NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
643433 |
6t51   |
27173 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: 22RT_310K_noligang_restrains.tbl
ASSI { 1}
(( segid " A" and resid 1 and name H8 ))
(( segid " A" and resid 1 and name H1' ))
2.987 0.747 0.747 peak 1 weight 1.00000E+00 volume 4.60000E+07 ppm1 7.943 ppm2 5.984
ASSI { 2}
(( segid " A" and resid 1 and name H1' ))
(( segid " A" and resid 2 and name H8 ))
3.573 0.893 0.893 peak 2 weight 1.00000E+00 volume 1.57000E+07 ppm1 8.051 ppm2 5.991
ASSI { 3}
(( segid " A" and resid 18 and name H1 ))
(( segid " A" and resid 1 and name H2' ))
4.270 1.067 1.067 peak 3 weight 1.00000E+00 volume 5.39000E+06 ppm1 11.484 ppm2 2.644
ASSI { 4}
(( segid " A" and resid 1 and name H1' ))
(( segid " A" and resid 1 and name H2''))
2.496 0.624 0.624 peak 4 weight 1.00000E+00 volume 1.35000E+08 ppm1 5.978 ppm2 2.504
ASSI { 5}
(( segid " A" and resid 1 and name H2' ))
(( segid " A" and resid 1 and name H2''))
2.036 0.316 0.509 peak 5 weight 1.00000E+00 volume 4.58000E+08 ppm1 2.645 ppm2 2.519
ASSI { 6}
(( segid " A" and resid 18 and name H1 ))
(( segid " A" and resid 1 and name H2''))
4.321 1.080 1.080 peak 6 weight 1.00000E+00 volume 5.02000E+06 ppm1 11.483 ppm2 2.509
ASSI { 7}
(( segid " A" and resid 1 and name H8 ))
(( segid " A" and resid 1 and name H3' ))
3.214 0.804 0.804 peak 7 weight 1.00000E+00 volume 2.96000E+07 ppm1 7.943 ppm2 4.864
ASSI { 8}
(( segid " A" and resid 1 and name H8 ))
(( segid " A" and resid 1 and name H4' ))
3.207 0.802 0.802 peak 8 weight 1.00000E+00 volume 3.00000E+07 ppm1 7.926 ppm2 4.140
ASSI { 9}
(( segid " A" and resid 1 and name H8 ))
( segid " A" and resid 1 and name H5'*)
3.573 0.893 0.893 peak 9 weight 1.00000E+00 volume 1.57000E+07 ppm1 7.943 ppm2 3.700
ASSI { 10}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 2 and name H1' ))
2.966 0.741 0.741 peak 10 weight 1.00000E+00 volume 4.80000E+07 ppm1 8.051 ppm2 6.096
ASSI { 11}
(( segid " A" and resid 2 and name H1' ))
(( segid " A" and resid 3 and name H8 ))
2.946 0.736 0.736 peak 11 weight 1.00000E+00 volume 5.00000E+07 ppm1 7.611 ppm2 6.092
ASSI { 12}
(( segid " A" and resid 2 and name H3' ))
(( segid " A" and resid 2 and name H2' ))
2.599 0.650 0.650 peak 12 weight 1.00000E+00 volume 1.06000E+08 ppm1 5.061 ppm2 3.031
ASSI { 13}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 2 and name H2' ))
2.583 0.646 0.646 peak 13 weight 1.00000E+00 volume 1.10000E+08 ppm1 8.051 ppm2 3.033
ASSI { 14}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 2 and name H2' ))
2.844 0.711 0.711 peak 14 weight 1.00000E+00 volume 6.17000E+07 ppm1 7.610 ppm2 3.032
ASSI { 15}
(( segid " A" and resid 2 and name H3' ))
(( segid " A" and resid 2 and name H2''))
2.515 0.629 0.629 peak 15 weight 1.00000E+00 volume 1.29000E+08 ppm1 5.061 ppm2 2.787
ASSI { 16}
(( segid " A" and resid 2 and name H2''))
(( segid " A" and resid 2 and name H4' ))
3.742 0.935 0.935 peak 16 weight 1.00000E+00 volume 1.19000E+07 ppm1 4.498 ppm2 2.777
ASSI { 17}
(( segid " A" and resid 2 and name H2''))
( segid " A" and resid 2 and name H5'*)
3.774 0.944 0.944 peak 17 weight 1.00000E+00 volume 1.13000E+07 ppm1 4.170 ppm2 2.773
ASSI { 18}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 2 and name H2''))
2.671 0.668 0.668 peak 18 weight 1.00000E+00 volume 9.00000E+07 ppm1 8.051 ppm2 2.786
ASSI { 19}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 2 and name H2''))
2.833 0.708 0.708 peak 19 weight 1.00000E+00 volume 6.31000E+07 ppm1 7.611 ppm2 2.795
ASSI { 20}
(( segid " A" and resid 2 and name H1' ))
(( segid " A" and resid 2 and name H3' ))
3.053 0.763 0.763 peak 20 weight 1.00000E+00 volume 4.03000E+07 ppm1 6.093 ppm2 5.070
ASSI { 21}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 2 and name H3' ))
2.984 0.746 0.746 peak 21 weight 1.00000E+00 volume 4.63000E+07 ppm1 8.051 ppm2 5.064
ASSI { 22}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 2 and name H3' ))
3.502 0.876 0.876 peak 22 weight 1.00000E+00 volume 1.77000E+07 ppm1 7.610 ppm2 5.062
ASSI { 23}
(( segid " A" and resid 2 and name H3' ))
(( segid " A" and resid 2 and name H4' ))
2.502 0.626 0.626 peak 23 weight 1.00000E+00 volume 1.33000E+08 ppm1 5.061 ppm2 4.486
ASSI { 24}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 2 and name H4' ))
3.502 0.876 0.876 peak 24 weight 1.00000E+00 volume 1.77000E+07 ppm1 8.051 ppm2 4.493
ASSI { 25}
(( segid " A" and resid 2 and name H3' ))
( segid " A" and resid 2 and name H5'*)
2.407 0.602 0.602 peak 25 weight 1.00000E+00 volume 1.68000E+08 ppm1 5.060 ppm2 4.173
ASSI { 26}
(( segid " A" and resid 2 and name H8 ))
( segid " A" and resid 2 and name H5'*)
3.001 0.750 0.750 peak 26 weight 1.00000E+00 volume 4.47000E+07 ppm1 8.051 ppm2 4.163
ASSI { 27}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 18 and name H1 ))
4.206 1.051 1.051 peak 27 weight 1.00000E+00 volume 5.90000E+06 ppm1 11.484 ppm2 8.056
ASSI { 28}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 3 and name H1 ))
3.878 0.970 0.970 peak 28 weight 1.00000E+00 volume 9.60000E+06 ppm1 11.715 ppm2 11.222
ASSI { 29}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 6 and name H1 ))
4.697 1.174 1.174 peak 29 weight 1.00000E+00 volume 3.04000E+06 ppm1 11.912 ppm2 11.221
ASSI { 30}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H1' ))
3.375 0.844 0.844 peak 30 weight 1.00000E+00 volume 2.21000E+07 ppm1 7.611 ppm2 6.176
ASSI { 31}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 4 and name H8 ))
3.060 0.765 0.765 peak 31 weight 1.00000E+00 volume 3.98000E+07 ppm1 7.729 ppm2 6.166
ASSI { 32}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H2' ))
2.649 0.662 0.662 peak 32 weight 1.00000E+00 volume 9.45000E+07 ppm1 6.158 ppm2 2.925
ASSI { 33}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H2' ))
3.090 0.773 0.773 peak 33 weight 1.00000E+00 volume 3.75000E+07 ppm1 7.610 ppm2 2.922
ASSI { 34}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H2''))
2.553 0.638 0.638 peak 34 weight 1.00000E+00 volume 1.18000E+08 ppm1 6.154 ppm2 2.519
ASSI { 35}
(( segid " A" and resid 3 and name H2' ))
(( segid " A" and resid 3 and name H2''))
2.356 0.589 0.589 peak 35 weight 1.00000E+00 volume 1.91000E+08 ppm1 2.926 ppm2 2.525
ASSI { 36}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H2''))
2.939 0.735 0.735 peak 36 weight 1.00000E+00 volume 5.07000E+07 ppm1 7.610 ppm2 2.525
ASSI { 37}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 3 and name H3' ))
2.929 0.732 0.732 peak 37 weight 1.00000E+00 volume 5.17000E+07 ppm1 6.155 ppm2 4.969
ASSI { 38}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H3' ))
3.133 0.783 0.783 peak 38 weight 1.00000E+00 volume 3.45000E+07 ppm1 7.610 ppm2 4.966
ASSI { 39}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 3 and name H3' ))
3.852 0.963 0.963 peak 39 weight 1.00000E+00 volume 1.00000E+07 ppm1 7.729 ppm2 4.958
ASSI { 40}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H4' ))
3.533 0.883 0.883 peak 40 weight 1.00000E+00 volume 1.68000E+07 ppm1 7.610 ppm2 4.566
ASSI { 41}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H5' ))
3.209 0.802 0.802 peak 41 weight 1.00000E+00 volume 2.99000E+07 ppm1 7.610 ppm2 4.241
ASSI { 42}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 3 and name H5''))
3.227 0.807 0.807 peak 42 weight 1.00000E+00 volume 2.89000E+07 ppm1 7.610 ppm2 4.344
ASSI { 43}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 20 and name H1 ))
4.255 1.064 1.064 peak 43 weight 1.00000E+00 volume 5.50000E+06 ppm1 10.880 ppm2 7.587
ASSI { 44}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 4 and name H1' ))
2.946 0.736 0.736 peak 44 weight 1.00000E+00 volume 5.00000E+07 ppm1 7.728 ppm2 6.325
ASSI { 45}
(( segid " A" and resid 4 and name H1' ))
( segid " A" and resid 4 and name H2'*)
2.535 0.634 0.634 peak 45 weight 1.00000E+00 volume 1.23000E+08 ppm1 6.340 ppm2 2.787
ASSI { 46}
(( segid " A" and resid 4 and name H8 ))
( segid " A" and resid 4 and name H2'*)
2.373 0.593 0.593 peak 46 weight 1.00000E+00 volume 1.83000E+08 ppm1 7.726 ppm2 2.781
ASSI { 47}
(( segid " A" and resid 4 and name H1' ))
(( segid " A" and resid 4 and name H3' ))
3.057 0.764 0.764 peak 47 weight 1.00000E+00 volume 4.00000E+07 ppm1 6.339 ppm2 5.185
ASSI { 48}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 4 and name H3' ))
2.984 0.746 0.746 peak 48 weight 1.00000E+00 volume 4.63000E+07 ppm1 7.729 ppm2 5.175
ASSI { 49}
(( segid " A" and resid 4 and name H3' ))
(( segid " A" and resid 4 and name H4' ))
2.743 0.686 0.686 peak 49 weight 1.00000E+00 volume 7.67000E+07 ppm1 5.171 ppm2 4.690
ASSI { 50}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 4 and name H4' ))
3.246 0.812 0.812 peak 50 weight 1.00000E+00 volume 2.79000E+07 ppm1 7.729 ppm2 4.704
ASSI { 51}
(( segid " A" and resid 3 and name H1' ))
(( segid " A" and resid 4 and name H5' ))
3.852 0.963 0.963 peak 51 weight 1.00000E+00 volume 1.00000E+07 ppm1 6.152 ppm2 4.384
ASSI { 52}
(( segid " A" and resid 4 and name H3' ))
(( segid " A" and resid 4 and name H5''))
2.481 0.620 0.620 peak 52 weight 1.00000E+00 volume 1.40000E+08 ppm1 5.174 ppm2 4.355
ASSI { 53}
(( segid " A" and resid 5 and name H6 ))
(( segid " A" and resid 5 and name H1' ))
3.483 0.871 0.871 peak 53 weight 1.00000E+00 volume 1.83000E+07 ppm1 8.086 ppm2 6.532
ASSI { 54}
(( segid " A" and resid 5 and name H1' ))
(( segid " A" and resid 5 and name H2' ))
2.506 0.626 0.626 peak 54 weight 1.00000E+00 volume 1.32000E+08 ppm1 6.534 ppm2 2.792
ASSI { 55}
(( segid " A" and resid 5 and name H2' ))
(( segid " A" and resid 6 and name H5' ))
2.338 0.584 0.584 peak 55 weight 1.00000E+00 volume 2.00000E+08 ppm1 4.266 ppm2 2.763
ASSI { 56}
(( segid " A" and resid 5 and name H1' ))
(( segid " A" and resid 5 and name H2''))
2.729 0.682 0.682 peak 56 weight 1.00000E+00 volume 7.90000E+07 ppm1 6.534 ppm2 2.455
ASSI { 57}
(( segid " A" and resid 5 and name H2' ))
(( segid " A" and resid 5 and name H2''))
2.030 0.310 0.507 peak 57 weight 1.00000E+00 volume 4.67000E+08 ppm1 2.792 ppm2 2.459
ASSI { 58}
(( segid " A" and resid 5 and name H2''))
(( segid " A" and resid 5 and name H3' ))
2.682 0.671 0.671 peak 58 weight 1.00000E+00 volume 8.77000E+07 ppm1 5.139 ppm2 2.450
ASSI { 59}
(( segid " A" and resid 5 and name H2''))
(( segid " A" and resid 5 and name H5' ))
3.126 0.781 0.781 peak 59 weight 1.00000E+00 volume 3.50000E+07 ppm1 4.427 ppm2 2.460
ASSI { 60}
(( segid " A" and resid 5 and name H6 ))
(( segid " A" and resid 5 and name H2''))
2.542 0.636 0.636 peak 60 weight 1.00000E+00 volume 1.21000E+08 ppm1 8.086 ppm2 2.452
ASSI { 61}
(( segid " A" and resid 5 and name H1' ))
(( segid " A" and resid 5 and name H3' ))
3.509 0.877 0.877 peak 61 weight 1.00000E+00 volume 1.75000E+07 ppm1 6.533 ppm2 5.139
ASSI { 62}
(( segid " A" and resid 5 and name H6 ))
(( segid " A" and resid 5 and name H3' ))
3.067 0.767 0.767 peak 62 weight 1.00000E+00 volume 3.92000E+07 ppm1 8.087 ppm2 5.140
ASSI { 63}
(( segid " A" and resid 5 and name H1' ))
(( segid " A" and resid 5 and name H4' ))
2.952 0.738 0.738 peak 63 weight 1.00000E+00 volume 4.93000E+07 ppm1 6.533 ppm2 4.683
ASSI { 64}
(( segid " A" and resid 5 and name H3' ))
(( segid " A" and resid 5 and name H4' ))
2.472 0.618 0.618 peak 64 weight 1.00000E+00 volume 1.43000E+08 ppm1 5.140 ppm2 4.674
ASSI { 65}
(( segid " A" and resid 5 and name H6 ))
(( segid " A" and resid 5 and name H4' ))
3.248 0.812 0.812 peak 65 weight 1.00000E+00 volume 2.78000E+07 ppm1 8.087 ppm2 4.675
ASSI { 66}
(( segid " A" and resid 5 and name H6 ))
(( segid " A" and resid 5 and name H5 ))
2.518 0.630 0.630 peak 66 weight 1.00000E+00 volume 1.28000E+08 ppm1 8.086 ppm2 6.248
ASSI { 67}
(( segid " A" and resid 5 and name H1' ))
(( segid " A" and resid 5 and name H5' ))
3.038 0.760 0.760 peak 67 weight 1.00000E+00 volume 4.15000E+07 ppm1 6.532 ppm2 4.416
ASSI { 68}
(( segid " A" and resid 5 and name H6 ))
(( segid " A" and resid 5 and name H5' ))
3.019 0.755 0.755 peak 68 weight 1.00000E+00 volume 4.31000E+07 ppm1 8.087 ppm2 4.432
ASSI { 69}
(( segid " A" and resid 5 and name H1' ))
(( segid " A" and resid 5 and name H5''))
3.082 0.771 0.771 peak 69 weight 1.00000E+00 volume 3.81000E+07 ppm1 6.531 ppm2 4.330
ASSI { 70}
(( segid " A" and resid 6 and name H8 ))
(( segid " A" and resid 6 and name H1' ))
2.962 0.740 0.740 peak 70 weight 1.00000E+00 volume 4.84000E+07 ppm1 8.115 ppm2 6.242
ASSI { 71}
(( segid " A" and resid 6 and name H1' ))
(( segid " A" and resid 6 and name H2' ))
2.656 0.664 0.664 peak 71 weight 1.00000E+00 volume 9.30000E+07 ppm1 6.242 ppm2 3.003
ASSI { 72}
(( segid " A" and resid 6 and name H2' ))
(( segid " A" and resid 6 and name H3' ))
2.641 0.660 0.660 peak 72 weight 1.00000E+00 volume 9.62000E+07 ppm1 5.240 ppm2 3.011
ASSI { 73}
(( segid " A" and resid 6 and name H5''))
(( segid " A" and resid 6 and name H2' ))
3.600 0.900 0.900 peak 73 weight 1.00000E+00 volume 1.50000E+07 ppm1 4.376 ppm2 3.017
ASSI { 74}
(( segid " A" and resid 6 and name H8 ))
(( segid " A" and resid 6 and name H2' ))
2.887 0.722 0.722 peak 74 weight 1.00000E+00 volume 5.64000E+07 ppm1 8.116 ppm2 3.002
ASSI { 75}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 6 and name H2''))
3.906 0.977 0.977 peak 75 weight 1.00000E+00 volume 9.19000E+06 ppm1 11.214 ppm2 2.481
ASSI { 76}
(( segid " A" and resid 6 and name H1' ))
(( segid " A" and resid 6 and name H2''))
2.525 0.631 0.631 peak 76 weight 1.00000E+00 volume 1.26000E+08 ppm1 6.242 ppm2 2.466
ASSI { 77}
(( segid " A" and resid 6 and name H2' ))
(( segid " A" and resid 6 and name H2''))
2.381 0.595 0.595 peak 77 weight 1.00000E+00 volume 1.79000E+08 ppm1 3.004 ppm2 2.471
ASSI { 78}
(( segid " A" and resid 6 and name H2''))
(( segid " A" and resid 6 and name H3' ))
2.685 0.671 0.671 peak 78 weight 1.00000E+00 volume 8.72000E+07 ppm1 5.241 ppm2 2.467
ASSI { 79}
(( segid " A" and resid 6 and name H2''))
(( segid " A" and resid 6 and name H4' ))
3.515 0.879 0.879 peak 79 weight 1.00000E+00 volume 1.73000E+07 ppm1 4.517 ppm2 2.473
ASSI { 80}
(( segid " A" and resid 6 and name H5''))
(( segid " A" and resid 6 and name H2''))
3.306 0.827 0.827 peak 80 weight 1.00000E+00 volume 2.50000E+07 ppm1 4.361 ppm2 2.477
ASSI { 81}
(( segid " A" and resid 6 and name H8 ))
(( segid " A" and resid 6 and name H2''))
2.946 0.736 0.736 peak 81 weight 1.00000E+00 volume 5.00000E+07 ppm1 8.116 ppm2 2.500
ASSI { 82}
(( segid " A" and resid 6 and name H1' ))
(( segid " A" and resid 6 and name H3' ))
3.100 0.775 0.775 peak 82 weight 1.00000E+00 volume 3.68000E+07 ppm1 6.242 ppm2 5.243
ASSI { 83}
(( segid " A" and resid 6 and name H8 ))
(( segid " A" and resid 6 and name H3' ))
3.246 0.812 0.812 peak 83 weight 1.00000E+00 volume 2.79000E+07 ppm1 8.115 ppm2 5.240
ASSI { 84}
(( segid " A" and resid 6 and name H1' ))
(( segid " A" and resid 6 and name H4' ))
3.086 0.772 0.772 peak 84 weight 1.00000E+00 volume 3.78000E+07 ppm1 6.240 ppm2 4.510
ASSI { 85}
(( segid " A" and resid 6 and name H8 ))
(( segid " A" and resid 6 and name H4' ))
3.173 0.793 0.793 peak 85 weight 1.00000E+00 volume 3.20000E+07 ppm1 8.117 ppm2 4.511
ASSI { 86}
(( segid " A" and resid 6 and name H5' ))
(( segid " A" and resid 6 and name H1' ))
3.136 0.784 0.784 peak 86 weight 1.00000E+00 volume 3.43000E+07 ppm1 6.240 ppm2 4.287
ASSI { 87}
(( segid " A" and resid 6 and name H5' ))
(( segid " A" and resid 6 and name H3' ))
2.809 0.702 0.702 peak 87 weight 1.00000E+00 volume 6.65000E+07 ppm1 5.240 ppm2 4.264
ASSI { 88}
(( segid " A" and resid 6 and name H5' ))
(( segid " A" and resid 6 and name H4' ))
2.317 0.579 0.579 peak 88 weight 1.00000E+00 volume 2.11000E+08 ppm1 4.524 ppm2 4.294
ASSI { 89}
(( segid " A" and resid 6 and name H5' ))
(( segid " A" and resid 6 and name H8 ))
2.946 0.736 0.736 peak 89 weight 1.00000E+00 volume 5.00000E+07 ppm1 8.119 ppm2 4.287
ASSI { 90}
(( segid " A" and resid 6 and name H5''))
(( segid " A" and resid 6 and name H3' ))
2.946 0.736 0.736 peak 90 weight 1.00000E+00 volume 5.00000E+07 ppm1 5.238 ppm2 4.336
ASSI { 91}
(( segid " A" and resid 6 and name H5''))
(( segid " A" and resid 6 and name H8 ))
2.881 0.720 0.720 peak 91 weight 1.00000E+00 volume 5.71000E+07 ppm1 8.117 ppm2 4.355
ASSI { 92}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 6 and name H8 ))
4.532 1.133 1.133 peak 92 weight 1.00000E+00 volume 3.77000E+06 ppm1 11.715 ppm2 8.115
ASSI { 93}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 7 and name H1 ))
4.657 1.164 1.164 peak 93 weight 1.00000E+00 volume 3.20000E+06 ppm1 11.716 ppm2 11.345
ASSI { 94}
(( segid " A" and resid 6 and name H1 ))
(( segid " A" and resid 7 and name H1 ))
3.721 0.930 0.930 peak 94 weight 1.00000E+00 volume 1.23000E+07 ppm1 11.914 ppm2 11.342
ASSI { 95}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 19 and name H1 ))
4.016 1.004 1.004 peak 95 weight 1.00000E+00 volume 7.78000E+06 ppm1 11.523 ppm2 11.362
ASSI { 96}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 7 and name H1' ))
3.195 0.799 0.799 peak 96 weight 1.00000E+00 volume 3.07000E+07 ppm1 8.018 ppm2 6.335
ASSI { 97}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 7 and name H2' ))
2.556 0.639 0.639 peak 97 weight 1.00000E+00 volume 1.17000E+08 ppm1 6.330 ppm2 2.899
ASSI { 98}
(( segid " A" and resid 7 and name H2' ))
(( segid " A" and resid 7 and name H3' ))
2.785 0.696 0.696 peak 98 weight 1.00000E+00 volume 7.00000E+07 ppm1 5.230 ppm2 2.901
ASSI { 99}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 7 and name H2' ))
2.786 0.697 0.697 peak 99 weight 1.00000E+00 volume 6.98000E+07 ppm1 8.019 ppm2 2.903
ASSI { 100}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 7 and name H2''))
2.528 0.632 0.632 peak 100 weight 1.00000E+00 volume 1.25000E+08 ppm1 6.332 ppm2 2.759
ASSI { 101}
(( segid " A" and resid 7 and name H2''))
(( segid " A" and resid 7 and name H3' ))
2.560 0.640 0.640 peak 101 weight 1.00000E+00 volume 1.16000E+08 ppm1 5.229 ppm2 2.761
ASSI { 102}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 7 and name H3' ))
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ASSI { 103}
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ASSI { 104}
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ASSI { 105}
(( segid " A" and resid 10 and name H1' ))
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ASSI { 106}
(( segid " A" and resid 10 and name H2' ))
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ASSI { 107}
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ASSI { 108}
(( segid " A" and resid 10 and name H1' ))
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ASSI { 109}
(( segid " A" and resid 10 and name H2' ))
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ASSI { 110}
(( segid " A" and resid 10 and name H2''))
(( segid " A" and resid 10 and name H3' ))
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ASSI { 111}
(( segid " A" and resid 10 and name H6 ))
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ASSI { 112}
(( segid " A" and resid 10 and name H1' ))
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ASSI { 113}
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ASSI { 114}
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ASSI { 115}
(( segid " A" and resid 10 and name H3' ))
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ASSI { 116}
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ASSI { 117}
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ASSI { 118}
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ASSI { 119}
(( segid " A" and resid 10 and name H1' ))
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ASSI { 120}
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ASSI { 121}
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ASSI { 122}
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ASSI { 123}
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(( segid " A" and resid 10 and name H5''))
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ASSI { 124}
(( segid " A" and resid 10 and name H6 ))
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ASSI { 125}
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ASSI { 126}
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(( segid " A" and resid 9 and name H8 ))
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ASSI { 127}
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ASSI { 128}
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(( segid " A" and resid 9 and name H3' ))
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ASSI { 129}
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ASSI { 130}
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(( segid " A" and resid 9 and name H2''))
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ASSI { 131}
(( segid " A" and resid 9 and name H2' ))
(( segid " A" and resid 9 and name H2''))
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ASSI { 132}
(( segid " A" and resid 9 and name H2''))
(( segid " A" and resid 9 and name H3' ))
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ASSI { 133}
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(( segid " A" and resid 9 and name H2''))
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ASSI { 134}
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ASSI { 135}
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ASSI { 136}
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ASSI { 137}
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ASSI { 138}
(( segid " A" and resid 9 and name H8 ))
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ASSI { 139}
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(( segid " A" and resid 9 and name H5''))
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ASSI { 140}
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(( segid " A" and resid 9 and name H5''))
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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}
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(( segid " A" and resid 8 and name H2''))
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ASSI { 146}
(( segid " A" and resid 8 and name H2''))
(( segid " A" and resid 8 and name H5' ))
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ASSI { 147}
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(( segid " A" and resid 8 and name H2''))
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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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(( segid " A" and resid 8 and name H5''))
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ASSI { 154}
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ASSI { 155}
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ASSI { 156}
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ASSI { 157}
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(( segid " A" and resid 11 and name H1' ))
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ASSI { 158}
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ASSI { 159}
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ASSI { 160}
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ASSI { 161}
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ASSI { 162}
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ASSI { 163}
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ASSI { 164}
(( segid " A" and resid 11 and name H8 ))
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ASSI { 165}
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ASSI { 166}
(( segid " A" and resid 11 and name H8 ))
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ASSI { 167}
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ASSI { 168}
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ASSI { 169}
(( segid " A" and resid 11 and name H8 ))
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ASSI { 170}
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( segid " A" and resid 11 and name H5'*)
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ASSI { 171}
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( segid " A" and resid 11 and name H5'*)
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ASSI { 172}
(( segid " A" and resid 11 and name H8 ))
( segid " A" and resid 11 and name H5'*)
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ASSI { 173}
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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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ASSI { 179}
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(( segid " A" and resid 12 and name H2''))
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ASSI { 180}
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ASSI { 181}
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(( segid " A" and resid 12 and name H2''))
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ASSI { 182}
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ASSI { 183}
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ASSI { 184}
(( segid " A" and resid 12 and name H8 ))
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ASSI { 185}
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ASSI { 186}
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(( segid " A" and resid 12 and name H5' ))
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ASSI { 187}
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ASSI { 188}
(( segid " A" and resid 12 and name H1 ))
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ASSI { 189}
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(( segid " A" and resid 13 and name H1' ))
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ASSI { 190}
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(( segid " A" and resid 13 and name H2' ))
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ASSI { 191}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H2' ))
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ASSI { 192}
(( segid " A" and resid 13 and name H1' ))
(( segid " A" and resid 13 and name H2''))
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ASSI { 193}
(( segid " A" and resid 13 and name H2''))
(( segid " A" and resid 13 and name H4' ))
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ASSI { 194}
(( segid " A" and resid 13 and name H5''))
(( segid " A" and resid 13 and name H2''))
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ASSI { 195}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H2''))
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ASSI { 196}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H3' ))
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ASSI { 197}
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(( segid " A" and resid 13 and name H4' ))
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ASSI { 198}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H4' ))
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ASSI { 199}
(( segid " A" and resid 13 and name H4' ))
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ASSI { 200}
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(( segid " A" and resid 13 and name H4' ))
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ASSI { 201}
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(( segid " A" and resid 13 and name H5' ))
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ASSI { 202}
(( segid " A" and resid 13 and name H8 ))
(( segid " A" and resid 13 and name H5' ))
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ASSI { 203}
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(( segid " A" and resid 13 and name H5''))
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ASSI { 204}
(( segid " A" and resid 13 and name H8 ))
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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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(( segid " A" and resid 15 and name H8 ))
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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}
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ASSI { 257}
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ASSI { 258}
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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}
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ASSI { 269}
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ASSI { 270}
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ASSI { 271}
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ASSI { 272}
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ASSI { 273}
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ASSI { 274}
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ASSI { 275}
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ASSI { 276}
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( segid " A" and resid 18 and name H5'*)
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ASSI { 277}
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ASSI { 278}
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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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ASSI { 283}
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ASSI { 284}
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ASSI { 285}
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ASSI { 286}
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ASSI { 287}
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ASSI { 288}
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ASSI { 289}
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ASSI { 290}
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ASSI { 291}
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ASSI { 292}
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ASSI { 293}
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ASSI { 294}
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ASSI { 295}
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ASSI { 296}
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ASSI { 297}
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ASSI { 298}
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ASSI { 299}
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ASSI { 300}
(( segid " A" and resid 20 and name H8 ))
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ASSI { 301}
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(( segid " A" and resid 20 and name H5' ))
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ASSI { 302}
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(( segid " A" and resid 20 and name H5''))
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ASSI { 303}
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ASSI { 304}
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ASSI { 305}
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ASSI { 306}
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ASSI { 307}
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( segid " A" and resid 21 and name H5'*)
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ASSI { 308}
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2.442 0.610 0.610 peak 308 weight 1.00000E+00 volume 1.54000E+08 ppm1 7.851 ppm2 2.531
ASSI { 309}
(( segid " A" and resid 21 and name H1' ))
(( segid " A" and resid 21 and name H2''))
2.722 0.680 0.680 peak 309 weight 1.00000E+00 volume 8.03000E+07 ppm1 6.006 ppm2 2.380
ASSI { 310}
(( segid " A" and resid 21 and name H2' ))
(( segid " A" and resid 21 and name H2''))
2.144 0.424 0.536 peak 310 weight 1.00000E+00 volume 3.36000E+08 ppm1 2.532 ppm2 2.405
ASSI { 311}
(( segid " A" and resid 21 and name H8 ))
(( segid " A" and resid 21 and name H2''))
2.542 0.636 0.636 peak 311 weight 1.00000E+00 volume 1.21000E+08 ppm1 7.852 ppm2 2.385
ASSI { 312}
(( segid " A" and resid 21 and name H1' ))
(( segid " A" and resid 21 and name H3' ))
3.149 0.787 0.787 peak 312 weight 1.00000E+00 volume 3.35000E+07 ppm1 6.004 ppm2 4.866
ASSI { 313}
(( segid " A" and resid 21 and name H8 ))
(( segid " A" and resid 21 and name H3' ))
3.121 0.780 0.780 peak 313 weight 1.00000E+00 volume 3.53000E+07 ppm1 7.852 ppm2 4.863
ASSI { 314}
(( segid " A" and resid 21 and name H1' ))
(( segid " A" and resid 21 and name H4' ))
2.069 0.349 0.517 peak 314 weight 1.00000E+00 volume 4.16000E+08 ppm1 6.007 ppm2 4.332
ASSI { 315}
(( segid " A" and resid 21 and name H8 ))
(( segid " A" and resid 21 and name H4' ))
3.852 0.963 0.963 peak 315 weight 1.00000E+00 volume 1.00000E+07 ppm1 7.852 ppm2 4.328
ASSI { 316}
(( segid " A" and resid 21 and name H4' ))
(( segid " A" and resid 22 and name H4' ))
3.147 0.787 0.787 peak 316 weight 1.00000E+00 volume 3.36000E+07 ppm1 4.570 ppm2 4.342
ASSI { 317}
(( segid " A" and resid 21 and name H1' ))
( segid " A" and resid 21 and name H5'*)
3.123 0.781 0.781 peak 317 weight 1.00000E+00 volume 3.52000E+07 ppm1 5.997 ppm2 4.148
ASSI { 318}
(( segid " A" and resid 21 and name H8 ))
( segid " A" and resid 21 and name H5'*)
3.197 0.799 0.799 peak 318 weight 1.00000E+00 volume 3.06000E+07 ppm1 7.852 ppm2 4.168
ASSI { 319}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 22 and name H1' ))
3.620 0.905 0.905 peak 319 weight 1.00000E+00 volume 1.45000E+07 ppm1 7.993 ppm2 6.098
ASSI { 320}
(( segid " A" and resid 22 and name H1' ))
(( segid " A" and resid 22 and name H2' ))
2.711 0.678 0.678 peak 320 weight 1.00000E+00 volume 8.23000E+07 ppm1 6.093 ppm2 2.483
ASSI { 321}
(( segid " A" and resid 22 and name H4' ))
(( segid " A" and resid 22 and name H2' ))
3.612 0.903 0.903 peak 321 weight 1.00000E+00 volume 1.47000E+07 ppm1 4.585 ppm2 2.478
ASSI { 322}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 22 and name H2' ))
2.499 0.625 0.625 peak 322 weight 1.00000E+00 volume 1.34000E+08 ppm1 7.992 ppm2 2.478
ASSI { 323}
(( segid " A" and resid 22 and name H1' ))
(( segid " A" and resid 22 and name H2''))
2.400 0.600 0.600 peak 323 weight 1.00000E+00 volume 1.71000E+08 ppm1 6.088 ppm2 2.352
ASSI { 324}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 22 and name H2''))
2.890 0.723 0.723 peak 324 weight 1.00000E+00 volume 5.60000E+07 ppm1 7.993 ppm2 2.368
ASSI { 325}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 22 and name H3' ))
3.716 0.929 0.929 peak 325 weight 1.00000E+00 volume 1.24000E+07 ppm1 7.992 ppm2 4.884
ASSI { 326}
(( segid " A" and resid 22 and name H4' ))
(( segid " A" and resid 22 and name H8 ))
3.432 0.858 0.858 peak 326 weight 1.00000E+00 volume 2.00000E+07 ppm1 7.992 ppm2 4.587
ASSI { 327}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 22 and name H5' ))
3.458 0.864 0.864 peak 327 weight 1.00000E+00 volume 1.91000E+07 ppm1 7.993 ppm2 4.082
ASSI { 328}
(( segid " A" and resid 22 and name H8 ))
(( segid " A" and resid 22 and name H5''))
3.692 0.923 0.923 peak 328 weight 1.00000E+00 volume 1.29000E+07 ppm1 7.992 ppm2 4.149
ASSI { 329}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 11 and name H1 ))
4.554 1.139 1.139 peak 329 weight 1.00000E+00 volume 3.66000E+06 ppm1 11.951 ppm2 11.346
ASSI { 330}
(( segid " A" and resid 3 and name H8 ))
(( segid " A" and resid 19 and name H1 ))
3.998 0.999 0.999 peak 330 weight 1.00000E+00 volume 8.00000E+06 ppm1 11.357 ppm2 7.612
ASSI { 331}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 19 and name H1 ))
4.186 1.046 1.046 peak 331 weight 1.00000E+00 volume 6.07000E+06 ppm1 11.356 ppm2 8.053
ASSI { 332}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 11 and name H8 ))
4.194 1.049 1.049 peak 332 weight 1.00000E+00 volume 6.00000E+06 ppm1 11.336 ppm2 8.199
ASSI { 333}
(( segid " A" and resid 18 and name H1 ))
(( segid " A" and resid 19 and name H1 ))
3.642 0.910 0.910 peak 333 weight 1.00000E+00 volume 1.40000E+07 ppm1 11.484 ppm2 11.356
ASSI { 334}
(( segid " A" and resid 18 and name H1 ))
(( segid " A" and resid 19 and name H8 ))
4.311 1.078 1.078 peak 334 weight 1.00000E+00 volume 5.09000E+06 ppm1 11.485 ppm2 7.936
ASSI { 335}
(( segid " A" and resid 3 and name H2''))
(( segid " A" and resid 3 and name H3' ))
2.564 0.641 0.641 peak 335 weight 1.00000E+00 volume 1.15000E+08 ppm1 4.968 ppm2 2.526
ASSI { 336}
(( segid " A" and resid 3 and name H2' ))
(( segid " A" and resid 3 and name H3' ))
2.969 0.742 0.742 peak 336 weight 1.00000E+00 volume 4.77000E+07 ppm1 4.967 ppm2 2.925
ASSI { 337}
(( segid " A" and resid 3 and name H3' ))
(( segid " A" and resid 3 and name H4' ))
3.002 0.751 0.751 peak 337 weight 1.00000E+00 volume 4.46000E+07 ppm1 4.966 ppm2 4.570
ASSI { 338}
(( segid " A" and resid 2 and name H8 ))
(( segid " A" and resid 3 and name H8 ))
3.547 0.887 0.887 peak 338 weight 1.00000E+00 volume 1.64000E+07 ppm1 8.051 ppm2 7.610
ASSI { 339}
(( segid " A" and resid 2 and name H1' ))
(( segid " A" and resid 2 and name H4' ))
3.213 0.803 0.803 peak 339 weight 1.00000E+00 volume 2.97000E+07 ppm1 6.093 ppm2 4.490
ASSI { 340}
(( segid " A" and resid 2 and name H1' ))
(( segid " A" and resid 2 and name H2''))
2.616 0.654 0.654 peak 340 weight 1.00000E+00 volume 1.02000E+08 ppm1 6.096 ppm2 2.800
ASSI { 341}
(( segid " A" and resid 2 and name H2' ))
(( segid " A" and resid 2 and name H2''))
2.216 0.496 0.554 peak 341 weight 1.00000E+00 volume 2.76000E+08 ppm1 3.030 ppm2 2.782
ASSI { 342}
( segid " A" and resid 4 and name H2'*)
(( segid " A" and resid 4 and name H3' ))
2.484 0.621 0.621 peak 342 weight 1.00000E+00 volume 1.39000E+08 ppm1 5.172 ppm2 2.788
ASSI { 343}
(( segid " A" and resid 2 and name H1' ))
(( segid " A" and resid 2 and name H2' ))
2.535 0.634 0.634 peak 343 weight 1.00000E+00 volume 1.23000E+08 ppm1 6.093 ppm2 3.033
ASSI { 344}
(( segid " A" and resid 12 and name H1' ))
(( segid " A" and resid 13 and name H5''))
3.385 0.846 0.846 peak 344 weight 1.00000E+00 volume 2.17000E+07 ppm1 6.068 ppm2 3.379
ASSI { 345}
(( segid " A" and resid 12 and name H8 ))
(( segid " A" and resid 12 and name H5''))
3.065 0.766 0.766 peak 345 weight 1.00000E+00 volume 3.94000E+07 ppm1 7.992 ppm2 4.338
ASSI { 346}
(( segid " A" and resid 12 and name H5''))
(( segid " A" and resid 12 and name H4' ))
2.434 0.609 0.609 peak 346 weight 1.00000E+00 volume 1.57000E+08 ppm1 4.933 ppm2 4.335
ASSI { 347}
(( segid " A" and resid 12 and name H2' ))
(( segid " A" and resid 12 and name H4' ))
3.938 0.985 0.985 peak 347 weight 1.00000E+00 volume 8.75000E+06 ppm1 4.933 ppm2 3.050
ASSI { 348}
(( segid " A" and resid 12 and name H2''))
(( segid " A" and resid 12 and name H4' ))
2.785 0.696 0.696 peak 348 weight 1.00000E+00 volume 7.00000E+07 ppm1 4.938 ppm2 2.672
ASSI { 349}
(( segid " A" and resid 12 and name H2''))
(( segid " A" and resid 12 and name H3' ))
2.571 0.643 0.643 peak 349 weight 1.00000E+00 volume 1.13000E+08 ppm1 5.177 ppm2 2.677
ASSI { 350}
(( segid " A" and resid 19 and name H8 ))
(( segid " A" and resid 19 and name H2''))
2.338 0.584 0.584 peak 350 weight 1.00000E+00 volume 2.00000E+08 ppm1 7.954 ppm2 2.786
ASSI { 351}
(( segid " A" and resid 19 and name H8 ))
(( segid " A" and resid 19 and name H2' ))
2.646 0.661 0.661 peak 351 weight 1.00000E+00 volume 9.52000E+07 ppm1 7.954 ppm2 3.002
ASSI { 352}
(( segid " A" and resid 20 and name H2' ))
(( segid " A" and resid 20 and name H3' ))
2.579 0.645 0.645 peak 352 weight 1.00000E+00 volume 1.11000E+08 ppm1 4.994 ppm2 2.773
ASSI { 353}
(( segid " A" and resid 20 and name H2''))
(( segid " A" and resid 20 and name H3' ))
2.450 0.612 0.612 peak 353 weight 1.00000E+00 volume 1.51000E+08 ppm1 4.993 ppm2 2.520
ASSI { 354}
(( segid " A" and resid 20 and name H3' ))
(( segid " A" and resid 20 and name H5' ))
2.409 0.602 0.602 peak 354 weight 1.00000E+00 volume 1.67000E+08 ppm1 4.988 ppm2 4.164
ASSI { 355}
(( segid " A" and resid 20 and name H3' ))
(( segid " A" and resid 20 and name H5''))
2.616 0.654 0.654 peak 355 weight 1.00000E+00 volume 1.02000E+08 ppm1 4.993 ppm2 4.343
ASSI { 356}
(( segid " A" and resid 13 and name H1' ))
(( segid " A" and resid 13 and name H3' ))
3.090 0.773 0.773 peak 356 weight 1.00000E+00 volume 3.75000E+07 ppm1 6.354 ppm2 4.785
ASSI { 357}
(( segid " A" and resid 13 and name H5''))
(( segid " A" and resid 13 and name H4' ))
2.539 0.635 0.635 peak 357 weight 1.00000E+00 volume 1.22000E+08 ppm1 3.901 ppm2 3.382
ASSI { 358}
(( segid " A" and resid 9 and name H3' ))
(( segid " A" and resid 9 and name H4' ))
2.633 0.658 0.658 peak 358 weight 1.00000E+00 volume 9.81000E+07 ppm1 5.053 ppm2 4.713
ASSI { 359}
(( segid " A" and resid 16 and name H1' ))
(( segid " A" and resid 16 and name H4' ))
3.268 0.817 0.817 peak 359 weight 1.00000E+00 volume 2.68000E+07 ppm1 6.108 ppm2 4.823
ASSI { 360}
(( segid " A" and resid 16 and name H3' ))
(( segid " A" and resid 16 and name H5' ))
2.697 0.674 0.674 peak 360 weight 1.00000E+00 volume 8.48000E+07 ppm1 5.141 ppm2 4.312
ASSI { 361}
(( segid " A" and resid 16 and name H2''))
(( segid " A" and resid 16 and name H5' ))
3.562 0.890 0.890 peak 361 weight 1.00000E+00 volume 1.60000E+07 ppm1 4.302 ppm2 1.729
ASSI { 362}
(( segid " A" and resid 16 and name H2' ))
(( segid " A" and resid 16 and name H5' ))
3.600 0.900 0.900 peak 362 weight 1.00000E+00 volume 1.50000E+07 ppm1 4.302 ppm2 2.193
ASSI { 363}
(( segid " A" and resid 8 and name H2''))
(( segid " A" and resid 8 and name H4' ))
3.412 0.853 0.853 peak 363 weight 1.00000E+00 volume 2.07000E+07 ppm1 4.448 ppm2 2.219
ASSI { 364}
(( segid " A" and resid 8 and name H2' ))
(( segid " A" and resid 8 and name H4' ))
3.554 0.889 0.889 peak 364 weight 1.00000E+00 volume 1.62000E+07 ppm1 4.449 ppm2 2.280
ASSI { 365}
(( segid " A" and resid 5 and name H6 ))
(( segid " A" and resid 5 and name H2' ))
2.714 0.678 0.678 peak 365 weight 1.00000E+00 volume 8.18000E+07 ppm1 8.086 ppm2 2.792
ASSI { 366}
(( segid " A" and resid 5 and name H6 ))
(( segid " A" and resid 5 and name H5''))
3.055 0.764 0.764 peak 366 weight 1.00000E+00 volume 4.02000E+07 ppm1 8.086 ppm2 4.329
ASSI { 367}
(( segid " A" and resid 5 and name H2' ))
(( segid " A" and resid 5 and name H3' ))
2.627 0.657 0.657 peak 367 weight 1.00000E+00 volume 9.93000E+07 ppm1 5.137 ppm2 2.793
ASSI { 368}
(( segid " A" and resid 15 and name H2''))
(( segid " A" and resid 15 and name H3' ))
2.632 0.658 0.658 peak 368 weight 1.00000E+00 volume 9.83000E+07 ppm1 5.142 ppm2 2.854
ASSI { 369}
(( segid " A" and resid 15 and name H2' ))
(( segid " A" and resid 15 and name H4' ))
4.065 1.016 1.016 peak 369 weight 1.00000E+00 volume 7.24000E+06 ppm1 4.567 ppm2 3.005
ASSI { 370}
(( segid " A" and resid 14 and name H8 ))
(( segid " A" and resid 14 and name H2' ))
3.711 0.928 0.928 peak 370 weight 1.00000E+00 volume 1.25000E+07 ppm1 8.281 ppm2 2.831
ASSI { 371}
(( segid " A" and resid 6 and name H5''))
(( segid " A" and resid 6 and name H1' ))
3.166 0.792 0.792 peak 371 weight 1.00000E+00 volume 3.24000E+07 ppm1 6.241 ppm2 4.378
ASSI { 372}
(( segid " A" and resid 14 and name H2''))
(( segid " A" and resid 14 and name H3' ))
2.878 0.719 0.719 peak 372 weight 1.00000E+00 volume 5.75000E+07 ppm1 4.950 ppm2 2.744
ASSI { 373}
(( segid " A" and resid 14 and name H5''))
(( segid " A" and resid 14 and name H3' ))
2.553 0.638 0.638 peak 373 weight 1.00000E+00 volume 1.18000E+08 ppm1 4.950 ppm2 4.169
ASSI { 374}
(( segid " A" and resid 14 and name H5' ))
(( segid " A" and resid 14 and name H3' ))
2.571 0.643 0.643 peak 374 weight 1.00000E+00 volume 1.13000E+08 ppm1 4.950 ppm2 4.067
ASSI { 375}
(( segid " A" and resid 21 and name H2''))
(( segid " A" and resid 21 and name H3' ))
2.675 0.669 0.669 peak 375 weight 1.00000E+00 volume 8.92000E+07 ppm1 4.875 ppm2 2.392
ASSI { 376}
(( segid " A" and resid 20 and name H2' ))
(( segid " A" and resid 21 and name H8 ))
2.874 0.719 0.719 peak 376 weight 1.00000E+00 volume 5.79000E+07 ppm1 7.852 ppm2 2.779
ASSI { 377}
( segid " A" and resid 21 and name H5'*)
(( segid " A" and resid 21 and name H3' ))
3.015 0.754 0.754 peak 377 weight 1.00000E+00 volume 4.35000E+07 ppm1 4.860 ppm2 4.169
ASSI { 378}
(( segid " A" and resid 21 and name H4' ))
(( segid " A" and resid 21 and name H3' ))
2.434 0.609 0.609 peak 378 weight 1.00000E+00 volume 1.57000E+08 ppm1 4.862 ppm2 4.324
ASSI { 379}
(( segid " A" and resid 21 and name H2''))
(( segid " A" and resid 21 and name H4' ))
3.388 0.847 0.847 peak 379 weight 1.00000E+00 volume 2.16000E+07 ppm1 4.336 ppm2 2.385
ASSI { 380}
(( segid " A" and resid 22 and name H3' ))
(( segid " A" and resid 22 and name H5' ))
2.624 0.656 0.656 peak 380 weight 1.00000E+00 volume 1.00000E+08 ppm1 4.904 ppm2 4.050
ASSI { 381}
(( segid " A" and resid 22 and name H4' ))
(( segid " A" and resid 22 and name H2''))
4.259 1.065 1.065 peak 381 weight 1.00000E+00 volume 5.47000E+06 ppm1 4.584 ppm2 2.365
ASSI { 382}
(( segid " A" and resid 22 and name H2''))
(( segid " A" and resid 22 and name H5' ))
2.946 0.736 0.736 peak 382 weight 1.00000E+00 volume 5.00000E+07 ppm1 4.072 ppm2 2.362
ASSI { 383}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 7 and name H2''))
2.461 0.615 0.615 peak 383 weight 1.00000E+00 volume 1.47000E+08 ppm1 8.018 ppm2 2.752
ASSI { 384}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 7 and name H3' ))
3.600 0.900 0.900 peak 384 weight 1.00000E+00 volume 1.50000E+07 ppm1 8.017 ppm2 5.217
ASSI { 385}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 7 and name H5' ))
3.085 0.771 0.771 peak 385 weight 1.00000E+00 volume 3.79000E+07 ppm1 6.329 ppm2 4.496
ASSI { 386}
(( segid " A" and resid 7 and name H1' ))
(( segid " A" and resid 7 and name H5''))
3.188 0.797 0.797 peak 386 weight 1.00000E+00 volume 3.11000E+07 ppm1 6.331 ppm2 4.389
ASSI { 387}
(( segid " A" and resid 7 and name H3' ))
(( segid " A" and resid 7 and name H4' ))
2.672 0.668 0.668 peak 387 weight 1.00000E+00 volume 8.97000E+07 ppm1 5.231 ppm2 4.697
ASSI { 388}
(( segid " A" and resid 7 and name H2' ))
(( segid " A" and resid 7 and name H5' ))
3.998 0.999 0.999 peak 388 weight 1.00000E+00 volume 8.00000E+06 ppm1 4.503 ppm2 2.896
ASSI { 389}
(( segid " A" and resid 7 and name H2' ))
(( segid " A" and resid 7 and name H2''))
2.200 0.480 0.550 peak 389 weight 1.00000E+00 volume 2.88000E+08 ppm1 2.893 ppm2 2.768
ASSI { 390}
(( segid " A" and resid 1 and name H1' ))
(( segid " A" and resid 1 and name H3' ))
3.023 0.756 0.756 peak 390 weight 1.00000E+00 volume 4.28000E+07 ppm1 5.979 ppm2 4.877
ASSI { 391}
(( segid " A" and resid 1 and name H1' ))
( segid " A" and resid 1 and name H5'*)
3.922 0.981 0.981 peak 391 weight 1.00000E+00 volume 8.97000E+06 ppm1 5.979 ppm2 3.707
ASSI { 392}
(( segid " A" and resid 1 and name H1' ))
(( segid " A" and resid 2 and name H2' ))
3.998 0.999 0.999 peak 392 weight 1.00000E+00 volume 8.00000E+06 ppm1 5.979 ppm2 3.025
ASSI { 393}
(( segid " A" and resid 1 and name H1' ))
(( segid " A" and resid 1 and name H2' ))
2.445 0.611 0.611 peak 393 weight 1.00000E+00 volume 1.53000E+08 ppm1 5.979 ppm2 2.654
ASSI { 394}
(( segid " A" and resid 1 and name H3' ))
( segid " A" and resid 1 and name H5'*)
2.625 0.656 0.656 peak 394 weight 1.00000E+00 volume 9.99000E+07 ppm1 4.866 ppm2 3.705
ASSI { 395}
(( segid " A" and resid 1 and name H2''))
(( segid " A" and resid 1 and name H3' ))
2.522 0.630 0.630 peak 395 weight 1.00000E+00 volume 1.27000E+08 ppm1 4.867 ppm2 2.510
ASSI { 396}
(( segid " A" and resid 1 and name H2''))
( segid " A" and resid 1 and name H5'*)
3.324 0.831 0.831 peak 396 weight 1.00000E+00 volume 2.42000E+07 ppm1 3.703 ppm2 2.511
ASSI { 397}
(( segid " A" and resid 1 and name H2' ))
( segid " A" and resid 1 and name H5'*)
3.785 0.946 0.946 peak 397 weight 1.00000E+00 volume 1.11000E+07 ppm1 3.703 ppm2 2.641
ASSI { 398}
(( segid " A" and resid 17 and name H1' ))
(( segid " A" and resid 17 and name H2' ))
2.560 0.640 0.640 peak 398 weight 1.00000E+00 volume 1.16000E+08 ppm1 6.285 ppm2 2.857
ASSI { 399}
(( segid " A" and resid 17 and name H8 ))
(( segid " A" and resid 17 and name H2' ))
2.546 0.636 0.636 peak 399 weight 1.00000E+00 volume 1.20000E+08 ppm1 8.132 ppm2 2.862
ASSI { 400}
(( segid " A" and resid 17 and name H2' ))
(( segid " A" and resid 17 and name H3' ))
2.528 0.632 0.632 peak 400 weight 1.00000E+00 volume 1.25000E+08 ppm1 5.110 ppm2 2.863
ASSI { 401}
(( segid " A" and resid 17 and name H2' ))
(( segid " A" and resid 17 and name H5' ))
3.600 0.900 0.900 peak 401 weight 1.00000E+00 volume 1.50000E+07 ppm1 3.992 ppm2 2.857
ASSI { 402}
(( segid " A" and resid 17 and name H2''))
(( segid " A" and resid 17 and name H5' ))
3.592 0.898 0.898 peak 402 weight 1.00000E+00 volume 1.52000E+07 ppm1 3.992 ppm2 2.795
ASSI { 403}
(( segid " A" and resid 16 and name H6 ))
( segid " A" and resid 16 and name H5# )
2.546 0.636 0.636 peak 403 weight 1.00000E+00 volume 1.20000E+08 ppm1 7.573 ppm2 1.949
ASSI { 404}
(( segid " A" and resid 8 and name H6 ))
( segid " A" and resid 8 and name H5# )
2.502 0.626 0.626 peak 404 weight 1.00000E+00 volume 1.33000E+08 ppm1 7.468 ppm2 1.828
ASSI { 405}
(( segid " A" and resid 10 and name H6 ))
( segid " A" and resid 10 and name H5# )
2.432 0.608 0.608 peak 405 weight 1.00000E+00 volume 1.58000E+08 ppm1 8.023 ppm2 2.022
ASSI { 406}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 15 and name H3' ))
3.168 0.792 0.792 peak 406 weight 1.00000E+00 volume 3.23000E+07 ppm1 8.502 ppm2 5.142
ASSI { 407}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 15 and name H5''))
3.432 0.858 0.858 peak 407 weight 1.00000E+00 volume 2.00000E+07 ppm1 8.502 ppm2 4.332
ASSI { 408}
(( segid " A" and resid 8 and name H1' ))
( segid " A" and resid 8 and name H5# )
3.860 0.965 0.965 peak 408 weight 1.00000E+00 volume 9.88000E+06 ppm1 5.831 ppm2 1.827
ASSI { 409}
(( segid " A" and resid 4 and name H8 ))
( segid " A" and resid 8 and name H5# )
4.708 1.177 1.177 peak 409 weight 1.00000E+00 volume 3.00000E+06 ppm1 7.728 ppm2 1.832
ASSI { 410}
(( segid " A" and resid 16 and name H2' ))
(( segid " A" and resid 16 and name H2''))
2.506 0.626 0.626 peak 410 weight 1.00000E+00 volume 1.32000E+08 ppm1 2.190 ppm2 1.734
ASSI { 411}
(( segid " A" and resid 4 and name H3' ))
( segid " A" and resid 8 and name H5# )
4.061 1.015 1.015 peak 411 weight 1.00000E+00 volume 7.28000E+06 ppm1 5.171 ppm2 1.827
ASSI { 412}
(( segid " A" and resid 10 and name H2''))
( segid " A" and resid 10 and name H5# )
3.372 0.843 0.843 peak 412 weight 1.00000E+00 volume 2.22000E+07 ppm1 2.579 ppm2 2.026
ASSI { 413}
(( segid " A" and resid 4 and name H1' ))
( segid " A" and resid 8 and name H5# )
3.150 0.788 0.788 peak 413 weight 1.00000E+00 volume 3.34000E+07 ppm1 6.342 ppm2 1.830
ASSI { 414}
(( segid " A" and resid 16 and name H2' ))
(( segid " A" and resid 17 and name H3' ))
3.908 0.977 0.977 peak 414 weight 1.00000E+00 volume 9.16000E+06 ppm1 5.113 ppm2 2.195
ASSI { 415}
(( segid " A" and resid 16 and name H2''))
(( segid " A" and resid 17 and name H5''))
3.852 0.963 0.963 peak 415 weight 1.00000E+00 volume 1.00000E+07 ppm1 4.131 ppm2 1.730
ASSI { 416}
(( segid " A" and resid 10 and name H2' ))
( segid " A" and resid 10 and name H5# )
3.885 0.971 0.971 peak 416 weight 1.00000E+00 volume 9.49000E+06 ppm1 2.694 ppm2 2.027
ASSI { 417}
(( segid " A" and resid 16 and name H2''))
(( segid " A" and resid 17 and name H2' ))
3.650 0.913 0.913 peak 417 weight 1.00000E+00 volume 1.38000E+07 ppm1 2.863 ppm2 1.732
ASSI { 418}
(( segid " A" and resid 16 and name H2' ))
(( segid " A" and resid 17 and name H2' ))
3.543 0.886 0.886 peak 418 weight 1.00000E+00 volume 1.65000E+07 ppm1 2.863 ppm2 2.193
ASSI { 419}
(( segid " A" and resid 16 and name H2''))
(( segid " A" and resid 17 and name H5' ))
3.922 0.981 0.981 peak 419 weight 1.00000E+00 volume 8.97000E+06 ppm1 3.990 ppm2 1.730
ASSI { 420}
(( segid " A" and resid 15 and name H1' ))
( segid " A" and resid 16 and name H5# )
4.011 1.003 1.003 peak 420 weight 1.00000E+00 volume 7.84000E+06 ppm1 6.496 ppm2 1.947
ASSI { 421}
(( segid " A" and resid 16 and name H2''))
(( segid " A" and resid 17 and name H8 ))
3.383 0.846 0.846 peak 421 weight 1.00000E+00 volume 2.18000E+07 ppm1 8.133 ppm2 1.730
ASSI { 422}
(( segid " A" and resid 17 and name H2' ))
(( segid " A" and resid 17 and name H5''))
3.143 0.786 0.786 peak 422 weight 1.00000E+00 volume 3.39000E+07 ppm1 4.125 ppm2 2.871
ASSI { 423}
(( segid " A" and resid 1 and name H2' ))
(( segid " A" and resid 1 and name H3' ))
2.785 0.696 0.696 peak 423 weight 1.00000E+00 volume 7.00000E+07 ppm1 4.867 ppm2 2.646
ASSI { 424}
(( segid " A" and resid 1 and name H8 ))
(( segid " A" and resid 1 and name H2' ))
2.857 0.714 0.714 peak 424 weight 1.00000E+00 volume 6.00000E+07 ppm1 7.928 ppm2 2.650
ASSI { 425}
(( segid " A" and resid 1 and name H8 ))
(( segid " A" and resid 1 and name H2''))
2.785 0.696 0.696 peak 425 weight 1.00000E+00 volume 7.00000E+07 ppm1 7.927 ppm2 2.528
ASSI { 426}
(( segid " A" and resid 7 and name H2' ))
(( segid " A" and resid 8 and name H4' ))
3.367 0.842 0.842 peak 426 weight 1.00000E+00 volume 2.24000E+07 ppm1 4.447 ppm2 2.898
ASSI { 427}
(( segid " A" and resid 3 and name H2''))
(( segid " A" and resid 3 and name H5' ))
3.306 0.827 0.827 peak 427 weight 1.00000E+00 volume 2.50000E+07 ppm1 4.252 ppm2 2.526
ASSI { 428}
(( segid " A" and resid 16 and name H2' ))
(( segid " A" and resid 17 and name H5' ))
3.306 0.827 0.827 peak 428 weight 1.00000E+00 volume 2.50000E+07 ppm1 3.990 ppm2 2.213
ASSI { 429}
(( segid " A" and resid 12 and name H2' ))
(( segid " A" and resid 12 and name H3' ))
2.762 0.690 0.690 peak 429 weight 1.00000E+00 volume 7.36000E+07 ppm1 5.176 ppm2 3.047
ASSI { 430}
(( segid " A" and resid 20 and name H3' ))
(( segid " A" and resid 21 and name H8 ))
3.701 0.925 0.925 peak 430 weight 1.00000E+00 volume 1.27000E+07 ppm1 7.852 ppm2 4.992
ASSI { 431}
(( segid " A" and resid 15 and name H4' ))
(( segid " A" and resid 16 and name H6 ))
3.791 0.948 0.948 peak 431 weight 1.00000E+00 volume 1.10000E+07 ppm1 7.573 ppm2 4.568
ASSI { 432}
(( segid " A" and resid 19 and name H8 ))
(( segid " A" and resid 20 and name H8 ))
3.515 0.879 0.879 peak 432 weight 1.00000E+00 volume 1.73000E+07 ppm1 7.954 ppm2 7.667
ASSI { 433}
(( segid " A" and resid 17 and name H1' ))
( segid " A" and resid 18 and name H5'*)
3.533 0.883 0.883 peak 433 weight 1.00000E+00 volume 1.68000E+07 ppm1 6.282 ppm2 4.261
ASSI { 434}
(( segid " A" and resid 1 and name H1' ))
(( segid " A" and resid 2 and name H4' ))
4.323 1.081 1.081 peak 434 weight 1.00000E+00 volume 5.00000E+06 ppm1 5.980 ppm2 4.486
ASSI { 435}
(( segid " A" and resid 1 and name H4' ))
(( segid " A" and resid 2 and name H1' ))
8.000 2.000 0.000 peak 435 weight 1.00000E+00 volume 7.00000E+00 ppm1 6.094 ppm2 4.141
ASSI { 436}
(( segid " A" and resid 7 and name H8 ))
(( segid " A" and resid 9 and name H8 ))
4.194 1.049 1.049 peak 436 weight 1.00000E+00 volume 6.00000E+06 ppm1 8.017 ppm2 7.724
ASSI { 437}
(( segid " A" and resid 12 and name H8 ))
(( segid " A" and resid 13 and name H8 ))
4.194 1.049 1.049 peak 437 weight 1.00000E+00 volume 6.00000E+06 ppm1 7.991 ppm2 7.745
ASSI { 438}
(( segid " A" and resid 15 and name H1' ))
(( segid " A" and resid 16 and name H6 ))
3.984 0.996 0.996 peak 438 weight 1.00000E+00 volume 8.17000E+06 ppm1 7.572 ppm2 6.496
ASSI { 439}
(( segid " A" and resid 14 and name H1' ))
(( segid " A" and resid 15 and name H8 ))
3.650 0.913 0.913 peak 439 weight 1.00000E+00 volume 1.38000E+07 ppm1 8.502 ppm2 6.309
ASSI { 440}
(( segid " A" and resid 14 and name H3' ))
(( segid " A" and resid 15 and name H8 ))
3.774 0.944 0.944 peak 440 weight 1.00000E+00 volume 1.13000E+07 ppm1 8.502 ppm2 4.951
ASSI { 441}
(( segid " A" and resid 15 and name H8 ))
( segid " A" and resid 16 and name H5# )
4.660 1.165 1.165 peak 441 weight 1.00000E+00 volume 3.19000E+06 ppm1 8.502 ppm2 1.945
ASSI { 442}
(( segid " A" and resid 3 and name H1 ))
(( segid " A" and resid 6 and name H2' ))
3.980 0.995 0.995 peak 442 weight 1.00000E+00 volume 8.22000E+06 ppm1 11.216 ppm2 3.005
ASSI { 443}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 18 and name H2''))
4.323 1.081 1.081 peak 443 weight 1.00000E+00 volume 5.00000E+06 ppm1 11.523 ppm2 2.764
ASSI { 444}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 18 and name H2' ))
4.191 1.048 1.048 peak 444 weight 1.00000E+00 volume 6.03000E+06 ppm1 11.524 ppm2 3.004
ASSI { 445}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 11 and name H1 ))
3.588 0.897 0.897 peak 445 weight 1.00000E+00 volume 1.53000E+07 ppm1 11.951 ppm2 11.513
ASSI { 446}
(( segid " A" and resid 2 and name H1 ))
(( segid " A" and resid 6 and name H1 ))
4.235 1.059 1.059 peak 446 weight 1.00000E+00 volume 5.66000E+06 ppm1 11.912 ppm2 11.719
ASSI { 447}
(( segid " A" and resid 12 and name H1 ))
(( segid " A" and resid 9 and name H1 ))
4.608 1.152 1.152 peak 447 weight 1.00000E+00 volume 3.41000E+06 ppm1 11.523 ppm2 11.265
ASSI { 448}
(( segid " A" and resid 13 and name H1 ))
(( segid " A" and resid 20 and name H2''))
4.650 1.163 1.163 peak 448 weight 1.00000E+00 volume 3.23000E+06 ppm1 11.216 ppm2 2.524
ASSI { 449}
(( segid " A" and resid 20 and name H1 ))
(( segid " A" and resid 20 and name H2''))
4.379 1.095 1.095 peak 449 weight 1.00000E+00 volume 4.63000E+06 ppm1 10.880 ppm2 2.525
ASSI { 450}
(( segid " A" and resid 20 and name H1 ))
(( segid " A" and resid 20 and name H2' ))
4.487 1.122 1.122 peak 450 weight 1.00000E+00 volume 4.00000E+06 ppm1 10.880 ppm2 2.781
ASSI { 451}
(( segid " A" and resid 19 and name H1 ))
(( segid " A" and resid 20 and name H2''))
5.037 1.259 1.259 peak 451 weight 1.00000E+00 volume 2.00000E+06 ppm1 11.350 ppm2 2.524
ASSI { 452}
(( segid " A" and resid 19 and name H1 ))
(( segid " A" and resid 20 and name H2' ))
5.028 1.257 1.257 peak 452 weight 1.00000E+00 volume 2.02000E+06 ppm1 11.356 ppm2 2.781
ASSI { 453}
(( segid " A" and resid 7 and name H1 ))
(( segid " A" and resid 11 and name H2''))
4.194 1.049 1.049 peak 453 weight 1.00000E+00 volume 6.00000E+06 ppm1 11.337 ppm2 2.666
ASSI { 454}
(( segid " A" and resid 7 and name H2''))
(( segid " A" and resid 4 and name H1 ))
4.010 1.003 1.003 peak 454 weight 1.00000E+00 volume 7.85000E+06 ppm1 11.263 ppm2 2.760
ASSI { 455}
(( segid " A" and resid 7 and name H2''))
(( segid " A" and resid 8 and name H6 ))
4.194 1.049 1.049 peak 455 weight 1.00000E+00 volume 6.00000E+06 ppm1 7.469 ppm2 2.754
ASSI { 456}
(( segid " A" and resid 7 and name H2' ))
(( segid " A" and resid 8 and name H6 ))
4.029 1.007 1.007 peak 456 weight 1.00000E+00 volume 7.63000E+06 ppm1 7.467 ppm2 2.890
ASSI { 457}
(( segid " A" and resid 7 and name H2' ))
(( segid " A" and resid 4 and name H1 ))
3.852 0.963 0.963 peak 457 weight 1.00000E+00 volume 1.00000E+07 ppm1 11.261 ppm2 2.897
ASSI { 458}
(( segid " A" and resid 12 and name H5''))
(( segid " A" and resid 12 and name H5' ))
2.089 0.369 0.522 peak 458 weight 1.00000E+00 volume 3.93000E+08 ppm1 4.463 ppm2 4.339
ASSI { 459}
(( segid " A" and resid 15 and name H1' ))
(( segid " A" and resid 16 and name H2''))
4.284 1.071 1.071 peak 459 weight 1.00000E+00 volume 5.28000E+06 ppm1 6.497 ppm2 1.733
ASSI { 460}
(( segid " A" and resid 9 and name H2' ))
(( segid " A" and resid 8 and name H1' ))
4.147 1.037 1.037 peak 460 weight 1.00000E+00 volume 6.42000E+06 ppm1 5.830 ppm2 3.121
ASSI { 461}
(( segid " A" and resid 7 and name H2' ))
(( segid " A" and resid 8 and name H1' ))
3.852 0.963 0.963 peak 461 weight 1.00000E+00 volume 1.00000E+07 ppm1 5.831 ppm2 2.897
ASSI { 462}
(( segid " A" and resid 7 and name H2''))
(( segid " A" and resid 8 and name H1' ))
3.600 0.900 0.900 peak 462 weight 1.00000E+00 volume 1.50000E+07 ppm1 5.831 ppm2 2.746
ASSI { 463}
(( segid " A" and resid 15 and name H1' ))
(( segid " A" and resid 16 and name H2' ))
4.145 1.036 1.036 peak 463 weight 1.00000E+00 volume 6.44000E+06 ppm1 6.500 ppm2 2.195
ASSI { 464}
(( segid " A" and resid 13 and name H5''))
(( segid " A" and resid 14 and name H1' ))
3.920 0.980 0.980 peak 464 weight 1.00000E+00 volume 9.00000E+06 ppm1 6.310 ppm2 3.377
ASSI { 465}
(( segid " A" and resid 12 and name H4' ))
(( segid " A" and resid 13 and name H5''))
4.889 1.222 1.222 peak 465 weight 1.00000E+00 volume 2.39000E+06 ppm1 4.941 ppm2 3.382
ASSI { 466}
(( segid " A" and resid 16 and name H2''))
(( segid " A" and resid 17 and name H3' ))
3.998 0.999 0.999 peak 466 weight 1.00000E+00 volume 8.00000E+06 ppm1 5.115 ppm2 1.738
ASSI { 467}
(( segid " A" and resid 16 and name H3' ))
( segid " A" and resid 16 and name H5# )
4.708 1.177 1.177 peak 467 weight 1.00000E+00 volume 3.00000E+06 ppm1 5.141 ppm2 1.953
ASSI { 468}
(( segid " A" and resid 15 and name H3' ))
(( segid " A" and resid 16 and name H2''))
4.194 1.049 1.049 peak 468 weight 1.00000E+00 volume 6.00000E+06 ppm1 5.142 ppm2 1.732
ASSI { 469}
(( segid " A" and resid 15 and name H3' ))
(( segid " A" and resid 16 and name H2' ))
5.333 1.333 1.333 peak 469 weight 1.00000E+00 volume 1.42000E+06 ppm1 5.142 ppm2 2.202
ASSI { 470}
(( segid " A" and resid 10 and name H1' ))
( segid " A" and resid 10 and name H5# )
4.125 1.031 1.031 peak 470 weight 1.00000E+00 volume 6.63000E+06 ppm1 6.592 ppm2 2.027
ASSI { 471}
(( segid " A" and resid 10 and name H3' ))
( segid " A" and resid 10 and name H5# )
4.259 1.065 1.065 peak 471 weight 1.00000E+00 volume 5.47000E+06 ppm1 5.230 ppm2 2.025
ASSI { 472}
(( segid " A" and resid 9 and name H3' ))
( segid " A" and resid 10 and name H5# )
4.869 1.217 1.217 peak 472 weight 1.00000E+00 volume 2.45000E+06 ppm1 5.055 ppm2 2.017
ASSI { 473}
(( segid " A" and resid 15 and name H2' ))
( segid " A" and resid 16 and name H5# )
4.462 1.115 1.115 peak 473 weight 1.00000E+00 volume 4.14000E+06 ppm1 3.000 ppm2 1.953
ASSI { 474}
(( segid " A" and resid 15 and name H2' ))
(( segid " A" and resid 16 and name H2''))
4.006 1.002 1.002 peak 474 weight 1.00000E+00 volume 7.90000E+06 ppm1 3.000 ppm2 1.741
ASSI { 475}
(( segid " A" and resid 15 and name H2' ))
(( segid " A" and resid 16 and name H2' ))
4.586 1.147 1.147 peak 475 weight 1.00000E+00 volume 3.51000E+06 ppm1 3.000 ppm2 2.205
ASSI { 476}
(( segid " A" and resid 13 and name H5' ))
(( segid " A" and resid 14 and name H8 ))
3.505 0.876 0.876 peak 476 weight 1.00000E+00 volume 1.76000E+07 ppm1 8.283 ppm2 3.078
ASSI { 477}
(( segid " A" and resid 14 and name H2''))
(( segid " A" and resid 15 and name H8 ))
3.057 0.764 0.764 peak 477 weight 1.00000E+00 volume 4.00000E+07 ppm1 8.504 ppm2 2.750
ASSI { 478}
(( segid " A" and resid 17 and name H2' ))
(( segid " A" and resid 18 and name H8 ))
4.939 1.235 1.235 peak 478 weight 1.00000E+00 volume 2.25000E+06 ppm1 8.199 ppm2 2.877
ASSI { 479}
(( segid " A" and resid 15 and name H8 ))
(( segid " A" and resid 15 and name H4' ))
3.999 1.000 1.000 peak 479 weight 1.00000E+00 volume 7.99000E+06 ppm1 8.502 ppm2 4.569
ASSI { 480}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 3 and name H5' ))
4.323 1.081 1.081 peak 480 weight 1.00000E+00 volume 5.00000E+06 ppm1 7.722 ppm2 4.243
ASSI { 481}
(( segid " A" and resid 18 and name H8 ))
(( segid " A" and resid 19 and name H8 ))
3.432 0.858 0.858 peak 481 weight 1.00000E+00 volume 2.00000E+07 ppm1 8.196 ppm2 7.971
ASSI { 482}
(( segid " A" and resid 21 and name H2' ))
(( segid " A" and resid 22 and name H5''))
2.785 0.696 0.696 peak 482 weight 1.00000E+00 volume 7.00000E+07 ppm1 4.068 ppm2 2.524
ASSI { 483}
(( segid " A" and resid 8 and name H2''))
(( segid " A" and resid 8 and name H5''))
2.946 0.736 0.736 peak 483 weight 1.00000E+00 volume 5.00000E+07 ppm1 4.380 ppm2 2.218
ASSI { 484}
(( segid " A" and resid 11 and name H2' ))
(( segid " A" and resid 12 and name H5''))
2.402 0.601 0.601 peak 484 weight 1.00000E+00 volume 1.70000E+08 ppm1 4.331 ppm2 3.032
ASSI { 485}
(( segid " A" and resid 8 and name H2' ))
(( segid " A" and resid 8 and name H5''))
3.116 0.779 0.779 peak 485 weight 1.00000E+00 volume 3.57000E+07 ppm1 4.379 ppm2 2.281
ASSI { 486}
(( segid " A" and resid 4 and name H8 ))
(( segid " A" and resid 3 and name H2' ))
2.356 0.589 0.589 peak 486 weight 1.00000E+00 volume 1.91000E+08 ppm1 7.723 ppm2 2.910
ASSI { 487}
(( segid " A" and resid 20 and name H8 ))
(( segid " A" and resid 21 and name H8 ))
5.206 1.302 1.302 peak 487 weight 1.00000E+00 volume 1.64000E+06 ppm1 7.855 ppm2 7.659
ASSI { 488}
(( segid " A" and resid 17 and name H2''))
(( segid " A" and resid 18 and name H8 ))
4.323 1.081 1.081 peak 488 weight 1.00000E+00 volume 5.00000E+06 ppm1 8.201 ppm2 2.812
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