and name H1' ))
(( segid " A" and resid 24 and name H4' ))
4.614 0.923 0.923 peak 815 weight 1.00000E+00 volume 8.61000E+05 ppm1 5.641 ppm2 4.451
ASSI { 816}
(( segid " A" and resid 13 and name H4' ))
(( segid " A" and resid 14 and name H4' ))
3.460 0.692 0.692 peak 816 weight 1.00000E+00 volume 4.84000E+06 ppm1 4.369 ppm2 4.122
ASSI { 817}
(( segid " A" and resid 13 and name H5' ))
(( segid " A" and resid 14 and name H2 ))
5.000 1.000 1.000 peak 817 weight 1.00000E+00 volume 5.32000E+05 ppm1 8.034 ppm2 3.645
ASSI { 818}
(( segid " A" and resid 13 and name H5''))
(( segid " A" and resid 14 and name H2 ))
5.017 1.003 1.003 peak 818 weight 1.00000E+00 volume 5.21000E+05 ppm1 8.034 ppm2 3.728
ASSI { 819}
(( segid " A" and resid 16 and name H1' ))
(( segid " A" and resid 15 and name H2 ))
4.669 0.934 0.934 peak 819 weight 1.00000E+00 volume 8.02000E+05 ppm1 7.864 ppm2 5.423
ASSI { 820}
(( segid " A" and resid 18 and name H1' ))
(( segid " A" and resid 17 and name H2 ))
6.202 1.240 1.240 peak 820 weight 1.00000E+00 volume 1.46000E+05 ppm1 7.978 ppm2 5.703
ASSI { 821}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 6 and name H8 ))
5.462 1.092 1.092 peak 821 weight 1.00000E+00 volume 3.13000E+05 ppm1 8.085 ppm2 7.991
ASSI { 822}
(( segid " A" and resid 30 and name H5' ))
(( segid " A" and resid 29 and name H8 ))
6.482 1.296 1.296 peak 822 weight 1.00000E+00 volume 1.12000E+05 ppm1 7.576 ppm2 3.100
ASSI { 823}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 10 and name H6 ))
5.239 1.048 1.048 peak 823 weight 1.00000E+00 volume 4.02000E+05 ppm1 11.737 ppm2 7.523
ASSI { 824}
(( segid " A" and resid 11 and name H1 ))
(( segid " A" and resid 24 and name H8 ))
5.166 1.033 1.033 peak 824 weight 1.00000E+00 volume 4.37000E+05 ppm1 11.775 ppm2 8.203
ASSI { 825}
(( segid " A" and resid 13 and name H1' ))
(( segid " A" and resid 13 and name H3' ))
3.245 0.649 0.649 peak 825 weight 1.00000E+00 volume 7.12000E+06 ppm1 6.199 ppm2 4.848
ASSI { 826}
(( segid " A" and resid 28 and name H1' ))
(( segid " A" and resid 30 and name H2 ))
3.958 0.792 0.792 peak 826 weight 1.00000E+00 volume 2.16000E+06 ppm1 7.494 ppm2 5.512
ASSI { 827}
(( segid " A" and resid 30 and name H2 ))
(( segid " A" and resid 29 and name H4' ))
3.462 0.692 0.692 peak 827 weight 1.00000E+00 volume 4.83000E+06 ppm1 7.488 ppm2 2.347
ASSI { 828}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 1 and name H2' ))
4.670 0.934 0.934 peak 828 weight 1.00000E+00 volume 8.01000E+05 ppm1 7.519 ppm2 2.672
ASSI { 829}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 25 and name H2' ))
5.122 1.024 1.024 peak 829 weight 1.00000E+00 volume 4.60000E+05 ppm1 7.288 ppm2 2.993
ASSI { 830}
(( segid " A" and resid 27 and name H8 ))
(( segid " A" and resid 25 and name H1' ))
5.163 1.033 1.033 peak 830 weight 1.00000E+00 volume 4.39000E+05 ppm1 7.290 ppm2 6.115
ASSI { 831}
(( segid " A" and resid 16 and name H1' ))
(( segid " A" and resid 17 and name H2 ))
6.606 1.321 1.321 peak 831 weight 1.00000E+00 volume 1.00000E+05 ppm1 7.976 ppm2 5.419
ASSI { 832}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 7 and name H4' ))
3.748 0.750 0.750 peak 832 weight 1.00000E+00 volume 3.00000E+06 ppm1 7.988 ppm2 4.457
ASSI { 833}
(( segid " A" and resid 7 and name H8 ))
( segid " A" and resid 6 and name H5'*)
4.671 0.934 0.934 peak 833 weight 1.00000E+00 volume 8.00000E+05 ppm1 7.989 ppm2 4.305
ASSI { 834}
( segid " A" and resid 14 and name H5'*)
(( segid " A" and resid 14 and name H2 ))
5.414 1.083 1.083 peak 834 weight 1.00000E+00 volume 3.30000E+05 ppm1 8.033 ppm2 4.104
ASSI { 835}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 21 and name H2 ))
5.312 1.062 1.062 peak 835 weight 1.00000E+00 volume 3.70000E+05 ppm1 7.939 ppm2 5.606
ASSI { 836}
(( segid " A" and resid 21 and name H8 ))
(( segid " A" and resid 19 and name H1' ))
5.810 1.162 1.162 peak 836 weight 1.00000E+00 volume 2.16000E+05 ppm1 8.113 ppm2 5.775
ASSI { 837}
(( segid " A" and resid 31 and name H8 ))
(( segid " A" and resid 32 and name H8 ))
7.508 1.502 0.492 peak 837 weight 1.00000E+00 volume 4.64000E+04 ppm1 7.195 ppm2 7.770
ASSI { 838}
(( segid " A" and resid 11 and name H1' ))
(( segid " A" and resid 12 and name H1' ))
3.850 0.770 0.770 peak 838 weight 1.00000E+00 volume 2.55000E+06 ppm1 6.082 ppm2 6.257
ASSI { 839}
(( segid " A" and resid 2 and name H1' ))
(( segid " A" and resid 1 and name H1' ))
4.443 0.889 0.889 peak 839 weight 1.00000E+00 volume 1.08000E+06 ppm1 5.869 ppm2 6.224
ASSI { 840}
(( segid " A" and resid 28 and name H1' ))
(( segid " A" and resid 27 and name H1' ))
4.907 0.981 0.981 peak 840 weight 1.00000E+00 volume 5.95000E+05 ppm1 5.518 ppm2 6.015
ASSI { 841}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 19 and name H1' ))
4.574 0.915 0.915 peak 841 weight 1.00000E+00 volume 9.07000E+05 ppm1 5.600 ppm2 5.778
ASSI { 842}
(( segid " A" and resid 22 and name H1' ))
(( segid " A" and resid 23 and name H1' ))
5.045 1.009 1.009 peak 842 weight 1.00000E+00 volume 5.04000E+05 ppm1 5.642 ppm2 5.976
ASSI { 843}
(( segid " A" and resid 20 and name H1' ))
(( segid " A" and resid 21 and name H1' ))
3.838 0.768 0.768 peak 843 weight 1.00000E+00 volume 2.60000E+06 ppm1 5.604 ppm2 5.933
ASSI { 844}
(( segid " A" and resid 28 and name H1' ))
(( segid " A" and resid 30 and name H1' ))
6.253 1.251 1.251 peak 844 weight 1.00000E+00 volume 1.39000E+05 ppm1 5.516 ppm2 5.800
ASSI { 845}
(( segid " A" and resid 16 and name H1' ))
(( segid " A" and resid 15 and name H1' ))
5.321 1.064 1.064 peak 845 weight 1.00000E+00 volume 3.66000E+05 ppm1 5.427 ppm2 5.945
ASSI { 846}
(( segid " A" and resid 16 and name H1' ))
(( segid " A" and resid 17 and name H1' ))
4.016 0.803 0.803 peak 846 weight 1.00000E+00 volume 1.98000E+06 ppm1 5.426 ppm2 6.011
ASSI { 847}
(( segid " A" and resid 31 and name H1' ))
(( segid " A" and resid 13 and name H1' ))
3.023 0.605 0.605 peak 847 weight 1.00000E+00 volume 1.09000E+07 ppm1 5.587 ppm2 6.203
ASSI { 848}
(( segid " A" and resid 23 and name H1' ))
(( segid " A" and resid 24 and name H1' ))
5.121 1.024 1.024 peak 848 weight 1.00000E+00 volume 4.61000E+05 ppm1 5.640 ppm2 6.211
ASSI { 849}
(( segid " A" and resid 4 and name H1' ))
(( segid " A" and resid 30 and name H1' ))
4.811 0.962 0.962 peak 849 weight 1.00000E+00 volume 6.70000E+05 ppm1 5.806 ppm2 6.495
ASSI { 850}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 32 and name H1' ))
3.800 0.760 0.760 peak 850 weight 1.00000E+00 volume 2.76000E+06 ppm1 6.094 ppm2 6.410
ASSI { 851}
(( segid " A" and resid 5 and name H1' ))
(( segid " A" and resid 5 and name H5 ))
4.683 0.937 0.937 peak 851 weight 1.00000E+00 volume 7.88000E+05 ppm1 6.252 ppm2 6.532
ASSI { 852}
(( segid " A" and resid 9 and name H1' ))
(( segid " A" and resid 10 and name H1' ))
4.823 0.965 0.965 peak 852 weight 1.00000E+00 volume 6.60000E+05 ppm1 6.044 ppm2 6.516
ASSI { 853}
(( segid " A" and resid 7 and name H1' ))
( segid " A" and resid 7 and name H5'*)
3.946 0.789 0.789 peak 853 weight 1.00000E+00 volume 2.20000E+06 ppm1 6.101 ppm2 4.313
ASSI { 854}
( segid " A" and resid 2 and name H5'*)
(( segid " A" and resid 2 and name H4' ))
2.432 0.486 0.486 peak 854 weight 1.00000E+00 volume 4.02000E+07 ppm1 4.180 ppm2 4.533
ASSI { 855}
(( segid " A" and resid 30 and name H4' ))
(( segid " A" and resid 29 and name H4' ))
4.073 0.815 0.815 peak 855 weight 1.00000E+00 volume 1.82000E+06 ppm1 4.073 ppm2 2.331
ASSI { 856}
(( segid " A" and resid 10 and name H6 ))
(( segid " A" and resid 1 and name H2 ))
4.926 0.985 0.985 peak 856 weight 1.00000E+00 volume 5.82000E+05 ppm1 7.520 ppm2 7.973
ASSI { 857}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 1 and name H8 ))
5.584 1.117 1.117 peak 857 weight 1.00000E+00 volume 2.74000E+05 ppm1 7.940 ppm2 8.123
ASSI { 858}
(( segid " A" and resid 20 and name H8 ))
(( segid " A" and resid 20 and name H4' ))
3.929 0.786 0.786 peak 858 weight 1.00000E+00 volume 2.26000E+06 ppm1 7.815 ppm2 3.974
ASSI { 859}
(( segid " A" and resid 14 and name H1' ))
(( segid " A" and resid 14 and name H2 ))
5.102 1.020 1.020 peak 859 weight 1.00000E+00 volume 4.71000E+05 ppm1 8.033 ppm2 6.051
ASSI { 860}
(( segid " A" and resid 17 and name H1' ))
(( segid " A" and resid 17 and name H2 ))
4.729 0.946 0.946 peak 860 weight 1.00000E+00 volume 7.43000E+05 ppm1 7.972 ppm2 6.011
ASSI { 861}
(( segid " A" and resid 7 and name H4' ))
(( segid " A" and resid 32 and name H8 ))
4.801 0.960 0.960 peak 861 weight 1.00000E+00 volume 6.79000E+05 ppm1 7.761 ppm2 4.453
ASSI { 862}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 3 and name H5''))
4.652 0.930 0.930 peak 862 weight 1.00000E+00 volume 8.20000E+05 ppm1 7.644 ppm2 4.416
ASSI { 863}
(( segid " A" and resid 24 and name H4' ))
(( segid " A" and resid 14 and name H2 ))
4.820 0.964 0.964 peak 863 weight 1.00000E+00 volume 6.63000E+05 ppm1 8.033 ppm2 4.455
ASSI { 864}
(( segid " A" and resid 24 and name H2''))
(( segid " A" and resid 14 and name H2 ))
3.351 0.670 0.670 peak 864 weight 1.00000E+00 volume 5.87000E+06 ppm1 8.034 ppm2 2.783
ASSI { 865}
(( segid " A" and resid 24 and name H2' ))
(( segid " A" and resid 14 and name H2 ))
3.391 0.678 0.678 peak 865 weight 1.00000E+00 volume 5.47000E+06 ppm1 8.033 ppm2 2.867
ASSI { 866}
(( segid " A" and resid 12 and name H2''))
(( segid " A" and resid 14 and name H2 ))
3.748 0.750 0.750 peak 866 weight 1.00000E+00 volume 3.00000E+06 ppm1 8.034 ppm2 2.550
ASSI { 867}
(( segid " A" and resid 14 and name H2 ))
(( segid " A" and resid 15 and name H2 ))
5.705 1.141 1.141 peak 867 weight 1.00000E+00 volume 2.41000E+05 ppm1 7.863 ppm2 8.041
ASSI { 868}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 15 and name H2''))
2.732 0.546 0.546 peak 868 weight 1.00000E+00 volume 2.00000E+07 ppm1 8.139 ppm2 2.522
ASSI { 869}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 15 and name H2' ))
2.732 0.546 0.546 peak 869 weight 1.00000E+00 volume 2.00000E+07 ppm1 8.139 ppm2 2.581
ASSI { 870}
(( segid " A" and resid 16 and name H8 ))
(( segid " A" and resid 15 and name H2' ))
2.739 0.548 0.548 peak 870 weight 1.00000E+00 volume 1.97000E+07 ppm1 7.788 ppm2 2.582
ASSI { 871}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 15 and name H4' ))
4.501 0.900 0.900 peak 871 weight 1.00000E+00 volume 1.00000E+06 ppm1 8.138 ppm2 4.364
ASSI { 872}
(( segid " A" and resid 32 and name H1' ))
( segid " A" and resid 9 and name H5'*)
5.108 1.022 1.022 peak 872 weight 1.00000E+00 volume 4.68000E+05 ppm1 6.410 ppm2 4.276
ASSI { 873}
(( segid " A" and resid 30 and name H8 ))
(( segid " A" and resid 29 and name H2''))
4.671 0.934 0.934 peak 873 weight 1.00000E+00 volume 8.00000E+05 ppm1 7.487 ppm2 1.993
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