NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
645096 |
6nk9   |
30555 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 1: AcaTx1_distance-constraints.tbl
ASSI { 1}
(( segid " A" and resid 29 and name 1HB ))
(( segid " A" and resid 29 and name 2HB ))
2.297 0.660 0.660 peak 1 weight 1.00000E+00 volume 1.66088E+06 ppm1 1.815 ppm2 2.171
ASSI { 2}
(( segid " A" and resid 1 and name 1HB ))
(( segid " A" and resid 1 and name HA ))
2.237 0.625 0.625 peak 2 weight 1.00000E+00 volume 1.94831E+06 ppm1 2.702 ppm2 4.478
ASSI { 3}
(( segid " A" and resid 1 and name 1HB ))
(( segid " A" and resid 2 and name H ))
2.787 0.971 0.971 peak 3 weight 1.00000E+00 volume 5.20571E+05 ppm1 2.700 ppm2 8.428
ASSI { 4}
(( segid " A" and resid 1 and name 1HB ))
(( segid " A" and resid 1 and name 2HB ))
1.891 0.447 0.447 peak 4 weight 1.00000E+00 volume 5.33839E+06 ppm1 3.092 ppm2 2.703
ASSI { 5}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 1 and name 2HB ))
2.257 0.637 0.637 peak 5 weight 1.00000E+00 volume 1.84641E+06 ppm1 3.092 ppm2 4.495
ASSI { 6}
(( segid " A" and resid 2 and name H ))
(( segid " A" and resid 2 and name 2HA ))
2.329 0.678 0.678 peak 6 weight 1.00000E+00 volume 1.52938E+06 ppm1 3.638 ppm2 8.415
ASSI { 7}
(( segid " A" and resid 2 and name 2HA ))
(( segid " A" and resid 3 and name H ))
2.497 0.779 0.779 peak 7 weight 1.00000E+00 volume 1.00810E+06 ppm1 3.638 ppm2 8.258
ASSI { 8}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 26 and name 1HB ))
2.641 0.872 0.872 peak 8 weight 1.00000E+00 volume 7.19998E+05 ppm1 3.553 ppm2 3.139
ASSI { 9}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name QB ))
1.955 0.478 0.478 peak 9 weight 1.00000E+00 volume 4.37188E+06 ppm1 3.552 ppm2 1.294
ASSI { 10}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 18 and name QD1 ))
2.410 0.726 0.726 peak 10 weight 1.00000E+00 volume 1.24713E+06 ppm1 3.550 ppm2 0.257
ASSI { 11}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 5 and name H ))
1.858 0.431 0.431 peak 11 weight 1.00000E+00 volume 5.93752E+06 ppm1 3.552 ppm2 9.165
ASSI { 12}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name H ))
2.311 0.667 0.667 peak 12 weight 1.00000E+00 volume 1.60413E+06 ppm1 3.551 ppm2 8.408
ASSI { 13}
(( segid " A" and resid 4 and name QB ))
(( segid " A" and resid 18 and name QD1 ))
2.671 0.892 0.892 peak 13 weight 1.00000E+00 volume 6.71759E+05 ppm1 1.294 ppm2 0.250
ASSI { 14}
(( segid " A" and resid 17 and name 1HA ))
(( segid " A" and resid 17 and name 2HA ))
1.857 0.431 0.431 peak 14 weight 1.00000E+00 volume 5.94848E+06 ppm1 3.568 ppm2 4.224
ASSI { 15}
(( segid " A" and resid 5 and name H ))
(( segid " A" and resid 5 and name 2HA ))
2.500 0.782 0.782 peak 15 weight 1.00000E+00 volume 9.98683E+05 ppm1 3.535 ppm2 9.165
ASSI { 16}
(( segid " A" and resid 5 and name H ))
(( segid " A" and resid 5 and name 1HA ))
2.662 0.886 0.886 peak 16 weight 1.00000E+00 volume 6.85610E+05 ppm1 4.374 ppm2 9.162
ASSI { 17}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name QB ))
1.903 0.453 0.453 peak 17 weight 1.00000E+00 volume 5.13820E+06 ppm1 4.250 ppm2 1.413
ASSI { 18}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 7 and name H ))
1.852 0.429 0.429 peak 18 weight 1.00000E+00 volume 6.05713E+06 ppm1 4.250 ppm2 8.332
ASSI { 19}
(( segid " A" and resid 6 and name QB ))
(( segid " A" and resid 2 and name 1HA ))
2.464 0.759 0.759 peak 19 weight 1.00000E+00 volume 1.09149E+06 ppm1 1.414 ppm2 4.045
ASSI { 20}
(( segid " A" and resid 26 and name 1HB ))
(( segid " A" and resid 6 and name QB ))
2.823 0.996 0.996 peak 20 weight 1.00000E+00 volume 4.81829E+05 ppm1 1.413 ppm2 3.131
ASSI { 21}
(( segid " A" and resid 26 and name 2HB ))
(( segid " A" and resid 6 and name QB ))
4.078 2.078 2.078 peak 21 weight 1.00000E+00 volume 5.31021E+04 ppm1 1.411 ppm2 2.519
ASSI { 22}
(( segid " A" and resid 6 and name QB ))
(( segid " A" and resid 6 and name H ))
2.005 0.503 0.503 peak 22 weight 1.00000E+00 volume 3.75502E+06 ppm1 1.413 ppm2 8.306
ASSI { 23}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 25 and name 2HB ))
3.187 1.269 1.269 peak 23 weight 1.00000E+00 volume 2.33122E+05 ppm1 4.484 ppm2 2.621
OR { 23}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 25 and name 1HB ))
ASSI { 24}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name 2HB ))
2.103 0.553 0.553 peak 24 weight 1.00000E+00 volume 2.82528E+06 ppm1 4.484 ppm2 1.643
OR { 24}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name 1HB ))
ASSI { 26}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 8 and name H ))
1.937 0.469 0.469 peak 26 weight 1.00000E+00 volume 4.61822E+06 ppm1 4.491 ppm2 8.196
ASSI { 27}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name 2HB ))
2.408 0.725 0.725 peak 27 weight 1.00000E+00 volume 1.25287E+06 ppm1 1.656 ppm2 4.496
ASSI { 28}
(( segid " A" and resid 8 and name 2HB ))
(( segid " A" and resid 8 and name HA ))
2.470 0.762 0.762 peak 28 weight 1.00000E+00 volume 1.07575E+06 ppm1 3.059 ppm2 4.744
ASSI { 29}
(( segid " A" and resid 8 and name 1HB ))
(( segid " A" and resid 13 and name 1HB ))
2.259 0.638 0.638 peak 29 weight 1.00000E+00 volume 1.83712E+06 ppm1 3.230 ppm2 2.855
ASSI { 30}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name 1HB ))
2.434 0.741 0.741 peak 30 weight 1.00000E+00 volume 1.17383E+06 ppm1 3.230 ppm2 4.746
ASSI { 31}
(( segid " A" and resid 8 and name 1HB ))
(( segid " A" and resid 9 and name H ))
2.954 1.091 1.091 peak 31 weight 1.00000E+00 volume 3.67497E+05 ppm1 3.229 ppm2 9.644
ASSI { 32}
(( segid " A" and resid 8 and name 2HB ))
(( segid " A" and resid 13 and name 1HB ))
2.306 0.665 0.665 peak 32 weight 1.00000E+00 volume 1.62304E+06 ppm1 3.058 ppm2 2.873
ASSI { 33}
(( segid " A" and resid 8 and name 2HB ))
(( segid " A" and resid 8 and name 1HB ))
1.835 0.421 0.421 peak 33 weight 1.00000E+00 volume 6.39025E+06 ppm1 3.231 ppm2 3.074
ASSI { 34}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name 1HB ))
2.102 0.552 0.552 peak 34 weight 1.00000E+00 volume 2.83344E+06 ppm1 4.568 ppm2 3.808
OR { 34}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name 2HB ))
ASSI { 35}
(( segid " A" and resid 9 and name H ))
(( segid " A" and resid 9 and name HA ))
2.849 1.015 1.015 peak 35 weight 1.00000E+00 volume 4.56474E+05 ppm1 4.575 ppm2 9.633
ASSI { 36}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 10 and name H ))
2.793 0.975 0.975 peak 36 weight 1.00000E+00 volume 5.14062E+05 ppm1 4.567 ppm2 7.916
ASSI { 37}
(( segid " A" and resid 9 and name 2HB ))
(( segid " A" and resid 10 and name QG2 ))
2.948 1.087 1.087 peak 37 weight 1.00000E+00 volume 3.71529E+05 ppm1 3.805 ppm2 1.075
ASSI { 38}
(( segid " A" and resid 9 and name H ))
(( segid " A" and resid 9 and name 2HB ))
2.722 0.926 0.926 peak 38 weight 1.00000E+00 volume 6.00081E+05 ppm1 3.806 ppm2 9.647
ASSI { 39}
(( segid " A" and resid 11 and name 1HB ))
(( segid " A" and resid 11 and name 2HG ))
2.367 0.701 0.701 peak 39 weight 1.00000E+00 volume 1.38654E+06 ppm1 1.934 ppm2 1.212
OR { 39}
(( segid " A" and resid 11 and name 1HB ))
(( segid " A" and resid 11 and name 1HG ))
ASSI { 40}
(( segid " A" and resid 11 and name 1HB ))
(( segid " A" and resid 11 and name 2HB ))
1.988 0.494 0.494 peak 40 weight 1.00000E+00 volume 3.95659E+06 ppm1 1.934 ppm2 1.689
ASSI { 41}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name 2HB ))
2.043 0.522 0.522 peak 41 weight 1.00000E+00 volume 3.36086E+06 ppm1 4.192 ppm2 3.787
OR { 41}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name 1HB ))
ASSI { 42}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name H ))
2.836 1.005 1.005 peak 42 weight 1.00000E+00 volume 4.69653E+05 ppm1 4.191 ppm2 7.991
ASSI { 43}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 13 and name H ))
2.920 1.066 1.066 peak 43 weight 1.00000E+00 volume 3.93823E+05 ppm1 4.194 ppm2 7.588
ASSI { 44}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 13 and name 2HB ))
2.102 0.552 0.552 peak 44 weight 1.00000E+00 volume 2.83399E+06 ppm1 4.558 ppm2 2.951
OR { 44}
(( segid " A" and resid 13 and name 1HB ))
(( segid " A" and resid 13 and name HA ))
ASSI { 45}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 14 and name H ))
2.748 0.944 0.944 peak 45 weight 1.00000E+00 volume 5.66344E+05 ppm1 4.521 ppm2 8.049
ASSI { 46}
(( segid " A" and resid 13 and name H ))
(( segid " A" and resid 13 and name HA ))
2.682 0.899 0.899 peak 46 weight 1.00000E+00 volume 6.55284E+05 ppm1 4.523 ppm2 7.584
ASSI { 47}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 15 and name HA ))
3.065 1.174 1.174 peak 47 weight 1.00000E+00 volume 2.94370E+05 ppm1 5.173 ppm2 4.493
OR { 47}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 14 and name HA ))
ASSI { 48}
(( segid " A" and resid 2 and name 1HA ))
(( segid " A" and resid 14 and name HA ))
2.906 1.055 1.055 peak 48 weight 1.00000E+00 volume 4.05742E+05 ppm1 5.171 ppm2 4.036
ASSI { 49}
(( segid " A" and resid 2 and name 2HA ))
(( segid " A" and resid 14 and name HA ))
2.479 0.768 0.768 peak 49 weight 1.00000E+00 volume 1.05290E+06 ppm1 5.171 ppm2 3.640
ASSI { 50}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 14 and name 1HB ))
2.169 0.588 0.588 peak 50 weight 1.00000E+00 volume 2.34587E+06 ppm1 5.172 ppm2 3.050
ASSI { 51}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 14 and name 2HB ))
2.365 0.699 0.699 peak 51 weight 1.00000E+00 volume 1.39354E+06 ppm1 5.170 ppm2 2.620
ASSI { 52}
(( segid " A" and resid 2 and name H ))
(( segid " A" and resid 14 and name HA ))
2.179 0.594 0.594 peak 52 weight 1.00000E+00 volume 2.28002E+06 ppm1 5.172 ppm2 8.419
ASSI { 53}
(( segid " A" and resid 14 and name H ))
(( segid " A" and resid 14 and name HA ))
2.648 0.876 0.876 peak 53 weight 1.00000E+00 volume 7.08654E+05 ppm1 5.174 ppm2 8.025
ASSI { 54}
(( segid " A" and resid 11 and name 2HB ))
(( segid " A" and resid 14 and name 2HB ))
3.278 1.344 1.344 peak 54 weight 1.00000E+00 volume 1.96585E+05 ppm1 2.625 ppm2 1.651
ASSI { 55}
(( segid " A" and resid 2 and name 2HA ))
(( segid " A" and resid 14 and name 2HB ))
3.011 1.133 1.133 peak 55 weight 1.00000E+00 volume 3.27519E+05 ppm1 2.622 ppm2 3.753
ASSI { 56}
(( segid " A" and resid 14 and name 1HB ))
(( segid " A" and resid 14 and name 2HB ))
2.133 0.569 0.569 peak 56 weight 1.00000E+00 volume 2.59468E+06 ppm1 2.619 ppm2 3.066
ASSI { 57}
(( segid " A" and resid 14 and name 2HB ))
(( segid " A" and resid 15 and name H ))
5.655 3.997 3.997 peak 57 weight 1.00000E+00 volume 7.46719E+03 ppm1 2.623 ppm2 9.349
ASSI { 58}
(( segid " A" and resid 14 and name 1HB ))
(( segid " A" and resid 18 and name 1HB ))
2.363 0.698 0.698 peak 58 weight 1.00000E+00 volume 1.40312E+06 ppm1 3.042 ppm2 1.895
ASSI { 59}
(( segid " A" and resid 14 and name 1HB ))
(( segid " A" and resid 18 and name 2HB ))
2.589 0.838 0.838 peak 59 weight 1.00000E+00 volume 8.09788E+05 ppm1 3.040 ppm2 1.167
ASSI { 60}
(( segid " A" and resid 18 and name QD2 ))
(( segid " A" and resid 14 and name 1HB ))
2.999 1.124 1.124 peak 60 weight 1.00000E+00 volume 3.35427E+05 ppm1 3.043 ppm2 0.658
ASSI { 61}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 15 and name 1HB ))
2.161 0.584 0.584 peak 61 weight 1.00000E+00 volume 2.39482E+06 ppm1 4.438 ppm2 3.285
ASSI { 62}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 15 and name 2HB ))
2.421 0.733 0.733 peak 62 weight 1.00000E+00 volume 1.21229E+06 ppm1 4.435 ppm2 2.398
ASSI { 63}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 15 and name H ))
2.467 0.761 0.761 peak 63 weight 1.00000E+00 volume 1.08307E+06 ppm1 4.439 ppm2 9.358
ASSI { 64}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 16 and name H ))
2.371 0.703 0.703 peak 64 weight 1.00000E+00 volume 1.37256E+06 ppm1 4.438 ppm2 8.494
ASSI { 65}
(( segid " A" and resid 20 and name 1HB ))
(( segid " A" and resid 20 and name 2HB ))
1.864 0.434 0.434 peak 65 weight 1.00000E+00 volume 5.82337E+06 ppm1 2.397 ppm2 2.742
ASSI { 66}
(( segid " A" and resid 15 and name 1HB ))
(( segid " A" and resid 15 and name 2HB ))
1.816 0.412 0.412 peak 66 weight 1.00000E+00 volume 6.79557E+06 ppm1 3.282 ppm2 2.399
ASSI { 67}
(( segid " A" and resid 18 and name QD2 ))
(( segid " A" and resid 15 and name 1HB ))
2.761 0.953 0.953 peak 67 weight 1.00000E+00 volume 5.50748E+05 ppm1 3.279 ppm2 0.654
ASSI { 68}
(( segid " A" and resid 15 and name H ))
(( segid " A" and resid 15 and name 1HB ))
2.916 1.063 1.063 peak 68 weight 1.00000E+00 volume 3.97120E+05 ppm1 3.284 ppm2 9.368
ASSI { 69}
(( segid " A" and resid 18 and name 2HB ))
(( segid " A" and resid 18 and name HA ))
2.670 0.891 0.891 peak 69 weight 1.00000E+00 volume 6.74442E+05 ppm1 1.166 ppm2 4.692
ASSI { 70}
(( segid " A" and resid 18 and name 1HB ))
(( segid " A" and resid 18 and name 2HB ))
2.052 0.526 0.526 peak 70 weight 1.00000E+00 volume 3.27358E+06 ppm1 1.164 ppm2 1.895
ASSI { 71}
(( segid " A" and resid 18 and name QD2 ))
(( segid " A" and resid 18 and name 1HB ))
2.724 0.927 0.927 peak 71 weight 1.00000E+00 volume 5.97561E+05 ppm1 1.888 ppm2 0.656
ASSI { 72}
(( segid " A" and resid 14 and name 2HB ))
(( segid " A" and resid 18 and name 1HB ))
2.726 0.929 0.929 peak 72 weight 1.00000E+00 volume 5.94476E+05 ppm1 1.890 ppm2 2.597
ASSI { 73}
(( segid " A" and resid 20 and name 1HB ))
(( segid " A" and resid 20 and name HA ))
2.310 0.667 0.667 peak 73 weight 1.00000E+00 volume 1.60808E+06 ppm1 5.100 ppm2 2.404
ASSI { 74}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 21 and name H ))
2.031 0.516 0.516 peak 74 weight 1.00000E+00 volume 3.47463E+06 ppm1 5.101 ppm2 9.262
ASSI { 75}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 20 and name H ))
2.693 0.906 0.906 peak 75 weight 1.00000E+00 volume 6.40677E+05 ppm1 5.102 ppm2 8.562
ASSI { 76}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 26 and name HA ))
2.244 0.630 0.630 peak 76 weight 1.00000E+00 volume 1.90975E+06 ppm1 5.101 ppm2 5.496
ASSI { 77}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 23 and name 2HB ))
1.950 0.475 0.475 peak 77 weight 1.00000E+00 volume 4.44087E+06 ppm1 4.468 ppm2 3.793
ASSI { 78}
(( segid " A" and resid 21 and name H ))
(( segid " A" and resid 21 and name HA ))
2.541 0.807 0.807 peak 78 weight 1.00000E+00 volume 9.06083E+05 ppm1 4.458 ppm2 9.263
ASSI { 79}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 27 and name QE ))
2.237 0.625 0.625 peak 79 weight 1.00000E+00 volume 1.94978E+06 ppm1 4.458 ppm2 6.482
ASSI { 80}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 21 and name 1HB ))
2.511 0.788 0.788 peak 80 weight 1.00000E+00 volume 9.74895E+05 ppm1 3.795 ppm2 4.466
ASSI { 81}
(( segid " A" and resid 21 and name 1HB ))
(( segid " A" and resid 21 and name 2HB ))
1.968 0.484 0.484 peak 81 weight 1.00000E+00 volume 4.19835E+06 ppm1 3.792 ppm2 4.071
ASSI { 82}
(( segid " A" and resid 21 and name H ))
(( segid " A" and resid 21 and name 1HB ))
2.643 0.873 0.873 peak 82 weight 1.00000E+00 volume 7.16063E+05 ppm1 3.794 ppm2 9.260
ASSI { 83}
(( segid " A" and resid 21 and name 1HB ))
(( segid " A" and resid 27 and name QD ))
2.752 0.946 0.946 peak 83 weight 1.00000E+00 volume 5.62522E+05 ppm1 3.789 ppm2 7.179
ASSI { 84}
(( segid " A" and resid 27 and name QE ))
(( segid " A" and resid 21 and name 1HB ))
3.294 1.356 1.356 peak 84 weight 1.00000E+00 volume 1.91212E+05 ppm1 3.803 ppm2 6.497
ASSI { 85}
(( segid " A" and resid 24 and name 1HA ))
(( segid " A" and resid 24 and name 2HA ))
1.739 0.378 0.378 peak 85 weight 1.00000E+00 volume 8.81411E+06 ppm1 3.751 ppm2 3.915
ASSI { 86}
(( segid " A" and resid 24 and name 2HA ))
(( segid " A" and resid 24 and name H ))
2.438 0.743 0.743 peak 86 weight 1.00000E+00 volume 1.16279E+06 ppm1 3.911 ppm2 8.093
ASSI { 87}
(( segid " A" and resid 24 and name 2HA ))
(( segid " A" and resid 25 and name H ))
3.704 1.715 1.715 peak 87 weight 1.00000E+00 volume 9.45149E+04 ppm1 3.916 ppm2 7.598
ASSI { 88}
(( segid " A" and resid 25 and name 1HB ))
(( segid " A" and resid 25 and name HA ))
2.049 0.525 0.525 peak 88 weight 1.00000E+00 volume 3.30327E+06 ppm1 5.546 ppm2 2.632
OR { 88}
(( segid " A" and resid 25 and name 2HB ))
(( segid " A" and resid 25 and name HA ))
ASSI { 89}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 26 and name H ))
2.024 0.512 0.512 peak 89 weight 1.00000E+00 volume 3.55026E+06 ppm1 5.545 ppm2 9.342
ASSI { 90}
(( segid " A" and resid 8 and name H ))
(( segid " A" and resid 25 and name HA ))
2.535 0.803 0.803 peak 90 weight 1.00000E+00 volume 9.20678E+05 ppm1 5.545 ppm2 8.191
ASSI { 91}
(( segid " A" and resid 25 and name H ))
(( segid " A" and resid 25 and name HA ))
2.675 0.894 0.894 peak 91 weight 1.00000E+00 volume 6.66382E+05 ppm1 5.543 ppm2 7.606
ASSI { 92}
(( segid " A" and resid 25 and name HA ))
(( segid " A" and resid 25 and name HD2 ))
3.040 1.155 1.155 peak 92 weight 1.00000E+00 volume 3.09402E+05 ppm1 5.552 ppm2 6.784
ASSI { 93}
(( segid " A" and resid 25 and name 2HB ))
(( segid " A" and resid 25 and name H ))
3.036 1.152 1.152 peak 93 weight 1.00000E+00 volume 3.11555E+05 ppm1 2.633 ppm2 7.628
ASSI { 94}
(( segid " A" and resid 25 and name 2HB ))
(( segid " A" and resid 25 and name HA ))
2.450 0.751 0.751 peak 94 weight 1.00000E+00 volume 1.12736E+06 ppm1 2.632 ppm2 5.545
ASSI { 95}
(( segid " A" and resid 26 and name 1HB ))
(( segid " A" and resid 26 and name HA ))
2.466 0.760 0.760 peak 95 weight 1.00000E+00 volume 1.08437E+06 ppm1 5.499 ppm2 3.123
ASSI { 96}
(( segid " A" and resid 26 and name 2HB ))
(( segid " A" and resid 26 and name HA ))
2.204 0.607 0.607 peak 96 weight 1.00000E+00 volume 2.13028E+06 ppm1 5.501 ppm2 2.551
ASSI { 97}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 27 and name H ))
1.983 0.491 0.491 peak 97 weight 1.00000E+00 volume 4.02033E+06 ppm1 5.498 ppm2 10.029
ASSI { 98}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 27 and name QD ))
2.841 1.009 1.009 peak 98 weight 1.00000E+00 volume 4.64680E+05 ppm1 5.497 ppm2 7.186
ASSI { 99}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 26 and name H ))
2.302 0.662 0.662 peak 99 weight 1.00000E+00 volume 1.64187E+06 ppm1 5.504 ppm2 9.332
ASSI { 100}
(( segid " A" and resid 26 and name 2HB ))
(( segid " A" and resid 18 and name 1HB ))
6.804 5.786 5.786 peak 100 weight 1.00000E+00 volume 2.46094E+03 ppm1 2.544 ppm2 1.903
ASSI { 101}
(( segid " A" and resid 26 and name 2HB ))
(( segid " A" and resid 18 and name 2HB ))
2.766 0.956 0.956 peak 101 weight 1.00000E+00 volume 5.45337E+05 ppm1 2.541 ppm2 1.172
ASSI { 102}
(( segid " A" and resid 26 and name 1HB ))
(( segid " A" and resid 26 and name 2HB ))
1.979 0.489 0.489 peak 102 weight 1.00000E+00 volume 4.06664E+06 ppm1 2.541 ppm2 3.147
ASSI { 103}
(( segid " A" and resid 26 and name 2HB ))
(( segid " A" and resid 26 and name H ))
3.242 1.314 1.314 peak 103 weight 1.00000E+00 volume 2.10067E+05 ppm1 2.543 ppm2 9.334
ASSI { 104}
(( segid " A" and resid 26 and name 2HB ))
(( segid " A" and resid 20 and name HA ))
3.455 1.492 1.492 peak 104 weight 1.00000E+00 volume 1.43562E+05 ppm1 2.538 ppm2 5.168
ASSI { 105}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 27 and name HA ))
2.706 0.916 0.916 peak 105 weight 1.00000E+00 volume 6.21205E+05 ppm1 4.959 ppm2 3.544
ASSI { 106}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 27 and name 2HB ))
1.848 0.427 0.427 peak 106 weight 1.00000E+00 volume 6.11928E+06 ppm1 4.957 ppm2 2.995
OR { 106}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 27 and name 1HB ))
ASSI { 107}
(( segid " A" and resid 4 and name QB ))
(( segid " A" and resid 27 and name HA ))
2.705 0.914 0.914 peak 107 weight 1.00000E+00 volume 6.23411E+05 ppm1 4.958 ppm2 1.292
ASSI { 108}
(( segid " A" and resid 27 and name H ))
(( segid " A" and resid 27 and name HA ))
2.684 0.901 0.901 peak 108 weight 1.00000E+00 volume 6.52400E+05 ppm1 4.956 ppm2 10.033
ASSI { 109}
(( segid " A" and resid 5 and name H ))
(( segid " A" and resid 27 and name HA ))
3.321 1.379 1.379 peak 109 weight 1.00000E+00 volume 1.81893E+05 ppm1 4.956 ppm2 9.147
ASSI { 110}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 28 and name H ))
2.362 0.697 0.697 peak 110 weight 1.00000E+00 volume 1.40585E+06 ppm1 4.957 ppm2 8.675
ASSI { 111}
(( segid " A" and resid 27 and name HA ))
(( segid " A" and resid 27 and name 2HB ))
2.119 0.561 0.561 peak 111 weight 1.00000E+00 volume 2.69824E+06 ppm1 2.993 ppm2 4.957
ASSI { 112}
(( segid " A" and resid 27 and name H ))
(( segid " A" and resid 27 and name 2HB ))
3.002 1.126 1.126 peak 112 weight 1.00000E+00 volume 3.33531E+05 ppm1 2.993 ppm2 10.024
ASSI { 113}
(( segid " A" and resid 27 and name QD ))
(( segid " A" and resid 27 and name 2HB ))
2.193 0.601 0.601 peak 113 weight 1.00000E+00 volume 2.19688E+06 ppm1 2.993 ppm2 7.181
ASSI { 114}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 30 and name 1HD ))
3.048 1.161 1.161 peak 114 weight 1.00000E+00 volume 3.04351E+05 ppm1 4.135 ppm2 3.001
OR { 114}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 30 and name 2HD ))
ASSI { 115}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 30 and name 2HG ))
2.443 0.746 0.746 peak 115 weight 1.00000E+00 volume 1.14907E+06 ppm1 4.141 ppm2 1.338
OR { 115}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 30 and name 1HG ))
ASSI { 116}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 30 and name 2HB ))
2.940 1.080 1.080 peak 116 weight 1.00000E+00 volume 3.78259E+05 ppm1 1.502 ppm2 4.132
ASSI { 117}
(( segid " A" and resid 30 and name 2HD ))
(( segid " A" and resid 30 and name 2HB ))
3.120 1.217 1.217 peak 117 weight 1.00000E+00 volume 2.64747E+05 ppm1 1.512 ppm2 2.991
OR { 117}
(( segid " A" and resid 30 and name 1HD ))
(( segid " A" and resid 30 and name 2HB ))
ASSI { 118}
(( segid " A" and resid 30 and name HA ))
(( segid " A" and resid 30 and name 1HB ))
3.020 1.140 1.140 peak 118 weight 1.00000E+00 volume 3.21735E+05 ppm1 1.574 ppm2 4.141
ASSI { 119}
(( segid " A" and resid 18 and name QD1 ))
(( segid " A" and resid 18 and name QD2 ))
2.532 0.802 0.802 peak 119 weight 1.00000E+00 volume 9.25561E+05 ppm1 0.658 ppm2 0.244
ASSI { 120}
(( segid " A" and resid 18 and name QD2 ))
(( segid " A" and resid 3 and name 1HA ))
2.598 0.844 0.844 peak 120 weight 1.00000E+00 volume 7.93326E+05 ppm1 0.656 ppm2 4.060
ASSI { 121}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 18 and name QD2 ))
2.736 0.936 0.936 peak 121 weight 1.00000E+00 volume 5.81971E+05 ppm1 0.656 ppm2 3.534
OR { 121}
(( segid " A" and resid 18 and name QD2 ))
(( segid " A" and resid 3 and name 2HA ))
ASSI { 122}
(( segid " A" and resid 18 and name QD2 ))
(( segid " A" and resid 15 and name 2HB ))
2.551 0.813 0.813 peak 122 weight 1.00000E+00 volume 8.86120E+05 ppm1 0.660 ppm2 2.402
ASSI { 123}
(( segid " A" and resid 18 and name QD2 ))
(( segid " A" and resid 18 and name 2HB ))
2.661 0.885 0.885 peak 123 weight 1.00000E+00 volume 6.87400E+05 ppm1 0.658 ppm2 1.193
ASSI { 124}
(( segid " A" and resid 30 and name 2HD ))
(( segid " A" and resid 30 and name 1HG ))
2.792 0.975 0.975 peak 124 weight 1.00000E+00 volume 5.14830E+05 ppm1 1.312 ppm2 2.981
OR { 124}
(( segid " A" and resid 30 and name 2HD ))
(( segid " A" and resid 30 and name 2HG ))
OR { 124}
(( segid " A" and resid 30 and name 1HD ))
(( segid " A" and resid 30 and name 1HG ))
OR { 124}
(( segid " A" and resid 30 and name 1HD ))
(( segid " A" and resid 30 and name 2HG ))
ASSI { 125}
(( segid " A" and resid 29 and name 2HB ))
(( segid " A" and resid 29 and name 1HG ))
2.715 0.921 0.921 peak 125 weight 1.00000E+00 volume 6.09675E+05 ppm1 1.904 ppm2 2.153
OR { 125}
(( segid " A" and resid 29 and name 2HB ))
(( segid " A" and resid 29 and name 2HG ))
ASSI { 126}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 7 and name 2HG ))
2.993 1.120 1.120 peak 126 weight 1.00000E+00 volume 3.39782E+05 ppm1 1.350 ppm2 4.216
ASSI { 127}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name 2HB ))
1.946 0.474 0.474 peak 127 weight 1.00000E+00 volume 4.49023E+06 ppm1 3.981 ppm2 3.766
OR { 127}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name 1HB ))
ASSI { 128}
(( segid " A" and resid 16 and name H ))
(( segid " A" and resid 16 and name HA ))
2.706 0.915 0.915 peak 128 weight 1.00000E+00 volume 6.22310E+05 ppm1 3.983 ppm2 8.508
ASSI { 129}
(( segid " A" and resid 19 and name 1HB ))
(( segid " A" and resid 19 and name HA ))
2.809 0.986 0.986 peak 129 weight 1.00000E+00 volume 4.96886E+05 ppm1 2.332 ppm2 4.480
ASSI { 130}
(( segid " A" and resid 19 and name 1HB ))
(( segid " A" and resid 19 and name 2HB ))
1.927 0.464 0.464 peak 130 weight 1.00000E+00 volume 4.77158E+06 ppm1 3.079 ppm2 2.337
ASSI { 131}
(( segid " A" and resid 19 and name 2HB ))
(( segid " A" and resid 19 and name HA ))
2.526 0.797 0.797 peak 131 weight 1.00000E+00 volume 9.40079E+05 ppm1 3.080 ppm2 4.474
ASSI { 132}
(( segid " A" and resid 20 and name 2HB ))
(( segid " A" and resid 11 and name HA ))
2.658 0.883 0.883 peak 132 weight 1.00000E+00 volume 6.92849E+05 ppm1 3.655 ppm2 2.747
ASSI { 133}
(( segid " A" and resid 20 and name 1HB ))
(( segid " A" and resid 11 and name HA ))
2.368 0.701 0.701 peak 133 weight 1.00000E+00 volume 1.38427E+06 ppm1 3.656 ppm2 2.400
ASSI { 134}
(( segid " A" and resid 11 and name 1HB ))
(( segid " A" and resid 11 and name HA ))
2.261 0.639 0.639 peak 134 weight 1.00000E+00 volume 1.82746E+06 ppm1 3.656 ppm2 1.939
ASSI { 135}
(( segid " A" and resid 11 and name 2HB ))
(( segid " A" and resid 11 and name HA ))
2.473 0.765 0.765 peak 135 weight 1.00000E+00 volume 1.06624E+06 ppm1 3.655 ppm2 1.692
ASSI { 136}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 11 and name HA ))
2.846 1.013 1.013 peak 136 weight 1.00000E+00 volume 4.59147E+05 ppm1 3.659 ppm2 4.474
ASSI { 137}
(( segid " A" and resid 20 and name H ))
(( segid " A" and resid 11 and name HA ))
2.837 1.006 1.006 peak 137 weight 1.00000E+00 volume 4.68018E+05 ppm1 3.657 ppm2 8.553
ASSI { 138}
(( segid " A" and resid 14 and name H ))
(( segid " A" and resid 11 and name HA ))
3.208 1.287 1.287 peak 138 weight 1.00000E+00 volume 2.23876E+05 ppm1 3.659 ppm2 8.041
ASSI { 139}
(( segid " A" and resid 28 and name 1HB ))
(( segid " A" and resid 28 and name HA ))
2.635 0.868 0.868 peak 139 weight 1.00000E+00 volume 7.28730E+05 ppm1 2.889 ppm2 4.550
ASSI { 140}
(( segid " A" and resid 11 and name 1HB ))
(( segid " A" and resid 11 and name 1HD ))
3.073 1.180 1.180 peak 140 weight 1.00000E+00 volume 2.89837E+05 ppm1 1.189 ppm2 1.918
ASSI { 141}
(( segid " A" and resid 11 and name 2HB ))
(( segid " A" and resid 11 and name 1HD ))
2.946 1.085 1.085 peak 141 weight 1.00000E+00 volume 3.73761E+05 ppm1 1.186 ppm2 1.723
OR { 141}
(( segid " A" and resid 11 and name 2HB ))
(( segid " A" and resid 11 and name 2HD ))
ASSI { 142}
(( segid " A" and resid 30 and name 1HB ))
(( segid " A" and resid 32 and name QG2 ))
3.717 1.727 1.727 peak 142 weight 1.00000E+00 volume 9.25645E+04 ppm1 1.037 ppm2 1.573
OR { 142}
(( segid " A" and resid 30 and name 2HB ))
(( segid " A" and resid 32 and name QG2 ))
ASSI { 143}
(( segid " A" and resid 31 and name HA ))
(( segid " A" and resid 31 and name 1HB ))
2.292 0.657 0.657 peak 143 weight 1.00000E+00 volume 1.68414E+06 ppm1 4.566 ppm2 3.061
ASSI { 144}
(( segid " A" and resid 31 and name HA ))
(( segid " A" and resid 31 and name 2HB ))
2.538 0.805 0.805 peak 144 weight 1.00000E+00 volume 9.14153E+05 ppm1 4.564 ppm2 2.809
ASSI { 145}
(( segid " A" and resid 30 and name 1HB ))
(( segid " A" and resid 31 and name HA ))
3.786 1.792 1.792 peak 145 weight 1.00000E+00 volume 8.28969E+04 ppm1 4.566 ppm2 1.605
ASSI { 146}
(( segid " A" and resid 19 and name 2HB ))
(( segid " A" and resid 29 and name HA ))
4.709 2.771 2.771 peak 146 weight 1.00000E+00 volume 2.23999E+04 ppm1 4.354 ppm2 3.051
ASSI { 147}
(( segid " A" and resid 29 and name 2HB ))
(( segid " A" and resid 29 and name HA ))
2.400 0.720 0.720 peak 147 weight 1.00000E+00 volume 1.27884E+06 ppm1 4.352 ppm2 2.171
ASSI { 148}
(( segid " A" and resid 32 and name QG2 ))
(( segid " A" and resid 32 and name HA ))
2.950 1.088 1.088 peak 148 weight 1.00000E+00 volume 3.70492E+05 ppm1 4.040 ppm2 1.033
ASSI { 149}
(( segid " A" and resid 11 and name 2HB ))
(( segid " A" and resid 11 and name 2HG ))
2.974 1.106 1.106 peak 149 weight 1.00000E+00 volume 3.52576E+05 ppm1 1.184 ppm2 1.694
OR { 149}
(( segid " A" and resid 11 and name 2HB ))
(( segid " A" and resid 11 and name 1HG ))
ASSI { 150}
(( segid " A" and resid 31 and name 2HB ))
(( segid " A" and resid 31 and name QD ))
2.814 0.990 0.990 peak 150 weight 1.00000E+00 volume 4.91448E+05 ppm1 2.792 ppm2 7.021
ASSI { 151}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name 1HD ))
3.098 1.200 1.200 peak 151 weight 1.00000E+00 volume 2.75874E+05 ppm1 1.584 ppm2 4.511
OR { 151}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name 2HD ))
ASSI { 152}
(( segid " A" and resid 7 and name 2HG ))
(( segid " A" and resid 7 and name 2HD ))
1.919 0.460 0.460 peak 152 weight 1.00000E+00 volume 4.88890E+06 ppm1 1.585 ppm2 1.334
OR { 152}
(( segid " A" and resid 7 and name 2HG ))
(( segid " A" and resid 7 and name 1HD ))
ASSI { 153}
(( segid " A" and resid 29 and name 2HG ))
(( segid " A" and resid 29 and name 2HD ))
2.369 0.701 0.701 peak 153 weight 1.00000E+00 volume 1.38251E+06 ppm1 3.655 ppm2 1.895
OR { 153}
(( segid " A" and resid 29 and name 2HG ))
(( segid " A" and resid 29 and name 1HD ))
OR { 153}
(( segid " A" and resid 29 and name 1HG ))
(( segid " A" and resid 29 and name 2HD ))
OR { 153}
(( segid " A" and resid 29 and name 1HG ))
(( segid " A" and resid 29 and name 1HD ))
ASSI { 154}
(( segid " A" and resid 18 and name QD1 ))
(( segid " A" and resid 18 and name HA ))
2.508 0.786 0.786 peak 154 weight 1.00000E+00 volume 9.81260E+05 ppm1 0.253 ppm2 4.679
ASSI { 155}
(( segid " A" and resid 26 and name 2HB ))
(( segid " A" and resid 18 and name QD1 ))
3.106 1.206 1.206 peak 155 weight 1.00000E+00 volume 2.71645E+05 ppm1 0.256 ppm2 2.559
ASSI { 156}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 21 and name 2HB ))
2.519 0.793 0.793 peak 156 weight 1.00000E+00 volume 9.55445E+05 ppm1 4.067 ppm2 4.463
ASSI { 157}
(( segid " A" and resid 30 and name 2HD ))
(( segid " A" and resid 30 and name 1HB ))
2.530 0.800 0.800 peak 157 weight 1.00000E+00 volume 9.31015E+05 ppm1 2.985 ppm2 1.556
OR { 157}
(( segid " A" and resid 30 and name 1HD ))
(( segid " A" and resid 30 and name 1HB ))
ASSI { 158}
(( segid " A" and resid 30 and name 1HD ))
(( segid " A" and resid 30 and name 2HG ))
2.521 0.794 0.794 peak 158 weight 1.00000E+00 volume 9.50743E+05 ppm1 2.981 ppm2 1.366
OR { 158}
(( segid " A" and resid 30 and name 2HD ))
(( segid " A" and resid 30 and name 2HG ))
ASSI { 159}
(( segid " A" and resid 31 and name 1HB ))
(( segid " A" and resid 31 and name 2HB ))
1.806 0.407 0.407 peak 159 weight 1.00000E+00 volume 7.04579E+06 ppm1 3.057 ppm2 2.796
ASSI { 160}
(( segid " A" and resid 31 and name 1HB ))
(( segid " A" and resid 31 and name QD ))
2.821 0.995 0.995 peak 160 weight 1.00000E+00 volume 4.84473E+05 ppm1 3.056 ppm2 7.016
ASSI { 161}
(( segid " A" and resid 18 and name QD2 ))
(( segid " A" and resid 18 and name HG ))
3.062 1.172 1.172 peak 161 weight 1.00000E+00 volume 2.96240E+05 ppm1 1.056 ppm2 0.663
ASSI { 162}
(( segid " A" and resid 18 and name QD1 ))
(( segid " A" and resid 18 and name HG ))
2.444 0.747 0.747 peak 162 weight 1.00000E+00 volume 1.14490E+06 ppm1 1.047 ppm2 0.257
ASSI { 163}
(( segid " A" and resid 18 and name 1HB ))
(( segid " A" and resid 18 and name HG ))
2.537 0.804 0.804 peak 163 weight 1.00000E+00 volume 9.16048E+05 ppm1 1.050 ppm2 1.894
ASSI { 164}
(( segid " A" and resid 8 and name 1HB ))
(( segid " A" and resid 20 and name 1HB ))
3.282 1.346 1.346 peak 164 weight 1.00000E+00 volume 1.95379E+05 ppm1 3.224 ppm2 2.386
ASSI { 165}
(( segid " A" and resid 8 and name 2HB ))
(( segid " A" and resid 20 and name 1HB ))
3.315 1.374 1.374 peak 165 weight 1.00000E+00 volume 1.83807E+05 ppm1 3.055 ppm2 2.393
ASSI { 166}
(( segid " A" and resid 17 and name 1HA ))
(( segid " A" and resid 18 and name H ))
3.266 1.333 1.333 peak 166 weight 1.00000E+00 volume 2.01208E+05 ppm1 3.567 ppm2 7.711
ASSI { 167}
(( segid " A" and resid 18 and name QD1 ))
(( segid " A" and resid 19 and name H ))
3.141 1.233 1.233 peak 167 weight 1.00000E+00 volume 2.54311E+05 ppm1 0.249 ppm2 8.649
ASSI { 168}
(( segid " A" and resid 18 and name QD1 ))
(( segid " A" and resid 18 and name H ))
3.554 1.579 1.579 peak 168 weight 1.00000E+00 volume 1.21105E+05 ppm1 0.261 ppm2 7.746
ASSI { 169}
(( segid " A" and resid 21 and name H ))
(( segid " A" and resid 21 and name 2HB ))
2.978 1.109 1.109 peak 169 weight 1.00000E+00 volume 3.49811E+05 ppm1 4.065 ppm2 9.279
ASSI { 170}
(( segid " A" and resid 21 and name 2HB ))
(( segid " A" and resid 27 and name QD ))
3.135 1.229 1.229 peak 170 weight 1.00000E+00 volume 2.57075E+05 ppm1 4.066 ppm2 7.183
ASSI { 171}
(( segid " A" and resid 27 and name QE ))
(( segid " A" and resid 21 and name 2HB ))
3.449 1.487 1.487 peak 171 weight 1.00000E+00 volume 1.44978E+05 ppm1 4.068 ppm2 6.492
ASSI { 172}
(( segid " A" and resid 28 and name 2HB ))
(( segid " A" and resid 28 and name HA ))
2.741 0.939 0.939 peak 172 weight 1.00000E+00 volume 5.75448E+05 ppm1 2.970 ppm2 4.557
ASSI { 173}
(( segid " A" and resid 28 and name H ))
(( segid " A" and resid 28 and name 2HB ))
3.302 1.363 1.363 peak 173 weight 1.00000E+00 volume 1.88286E+05 ppm1 2.970 ppm2 8.658
ASSI { 174}
(( segid " A" and resid 7 and name 1HB ))
(( segid " A" and resid 8 and name HA ))
4.086 2.087 2.087 peak 174 weight 1.00000E+00 volume 5.24212E+04 ppm1 1.659 ppm2 4.715
OR { 174}
(( segid " A" and resid 7 and name 2HB ))
(( segid " A" and resid 8 and name HA ))
ASSI { 175}
(( segid " A" and resid 5 and name 2HA ))
(( segid " A" and resid 25 and name 2HB ))
2.835 1.005 1.005 peak 175 weight 1.00000E+00 volume 4.70295E+05 ppm1 2.630 ppm2 3.534
ASSI { 176}
(( segid " A" and resid 4 and name H ))
(( segid " A" and resid 3 and name 2HA ))
2.353 0.692 0.692 peak 176 weight 1.00000E+00 volume 1.43928E+06 ppm1 3.522 ppm2 8.416
ASSI { 177}
(( segid " A" and resid 3 and name 1HA ))
(( segid " A" and resid 3 and name 2HA ))
1.876 0.440 0.440 peak 177 weight 1.00000E+00 volume 5.60011E+06 ppm1 3.516 ppm2 4.061
ASSI { 178}
(( segid " A" and resid 18 and name QD2 ))
(( segid " A" and resid 3 and name 2HA ))
3.074 1.181 1.181 peak 178 weight 1.00000E+00 volume 2.89200E+05 ppm1 3.514 ppm2 0.649
ASSI { 179}
(( segid " A" and resid 18 and name QD1 ))
(( segid " A" and resid 3 and name 1HA ))
3.220 1.296 1.296 peak 179 weight 1.00000E+00 volume 2.18942E+05 ppm1 4.062 ppm2 0.257
ASSI { 180}
(( segid " A" and resid 18 and name 1HB ))
(( segid " A" and resid 19 and name H ))
3.255 1.324 1.324 peak 180 weight 1.00000E+00 volume 2.05420E+05 ppm1 1.893 ppm2 8.658
ASSI { 181}
(( segid " A" and resid 18 and name 2HB ))
(( segid " A" and resid 18 and name H ))
3.134 1.228 1.228 peak 181 weight 1.00000E+00 volume 2.57478E+05 ppm1 1.159 ppm2 7.724
ASSI { 182}
(( segid " A" and resid 18 and name 1HB ))
(( segid " A" and resid 18 and name HA ))
2.966 1.100 1.100 peak 182 weight 1.00000E+00 volume 3.58266E+05 ppm1 1.895 ppm2 4.697
ASSI { 183}
(( segid " A" and resid 18 and name QD1 ))
(( segid " A" and resid 18 and name 1HB ))
3.105 1.205 1.205 peak 183 weight 1.00000E+00 volume 2.72249E+05 ppm1 1.887 ppm2 0.253
ASSI { 184}
(( segid " A" and resid 5 and name 1HA ))
(( segid " A" and resid 6 and name H ))
2.948 1.086 1.086 peak 184 weight 1.00000E+00 volume 3.71940E+05 ppm1 4.372 ppm2 8.317
ASSI { 185}
(( segid " A" and resid 5 and name 2HA ))
(( segid " A" and resid 5 and name 1HA ))
1.804 0.407 0.407 peak 185 weight 1.00000E+00 volume 7.08711E+06 ppm1 3.536 ppm2 4.378
ASSI { 186}
(( segid " A" and resid 5 and name 1HA ))
(( segid " A" and resid 25 and name 2HB ))
3.028 1.146 1.146 peak 186 weight 1.00000E+00 volume 3.16884E+05 ppm1 4.374 ppm2 2.620
ASSI { 187}
(( segid " A" and resid 2 and name H ))
(( segid " A" and resid 2 and name 1HA ))
2.558 0.818 0.818 peak 187 weight 1.00000E+00 volume 8.70683E+05 ppm1 4.041 ppm2 8.408
OR { 187}
(( segid " A" and resid 2 and name H ))
(( segid " A" and resid 2 and name 2HA ))
ASSI { 188}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 2 and name 2HA ))
3.334 1.389 1.389 peak 188 weight 1.00000E+00 volume 1.77853E+05 ppm1 4.043 ppm2 4.484
OR { 188}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 2 and name 1HA ))
ASSI { 189}
(( segid " A" and resid 8 and name 2HB ))
(( segid " A" and resid 9 and name H ))
3.118 1.215 1.215 peak 189 weight 1.00000E+00 volume 2.65804E+05 ppm1 3.054 ppm2 9.637
ASSI { 190}
(( segid " A" and resid 8 and name 2HB ))
(( segid " A" and resid 26 and name H ))
4.175 2.179 2.179 peak 190 weight 1.00000E+00 volume 4.60612E+04 ppm1 3.053 ppm2 9.374
ASSI { 191}
(( segid " A" and resid 8 and name H ))
(( segid " A" and resid 8 and name 1HB ))
3.340 1.394 1.394 peak 191 weight 1.00000E+00 volume 1.75924E+05 ppm1 3.224 ppm2 8.187
ASSI { 192}
(( segid " A" and resid 8 and name 1HB ))
(( segid " A" and resid 13 and name H ))
3.481 1.515 1.515 peak 192 weight 1.00000E+00 volume 1.37193E+05 ppm1 3.233 ppm2 7.605
ASSI { 193}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 8 and name 2HB ))
3.319 1.377 1.377 peak 193 weight 1.00000E+00 volume 1.82627E+05 ppm1 3.053 ppm2 4.526
ASSI { 194}
(( segid " A" and resid 8 and name 1HB ))
(( segid " A" and resid 9 and name HA ))
3.304 1.365 1.365 peak 194 weight 1.00000E+00 volume 1.87535E+05 ppm1 3.235 ppm2 4.541
OR { 194}
(( segid " A" and resid 8 and name 1HB ))
(( segid " A" and resid 13 and name HA ))
ASSI { 195}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 29 and name 2HD ))
3.108 1.208 1.208 peak 195 weight 1.00000E+00 volume 2.70680E+05 ppm1 3.653 ppm2 4.342
OR { 195}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 29 and name 1HD ))
ASSI { 196}
(( segid " A" and resid 29 and name 2HB ))
(( segid " A" and resid 29 and name 2HD ))
3.626 1.644 1.644 peak 196 weight 1.00000E+00 volume 1.07325E+05 ppm1 3.648 ppm2 2.152
ASSI { 197}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 26 and name 2HB ))
2.998 1.123 1.123 peak 197 weight 1.00000E+00 volume 3.36442E+05 ppm1 3.547 ppm2 2.559
ASSI { 198}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 18 and name 1HB ))
6.260 4.898 4.898 peak 198 weight 1.00000E+00 volume 4.05650E+03 ppm1 3.551 ppm2 1.877
ASSI { 199}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 27 and name H ))
2.993 1.119 1.119 peak 199 weight 1.00000E+00 volume 3.39888E+05 ppm1 5.095 ppm2 10.043
ASSI { 200}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 25 and name HA ))
1.964 0.482 0.482 peak 200 weight 1.00000E+00 volume 4.25375E+06 ppm1 5.545 ppm2 4.494
ASSI { 201}
(( segid " A" and resid 7 and name 1HB ))
(( segid " A" and resid 25 and name HA ))
3.284 1.348 1.348 peak 201 weight 1.00000E+00 volume 1.94640E+05 ppm1 5.552 ppm2 1.637
OR { 201}
(( segid " A" and resid 7 and name 2HB ))
(( segid " A" and resid 25 and name HA ))
ASSI { 202}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 25 and name HD2 ))
3.092 1.195 1.195 peak 202 weight 1.00000E+00 volume 2.79432E+05 ppm1 4.491 ppm2 6.790
ASSI { 203}
(( segid " A" and resid 29 and name 1HB ))
(( segid " A" and resid 29 and name HA ))
2.770 0.959 0.959 peak 203 weight 1.00000E+00 volume 5.40495E+05 ppm1 1.812 ppm2 4.328
ASSI { 204}
(( segid " A" and resid 31 and name HA ))
(( segid " A" and resid 31 and name QD ))
2.613 0.853 0.853 peak 204 weight 1.00000E+00 volume 7.67779E+05 ppm1 4.568 ppm2 7.044
ASSI { 205}
(( segid " A" and resid 31 and name HA ))
(( segid " A" and resid 31 and name QE ))
4.058 2.058 2.058 peak 205 weight 1.00000E+00 volume 5.46974E+04 ppm1 4.558 ppm2 6.645
ASSI { 206}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 2 and name 2HA ))
3.179 1.263 1.263 peak 206 weight 1.00000E+00 volume 2.36673E+05 ppm1 3.640 ppm2 4.501
ASSI { 207}
(( segid " A" and resid 1 and name 2HB ))
(( segid " A" and resid 2 and name 1HA ))
4.109 2.110 2.110 peak 207 weight 1.00000E+00 volume 5.07186E+04 ppm1 4.039 ppm2 3.165
ASSI { 208}
(( segid " A" and resid 2 and name 2HA ))
(( segid " A" and resid 2 and name 1HA ))
1.862 0.433 0.433 peak 208 weight 1.00000E+00 volume 5.85995E+06 ppm1 3.638 ppm2 4.040
ASSI { 209}
(( segid " A" and resid 18 and name QD1 ))
(( segid " A" and resid 18 and name 2HB ))
2.535 0.804 0.804 peak 209 weight 1.00000E+00 volume 9.18789E+05 ppm1 0.254 ppm2 1.250
ASSI { 210}
(( segid " A" and resid 8 and name 1HB ))
(( segid " A" and resid 9 and name HA ))
3.828 1.832 1.832 peak 210 weight 1.00000E+00 volume 7.75198E+04 ppm1 4.570 ppm2 3.238
ASSI { 211}
(( segid " A" and resid 2 and name 2HA ))
(( segid " A" and resid 6 and name QB ))
2.365 0.699 0.699 peak 211 weight 1.00000E+00 volume 1.39448E+06 ppm1 1.413 ppm2 3.628
ASSI { 212}
(( segid " A" and resid 32 and name QG2 ))
(( segid " A" and resid 32 and name HB ))
2.657 0.883 0.883 peak 212 weight 1.00000E+00 volume 6.93319E+05 ppm1 1.033 ppm2 4.086
ASSI { 213}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 24 and name H ))
2.898 1.050 1.050 peak 213 weight 1.00000E+00 volume 4.11826E+05 ppm1 4.465 ppm2 8.107
ASSI { 214}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 27 and name QD ))
2.900 1.051 1.051 peak 214 weight 1.00000E+00 volume 4.10736E+05 ppm1 4.463 ppm2 7.145
ASSI { 215}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 23 and name 2HB ))
1.934 0.468 0.468 peak 215 weight 1.00000E+00 volume 4.65980E+06 ppm1 4.465 ppm2 4.087
OR { 215}
(( segid " A" and resid 21 and name HA ))
(( segid " A" and resid 21 and name 2HB ))
ASSI { 216}
(( segid " A" and resid 28 and name H ))
(( segid " A" and resid 28 and name HA ))
2.738 0.937 0.937 peak 216 weight 1.00000E+00 volume 5.79488E+05 ppm1 4.567 ppm2 8.681
ASSI { 217}
(( segid " A" and resid 28 and name HA ))
(( segid " A" and resid 29 and name H ))
2.238 0.626 0.626 peak 217 weight 1.00000E+00 volume 1.94406E+06 ppm1 4.557 ppm2 7.995
ASSI { 218}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 28 and name HA ))
3.407 1.451 1.451 peak 218 weight 1.00000E+00 volume 1.56126E+05 ppm1 4.532 ppm2 3.521
ASSI { 219}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 19 and name H ))
4.012 2.012 2.012 peak 219 weight 1.00000E+00 volume 5.84960E+04 ppm1 4.352 ppm2 8.616
ASSI { 220}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 28 and name HD2 ))
4.633 2.683 2.683 peak 220 weight 1.00000E+00 volume 2.46912E+04 ppm1 4.353 ppm2 6.947
ASSI { 221}
(( segid " A" and resid 9 and name H ))
(( segid " A" and resid 10 and name HA ))
3.314 1.373 1.373 peak 221 weight 1.00000E+00 volume 1.84258E+05 ppm1 4.579 ppm2 9.665
ASSI { 222}
(( segid " A" and resid 11 and name 1HG ))
(( segid " A" and resid 12 and name HA ))
2.781 0.967 0.967 peak 222 weight 1.00000E+00 volume 5.27180E+05 ppm1 4.195 ppm2 1.247
ASSI { 223}
(( segid " A" and resid 20 and name 1HB ))
(( segid " A" and resid 26 and name HA ))
4.257 2.266 2.266 peak 223 weight 1.00000E+00 volume 4.09916E+04 ppm1 5.498 ppm2 2.303
ASSI { 224}
(( segid " A" and resid 18 and name QD1 ))
(( segid " A" and resid 32 and name QG2 ))
3.410 1.454 1.454 peak 224 weight 1.00000E+00 volume 1.55197E+05 ppm1 1.043 ppm2 0.235
ASSI { 225}
(( segid " A" and resid 20 and name 2HB ))
(( segid " A" and resid 20 and name HA ))
3.006 1.129 1.129 peak 225 weight 1.00000E+00 volume 3.30951E+05 ppm1 2.754 ppm2 5.106
ASSI { 226}
(( segid " A" and resid 10 and name QG2 ))
(( segid " A" and resid 10 and name HA ))
2.805 0.983 0.983 peak 226 weight 1.00000E+00 volume 5.01644E+05 ppm1 1.048 ppm2 4.547
ASSI { 227}
(( segid " A" and resid 1 and name 1HB ))
(( segid " A" and resid 14 and name HA ))
3.708 1.719 1.719 peak 227 weight 1.00000E+00 volume 9.39162E+04 ppm1 2.703 ppm2 5.146
ASSI { 228}
(( segid " A" and resid 11 and name 2HB ))
(( segid " A" and resid 11 and name 1HD ))
2.424 0.735 0.735 peak 228 weight 1.00000E+00 volume 1.20222E+06 ppm1 1.683 ppm2 1.205
OR { 228}
(( segid " A" and resid 11 and name 2HB ))
(( segid " A" and resid 11 and name 1HG ))
ASSI { 229}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 11 and name 2HD ))
3.464 1.500 1.500 peak 229 weight 1.00000E+00 volume 1.41209E+05 ppm1 1.227 ppm2 4.483
ASSI { 230}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 11 and name 1HD ))
3.558 1.582 1.582 peak 230 weight 1.00000E+00 volume 1.20405E+05 ppm1 1.185 ppm2 4.510
ASSI { 231}
(( segid " A" and resid 11 and name 1HB ))
(( segid " A" and resid 11 and name 2HD ))
2.975 1.107 1.107 peak 231 weight 1.00000E+00 volume 3.51901E+05 ppm1 1.242 ppm2 1.932
ASSI { 232}
(( segid " A" and resid 11 and name 2HB ))
(( segid " A" and resid 11 and name 2HD ))
2.953 1.090 1.090 peak 232 weight 1.00000E+00 volume 3.67965E+05 ppm1 1.232 ppm2 1.714
ASSI { 233}
(( segid " A" and resid 10 and name HA ))
(( segid " A" and resid 10 and name HB ))
2.152 0.579 0.579 peak 233 weight 1.00000E+00 volume 2.45760E+06 ppm1 4.314 ppm2 4.591
ASSI { 234}
(( segid " A" and resid 11 and name 2HB ))
(( segid " A" and resid 10 and name HB ))
3.882 1.884 1.884 peak 234 weight 1.00000E+00 volume 7.13518E+04 ppm1 4.312 ppm2 1.721
ASSI { 235}
(( segid " A" and resid 10 and name QG2 ))
(( segid " A" and resid 10 and name HB ))
2.141 0.573 0.573 peak 235 weight 1.00000E+00 volume 2.53192E+06 ppm1 4.312 ppm2 1.066
ASSI { 1}
(( segid " A" and resid 19 and name HE1 ))
(( segid " A" and resid 19 and name HD1 ))
3.059 1.170 1.170 peak 1 weight 1.00000E+00 volume 7.68667E+05 ppm1 10.103 ppm2 7.067
ASSI { 2}
(( segid " A" and resid 19 and name HE1 ))
(( segid " A" and resid 19 and name HZ2 ))
3.584 1.605 1.605 peak 2 weight 1.00000E+00 volume 2.97517E+05 ppm1 10.103 ppm2 7.379
ASSI { 3}
(( segid " A" and resid 29 and name 2HG ))
(( segid " A" and resid 30 and name H ))
2.911 1.059 1.059 peak 3 weight 1.00000E+00 volume 1.03510E+06 ppm1 8.243 ppm2 1.927
OR { 3}
(( segid " A" and resid 29 and name 1HG ))
(( segid " A" and resid 30 and name H ))
ASSI { 5}
(( segid " A" and resid 30 and name 1HG ))
(( segid " A" and resid 30 and name H ))
3.327 1.383 1.383 peak 5 weight 1.00000E+00 volume 4.65008E+05 ppm1 8.244 ppm2 1.312
OR { 5}
(( segid " A" and resid 30 and name 2HG ))
(( segid " A" and resid 30 and name H ))
ASSI { 6}
(( segid " A" and resid 17 and name 2HA ))
(( segid " A" and resid 30 and name H ))
2.519 0.793 0.793 peak 6 weight 1.00000E+00 volume 2.46832E+06 ppm1 8.250 ppm2 4.219
ASSI { 7}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 29 and name H ))
2.441 0.745 0.745 peak 7 weight 1.00000E+00 volume 2.97980E+06 ppm1 7.993 ppm2 4.673
ASSI { 8}
(( segid " A" and resid 28 and name 1HB ))
(( segid " A" and resid 29 and name H ))
3.295 1.357 1.357 peak 8 weight 1.00000E+00 volume 4.92347E+05 ppm1 7.994 ppm2 2.953
OR { 8}
(( segid " A" and resid 28 and name 2HB ))
(( segid " A" and resid 29 and name H ))
ASSI { 9}
(( segid " A" and resid 29 and name H ))
(( segid " A" and resid 19 and name HD1 ))
3.630 1.647 1.647 peak 9 weight 1.00000E+00 volume 2.75248E+05 ppm1 7.990 ppm2 7.075
ASSI { 10}
(( segid " A" and resid 29 and name HA ))
(( segid " A" and resid 30 and name H ))
2.643 0.873 0.873 peak 10 weight 1.00000E+00 volume 1.84749E+06 ppm1 8.256 ppm2 4.347
ASSI { 11}
(( segid " A" and resid 29 and name 2HD ))
(( segid " A" and resid 30 and name H ))
4.626 2.676 2.676 peak 11 weight 1.00000E+00 volume 6.42551E+04 ppm1 8.240 ppm2 3.728
OR { 11}
(( segid " A" and resid 29 and name 1HD ))
(( segid " A" and resid 30 and name H ))
ASSI { 12}
(( segid " A" and resid 31 and name HA ))
(( segid " A" and resid 32 and name H ))
2.481 0.769 0.769 peak 12 weight 1.00000E+00 volume 2.70411E+06 ppm1 7.636 ppm2 4.583
ASSI { 13}
(( segid " A" and resid 31 and name 1HB ))
(( segid " A" and resid 32 and name H ))
3.417 1.459 1.459 peak 13 weight 1.00000E+00 volume 3.96057E+05 ppm1 7.635 ppm2 3.056
ASSI { 14}
(( segid " A" and resid 31 and name 2HB ))
(( segid " A" and resid 32 and name H ))
3.532 1.559 1.559 peak 14 weight 1.00000E+00 volume 3.24584E+05 ppm1 7.637 ppm2 2.782
ASSI { 15}
(( segid " A" and resid 30 and name 2HB ))
(( segid " A" and resid 32 and name H ))
5.974 4.461 4.461 peak 15 weight 1.00000E+00 volume 1.38613E+04 ppm1 7.626 ppm2 1.459
ASSI { 16}
(( segid " A" and resid 32 and name QG2 ))
(( segid " A" and resid 32 and name H ))
3.915 1.916 1.916 peak 16 weight 1.00000E+00 volume 1.74904E+05 ppm1 7.631 ppm2 1.036
ASSI { 17}
(( segid " A" and resid 32 and name HA ))
(( segid " A" and resid 32 and name H ))
3.087 1.191 1.191 peak 17 weight 1.00000E+00 volume 7.27666E+05 ppm1 7.634 ppm2 4.056
ASSI { 18}
(( segid " A" and resid 27 and name 2HB ))
(( segid " A" and resid 28 and name H ))
2.544 0.809 0.809 peak 18 weight 1.00000E+00 volume 2.32274E+06 ppm1 8.673 ppm2 2.983
ASSI { 19}
(( segid " A" and resid 19 and name H ))
(( segid " A" and resid 19 and name HD1 ))
3.137 1.230 1.230 peak 19 weight 1.00000E+00 volume 6.60827E+05 ppm1 8.659 ppm2 7.074
ASSI { 20}
(( segid " A" and resid 27 and name H ))
(( segid " A" and resid 27 and name 1HB ))
2.906 1.056 1.056 peak 20 weight 1.00000E+00 volume 1.04607E+06 ppm1 10.025 ppm2 2.996
ASSI { 21}
(( segid " A" and resid 26 and name 2HB ))
(( segid " A" and resid 27 and name H ))
3.095 1.198 1.198 peak 21 weight 1.00000E+00 volume 7.16406E+05 ppm1 10.027 ppm2 2.549
ASSI { 22}
(( segid " A" and resid 18 and name 1HB ))
(( segid " A" and resid 27 and name H ))
3.669 1.683 1.683 peak 22 weight 1.00000E+00 volume 2.58385E+05 ppm1 10.031 ppm2 1.883
ASSI { 23}
(( segid " A" and resid 18 and name 2HB ))
(( segid " A" and resid 27 and name H ))
3.184 1.268 1.268 peak 23 weight 1.00000E+00 volume 6.04326E+05 ppm1 10.027 ppm2 1.150
ASSI { 24}
(( segid " A" and resid 18 and name QD1 ))
(( segid " A" and resid 27 and name H ))
3.599 1.619 1.619 peak 24 weight 1.00000E+00 volume 2.89734E+05 ppm1 10.028 ppm2 0.245
ASSI { 25}
(( segid " A" and resid 27 and name QD ))
(( segid " A" and resid 27 and name H ))
2.661 0.885 0.885 peak 25 weight 1.00000E+00 volume 1.77553E+06 ppm1 10.026 ppm2 7.174
ASSI { 26}
(( segid " A" and resid 27 and name QE ))
(( segid " A" and resid 27 and name H ))
4.156 2.159 2.159 peak 26 weight 1.00000E+00 volume 1.22213E+05 ppm1 10.029 ppm2 6.465
ASSI { 27}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 26 and name H ))
3.396 1.441 1.441 peak 27 weight 1.00000E+00 volume 4.11005E+05 ppm1 9.348 ppm2 4.504
ASSI { 28}
(( segid " A" and resid 5 and name 2HA ))
(( segid " A" and resid 26 and name H ))
3.568 1.591 1.591 peak 28 weight 1.00000E+00 volume 3.05311E+05 ppm1 9.344 ppm2 3.543
ASSI { 29}
(( segid " A" and resid 26 and name 1HB ))
(( segid " A" and resid 26 and name H ))
2.542 0.808 0.808 peak 29 weight 1.00000E+00 volume 2.33297E+06 ppm1 9.346 ppm2 3.146
ASSI { 30}
(( segid " A" and resid 25 and name 2HB ))
(( segid " A" and resid 26 and name H ))
2.616 0.855 0.855 peak 30 weight 1.00000E+00 volume 1.96798E+06 ppm1 9.346 ppm2 2.622
ASSI { 31}
(( segid " A" and resid 6 and name QB ))
(( segid " A" and resid 26 and name H ))
3.411 1.455 1.455 peak 31 weight 1.00000E+00 volume 3.99722E+05 ppm1 9.347 ppm2 1.391
ASSI { 32}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 26 and name H ))
4.541 2.577 2.577 peak 32 weight 1.00000E+00 volume 7.19083E+04 ppm1 9.351 ppm2 5.097
ASSI { 33}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 25 and name H ))
3.606 1.625 1.625 peak 33 weight 1.00000E+00 volume 2.86603E+05 ppm1 7.608 ppm2 4.459
OR { 33}
(( segid " A" and resid 23 and name HA ))
(( segid " A" and resid 25 and name H ))
ASSI { 34}
(( segid " A" and resid 21 and name 2HB ))
(( segid " A" and resid 25 and name H ))
3.743 1.752 1.752 peak 34 weight 1.00000E+00 volume 2.29034E+05 ppm1 7.609 ppm2 4.076
ASSI { 35}
(( segid " A" and resid 24 and name 1HA ))
(( segid " A" and resid 25 and name H ))
2.809 0.987 0.987 peak 35 weight 1.00000E+00 volume 1.28171E+06 ppm1 7.607 ppm2 3.766
ASSI { 36}
(( segid " A" and resid 25 and name 1HB ))
(( segid " A" and resid 25 and name H ))
2.714 0.921 0.921 peak 36 weight 1.00000E+00 volume 1.57549E+06 ppm1 7.605 ppm2 2.631
ASSI { 37}
(( segid " A" and resid 21 and name H ))
(( segid " A" and resid 25 and name H ))
2.955 1.091 1.091 peak 37 weight 1.00000E+00 volume 9.46656E+05 ppm1 7.611 ppm2 9.255
ASSI { 38}
(( segid " A" and resid 24 and name H ))
(( segid " A" and resid 25 and name H ))
2.693 0.906 0.906 peak 38 weight 1.00000E+00 volume 1.65270E+06 ppm1 7.608 ppm2 8.070
ASSI { 39}
(( segid " A" and resid 24 and name 1HA ))
(( segid " A" and resid 24 and name H ))
2.352 0.692 0.692 peak 39 weight 1.00000E+00 volume 3.71882E+06 ppm1 8.076 ppm2 3.753
ASSI { 40}
(( segid " A" and resid 20 and name 1HB ))
(( segid " A" and resid 21 and name H ))
3.925 1.926 1.926 peak 40 weight 1.00000E+00 volume 1.72339E+05 ppm1 9.262 ppm2 2.390
ASSI { 41}
(( segid " A" and resid 21 and name H ))
(( segid " A" and resid 27 and name QD ))
2.979 1.109 1.109 peak 41 weight 1.00000E+00 volume 9.02055E+05 ppm1 9.262 ppm2 7.163
ASSI { 42}
(( segid " A" and resid 21 and name H ))
(( segid " A" and resid 27 and name QE ))
3.678 1.691 1.691 peak 42 weight 1.00000E+00 volume 2.54632E+05 ppm1 9.265 ppm2 6.481
ASSI { 43}
(( segid " A" and resid 21 and name H ))
(( segid " A" and resid 26 and name HA ))
3.328 1.385 1.385 peak 43 weight 1.00000E+00 volume 4.63469E+05 ppm1 9.261 ppm2 5.489
ASSI { 44}
(( segid " A" and resid 20 and name H ))
(( segid " A" and resid 19 and name HA ))
2.513 0.789 0.789 peak 44 weight 1.00000E+00 volume 2.50134E+06 ppm1 8.556 ppm2 4.459
ASSI { 45}
(( segid " A" and resid 20 and name H ))
(( segid " A" and resid 19 and name 2HB ))
2.612 0.853 0.853 peak 45 weight 1.00000E+00 volume 1.98384E+06 ppm1 8.556 ppm2 3.078
ASSI { 46}
(( segid " A" and resid 20 and name 2HB ))
(( segid " A" and resid 20 and name H ))
2.782 0.967 0.967 peak 46 weight 1.00000E+00 volume 1.36000E+06 ppm1 8.556 ppm2 2.747
ASSI { 47}
(( segid " A" and resid 20 and name 1HB ))
(( segid " A" and resid 20 and name H ))
2.709 0.918 0.918 peak 47 weight 1.00000E+00 volume 1.59249E+06 ppm1 8.559 ppm2 2.374
ASSI { 48}
(( segid " A" and resid 11 and name 1HB ))
(( segid " A" and resid 20 and name H ))
3.757 1.764 1.764 peak 48 weight 1.00000E+00 volume 2.24099E+05 ppm1 8.556 ppm2 1.931
ASSI { 49}
(( segid " A" and resid 11 and name 2HB ))
(( segid " A" and resid 20 and name H ))
3.822 1.826 1.826 peak 49 weight 1.00000E+00 volume 2.02054E+05 ppm1 8.552 ppm2 1.690
ASSI { 50}
(( segid " A" and resid 11 and name 2HG ))
(( segid " A" and resid 20 and name H ))
3.351 1.404 1.404 peak 50 weight 1.00000E+00 volume 4.44806E+05 ppm1 8.556 ppm2 1.196
OR { 50}
(( segid " A" and resid 11 and name 1HG ))
(( segid " A" and resid 20 and name H ))
ASSI { 51}
(( segid " A" and resid 20 and name H ))
(( segid " A" and resid 27 and name QE ))
3.841 1.844 1.844 peak 51 weight 1.00000E+00 volume 1.96316E+05 ppm1 8.559 ppm2 6.481
ASSI { 52}
(( segid " A" and resid 21 and name H ))
(( segid " A" and resid 20 and name H ))
4.692 2.752 2.752 peak 52 weight 1.00000E+00 volume 5.90300E+04 ppm1 8.562 ppm2 9.242
ASSI { 53}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 18 and name H ))
2.626 0.862 0.862 peak 53 weight 1.00000E+00 volume 1.92364E+06 ppm1 7.732 ppm2 4.690
ASSI { 54}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 18 and name H ))
3.897 1.898 1.898 peak 54 weight 1.00000E+00 volume 1.79936E+05 ppm1 7.729 ppm2 4.470
ASSI { 55}
(( segid " A" and resid 17 and name 2HA ))
(( segid " A" and resid 18 and name H ))
3.144 1.235 1.235 peak 55 weight 1.00000E+00 volume 6.52970E+05 ppm1 7.733 ppm2 4.228
ASSI { 56}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 18 and name H ))
3.386 1.433 1.433 peak 56 weight 1.00000E+00 volume 4.18254E+05 ppm1 7.731 ppm2 3.987
ASSI { 57}
(( segid " A" and resid 14 and name 1HB ))
(( segid " A" and resid 18 and name H ))
3.582 1.604 1.604 peak 57 weight 1.00000E+00 volume 2.98333E+05 ppm1 7.732 ppm2 3.050
ASSI { 58}
(( segid " A" and resid 18 and name 1HB ))
(( segid " A" and resid 18 and name H ))
2.553 0.815 0.815 peak 58 weight 1.00000E+00 volume 2.27643E+06 ppm1 7.732 ppm2 1.890
ASSI { 59}
(( segid " A" and resid 18 and name QD2 ))
(( segid " A" and resid 18 and name H ))
3.072 1.180 1.180 peak 59 weight 1.00000E+00 volume 7.49542E+05 ppm1 7.732 ppm2 0.643
ASSI { 60}
(( segid " A" and resid 16 and name H ))
(( segid " A" and resid 18 and name H ))
4.416 2.438 2.438 peak 60 weight 1.00000E+00 volume 8.49125E+04 ppm1 7.731 ppm2 8.500
ASSI { 61}
(( segid " A" and resid 16 and name H ))
(( segid " A" and resid 16 and name 2HB ))
2.727 0.930 0.930 peak 61 weight 1.00000E+00 volume 1.53089E+06 ppm1 8.505 ppm2 3.754
OR { 61}
(( segid " A" and resid 16 and name H ))
(( segid " A" and resid 16 and name 1HB ))
ASSI { 62}
(( segid " A" and resid 15 and name 1HB ))
(( segid " A" and resid 16 and name H ))
2.905 1.055 1.055 peak 62 weight 1.00000E+00 volume 1.04771E+06 ppm1 8.506 ppm2 3.287
ASSI { 63}
(( segid " A" and resid 1 and name 1HB ))
(( segid " A" and resid 16 and name H ))
3.878 1.880 1.880 peak 63 weight 1.00000E+00 volume 1.85241E+05 ppm1 8.506 ppm2 2.678
ASSI { 64}
(( segid " A" and resid 15 and name 2HB ))
(( segid " A" and resid 16 and name H ))
3.396 1.441 1.441 peak 64 weight 1.00000E+00 volume 4.11079E+05 ppm1 8.505 ppm2 2.398
ASSI { 65}
(( segid " A" and resid 2 and name 2HA ))
(( segid " A" and resid 15 and name H ))
3.469 1.505 1.505 peak 65 weight 1.00000E+00 volume 3.61256E+05 ppm1 9.361 ppm2 4.039
ASSI { 66}
(( segid " A" and resid 14 and name 1HB ))
(( segid " A" and resid 15 and name H ))
2.635 0.868 0.868 peak 66 weight 1.00000E+00 volume 1.88138E+06 ppm1 9.360 ppm2 3.044
ASSI { 67}
(( segid " A" and resid 1 and name 1HB ))
(( segid " A" and resid 15 and name H ))
2.799 0.980 0.980 peak 67 weight 1.00000E+00 volume 1.30900E+06 ppm1 9.360 ppm2 2.671
ASSI { 68}
(( segid " A" and resid 15 and name H ))
(( segid " A" and resid 15 and name 2HB ))
2.586 0.836 0.836 peak 68 weight 1.00000E+00 volume 2.10803E+06 ppm1 9.361 ppm2 2.400
ASSI { 69}
(( segid " A" and resid 15 and name H ))
(( segid " A" and resid 18 and name 1HB ))
3.362 1.412 1.412 peak 69 weight 1.00000E+00 volume 4.36692E+05 ppm1 9.362 ppm2 1.882
ASSI { 70}
(( segid " A" and resid 15 and name H ))
(( segid " A" and resid 18 and name 2HB ))
3.730 1.739 1.739 peak 70 weight 1.00000E+00 volume 2.34064E+05 ppm1 9.362 ppm2 1.140
ASSI { 71}
(( segid " A" and resid 18 and name QD2 ))
(( segid " A" and resid 15 and name H ))
2.805 0.983 0.983 peak 71 weight 1.00000E+00 volume 1.29494E+06 ppm1 9.358 ppm2 0.649
ASSI { 72}
(( segid " A" and resid 2 and name H ))
(( segid " A" and resid 15 and name H ))
3.058 1.169 1.169 peak 72 weight 1.00000E+00 volume 7.69777E+05 ppm1 9.361 ppm2 8.431
ASSI { 73}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 15 and name H ))
2.281 0.651 0.651 peak 73 weight 1.00000E+00 volume 4.46956E+06 ppm1 9.358 ppm2 5.163
ASSI { 74}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 14 and name H ))
3.425 1.466 1.466 peak 74 weight 1.00000E+00 volume 3.90668E+05 ppm1 8.026 ppm2 4.187
ASSI { 75}
(( segid " A" and resid 14 and name H ))
(( segid " A" and resid 14 and name 1HB ))
3.047 1.161 1.161 peak 75 weight 1.00000E+00 volume 7.86832E+05 ppm1 8.029 ppm2 3.039
ASSI { 76}
(( segid " A" and resid 13 and name 1HB ))
(( segid " A" and resid 14 and name H ))
3.158 1.247 1.247 peak 76 weight 1.00000E+00 volume 6.35414E+05 ppm1 8.028 ppm2 2.854
ASSI { 77}
(( segid " A" and resid 14 and name H ))
(( segid " A" and resid 14 and name 2HB ))
2.563 0.821 0.821 peak 77 weight 1.00000E+00 volume 2.22348E+06 ppm1 8.026 ppm2 2.627
ASSI { 78}
(( segid " A" and resid 12 and name 1HB ))
(( segid " A" and resid 13 and name H ))
3.320 1.378 1.378 peak 78 weight 1.00000E+00 volume 4.70748E+05 ppm1 7.581 ppm2 3.771
OR { 78}
(( segid " A" and resid 12 and name 2HB ))
(( segid " A" and resid 13 and name H ))
ASSI { 79}
(( segid " A" and resid 13 and name H ))
(( segid " A" and resid 13 and name 2HB ))
2.466 0.760 0.760 peak 79 weight 1.00000E+00 volume 2.79953E+06 ppm1 7.583 ppm2 2.849
OR { 79}
(( segid " A" and resid 13 and name 1HB ))
(( segid " A" and resid 13 and name H ))
ASSI { 80}
(( segid " A" and resid 13 and name H ))
(( segid " A" and resid 14 and name H ))
2.617 0.856 0.856 peak 80 weight 1.00000E+00 volume 1.96125E+06 ppm1 7.578 ppm2 8.029
ASSI { 81}
(( segid " A" and resid 10 and name H ))
(( segid " A" and resid 10 and name HB ))
3.755 1.763 1.763 peak 81 weight 1.00000E+00 volume 2.24768E+05 ppm1 7.923 ppm2 4.317
ASSI { 82}
(( segid " A" and resid 9 and name 2HB ))
(( segid " A" and resid 10 and name H ))
2.920 1.066 1.066 peak 82 weight 1.00000E+00 volume 1.01691E+06 ppm1 7.922 ppm2 3.804
ASSI { 83}
(( segid " A" and resid 8 and name 1HB ))
(( segid " A" and resid 10 and name H ))
3.149 1.240 1.240 peak 83 weight 1.00000E+00 volume 6.46165E+05 ppm1 7.921 ppm2 3.240
ASSI { 84}
(( segid " A" and resid 8 and name 2HB ))
(( segid " A" and resid 10 and name H ))
3.622 1.640 1.640 peak 84 weight 1.00000E+00 volume 2.78910E+05 ppm1 7.921 ppm2 3.061
ASSI { 85}
(( segid " A" and resid 10 and name H ))
(( segid " A" and resid 20 and name 1HB ))
4.268 2.276 2.276 peak 85 weight 1.00000E+00 volume 1.04320E+05 ppm1 7.925 ppm2 2.398
ASSI { 86}
(( segid " A" and resid 10 and name H ))
(( segid " A" and resid 10 and name QG2 ))
3.103 1.204 1.204 peak 86 weight 1.00000E+00 volume 7.05494E+05 ppm1 7.921 ppm2 1.062
ASSI { 87}
(( segid " A" and resid 9 and name H ))
(( segid " A" and resid 10 and name H ))
2.427 0.736 0.736 peak 87 weight 1.00000E+00 volume 3.08504E+06 ppm1 7.922 ppm2 9.631
ASSI { 88}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 9 and name H ))
2.446 0.748 0.748 peak 88 weight 1.00000E+00 volume 2.94237E+06 ppm1 9.633 ppm2 4.741
ASSI { 89}
(( segid " A" and resid 8 and name H ))
(( segid " A" and resid 8 and name HA ))
2.908 1.057 1.057 peak 89 weight 1.00000E+00 volume 1.04266E+06 ppm1 8.183 ppm2 4.742
ASSI { 90}
(( segid " A" and resid 8 and name H ))
(( segid " A" and resid 24 and name 2HA ))
3.454 1.491 1.491 peak 90 weight 1.00000E+00 volume 3.71190E+05 ppm1 8.180 ppm2 3.896
ASSI { 91}
(( segid " A" and resid 8 and name H ))
(( segid " A" and resid 24 and name 1HA ))
3.349 1.402 1.402 peak 91 weight 1.00000E+00 volume 4.46706E+05 ppm1 8.182 ppm2 3.768
ASSI { 92}
(( segid " A" and resid 8 and name H ))
(( segid " A" and resid 8 and name 2HB ))
3.275 1.341 1.341 peak 92 weight 1.00000E+00 volume 5.10799E+05 ppm1 8.183 ppm2 3.056
ASSI { 93}
(( segid " A" and resid 8 and name H ))
(( segid " A" and resid 13 and name 1HB ))
4.020 2.021 2.021 peak 93 weight 1.00000E+00 volume 1.49193E+05 ppm1 8.183 ppm2 2.865
OR { 93}
(( segid " A" and resid 8 and name H ))
(( segid " A" and resid 13 and name 2HB ))
ASSI { 94}
(( segid " A" and resid 7 and name 1HB ))
(( segid " A" and resid 8 and name H ))
2.724 0.927 0.927 peak 94 weight 1.00000E+00 volume 1.54288E+06 ppm1 8.184 ppm2 1.651
ASSI { 95}
(( segid " A" and resid 8 and name H ))
(( segid " A" and resid 7 and name 1HG ))
3.315 1.374 1.374 peak 95 weight 1.00000E+00 volume 4.74921E+05 ppm1 8.178 ppm2 1.460
ASSI { 96}
(( segid " A" and resid 8 and name H ))
(( segid " A" and resid 26 and name H ))
3.945 1.946 1.946 peak 96 weight 1.00000E+00 volume 1.67057E+05 ppm1 8.179 ppm2 9.343
ASSI { 97}
(( segid " A" and resid 7 and name H ))
(( segid " A" and resid 7 and name HA ))
2.761 0.953 0.953 peak 97 weight 1.00000E+00 volume 1.42225E+06 ppm1 8.337 ppm2 4.505
ASSI { 98}
(( segid " A" and resid 7 and name H ))
(( segid " A" and resid 7 and name 2HB ))
2.285 0.653 0.653 peak 98 weight 1.00000E+00 volume 4.42966E+06 ppm1 8.335 ppm2 1.650
ASSI { 99}
(( segid " A" and resid 6 and name QB ))
(( segid " A" and resid 7 and name H ))
2.413 0.728 0.728 peak 99 weight 1.00000E+00 volume 3.18954E+06 ppm1 8.336 ppm2 1.421
ASSI { 100}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name H ))
2.646 0.875 0.875 peak 100 weight 1.00000E+00 volume 1.83590E+06 ppm1 8.308 ppm2 4.254
ASSI { 101}
(( segid " A" and resid 5 and name 2HA ))
(( segid " A" and resid 6 and name H ))
2.755 0.949 0.949 peak 101 weight 1.00000E+00 volume 1.44072E+06 ppm1 8.306 ppm2 3.532
ASSI { 102}
(( segid " A" and resid 26 and name 1HB ))
(( segid " A" and resid 6 and name H ))
2.694 0.907 0.907 peak 102 weight 1.00000E+00 volume 1.64960E+06 ppm1 8.309 ppm2 3.149
ASSI { 103}
(( segid " A" and resid 26 and name 2HB ))
(( segid " A" and resid 6 and name H ))
3.218 1.295 1.295 peak 103 weight 1.00000E+00 volume 5.66936E+05 ppm1 8.308 ppm2 2.540
ASSI { 104}
(( segid " A" and resid 5 and name H ))
(( segid " A" and resid 6 and name H ))
2.568 0.824 0.824 peak 104 weight 1.00000E+00 volume 2.19736E+06 ppm1 8.307 ppm2 9.160
ASSI { 105}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 5 and name H ))
2.070 0.536 0.536 peak 105 weight 1.00000E+00 volume 8.01109E+06 ppm1 9.160 ppm2 3.546
OR { 105}
(( segid " A" and resid 5 and name H ))
(( segid " A" and resid 5 and name 2HA ))
ASSI { 106}
(( segid " A" and resid 26 and name 1HB ))
(( segid " A" and resid 5 and name H ))
3.044 1.158 1.158 peak 106 weight 1.00000E+00 volume 7.91770E+05 ppm1 9.159 ppm2 3.127
ASSI { 107}
(( segid " A" and resid 26 and name 2HB ))
(( segid " A" and resid 5 and name H ))
3.393 1.439 1.439 peak 107 weight 1.00000E+00 volume 4.13316E+05 ppm1 9.162 ppm2 2.582
OR { 107}
(( segid " A" and resid 5 and name H ))
(( segid " A" and resid 25 and name 2HB ))
ASSI { 108}
(( segid " A" and resid 4 and name QB ))
(( segid " A" and resid 5 and name H ))
2.870 1.030 1.030 peak 108 weight 1.00000E+00 volume 1.12653E+06 ppm1 9.161 ppm2 1.295
ASSI { 109}
(( segid " A" and resid 18 and name QD1 ))
(( segid " A" and resid 5 and name H ))
4.028 2.028 2.028 peak 109 weight 1.00000E+00 volume 1.47545E+05 ppm1 9.159 ppm2 0.241
ASSI { 110}
(( segid " A" and resid 4 and name H ))
(( segid " A" and resid 3 and name 1HA ))
2.459 0.756 0.756 peak 110 weight 1.00000E+00 volume 2.85053E+06 ppm1 8.423 ppm2 4.056
ASSI { 111}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name H ))
2.199 0.604 0.604 peak 111 weight 1.00000E+00 volume 5.57324E+06 ppm1 8.423 ppm2 3.528
OR { 111}
(( segid " A" and resid 4 and name H ))
(( segid " A" and resid 3 and name 2HA ))
ASSI { 112}
(( segid " A" and resid 4 and name QB ))
(( segid " A" and resid 4 and name H ))
2.190 0.599 0.599 peak 112 weight 1.00000E+00 volume 5.71750E+06 ppm1 8.423 ppm2 1.291
ASSI { 113}
(( segid " A" and resid 18 and name QD2 ))
(( segid " A" and resid 4 and name H ))
2.880 1.037 1.037 peak 113 weight 1.00000E+00 volume 1.10353E+06 ppm1 8.423 ppm2 0.653
ASSI { 114}
(( segid " A" and resid 18 and name QD1 ))
(( segid " A" and resid 4 and name H ))
2.978 1.109 1.109 peak 114 weight 1.00000E+00 volume 9.02520E+05 ppm1 8.423 ppm2 0.255
ASSI { 115}
(( segid " A" and resid 5 and name H ))
(( segid " A" and resid 4 and name H ))
3.766 1.773 1.773 peak 115 weight 1.00000E+00 volume 2.20968E+05 ppm1 8.421 ppm2 9.169
ASSI { 116}
(( segid " A" and resid 3 and name H ))
(( segid " A" and resid 3 and name 1HA ))
2.132 0.568 0.568 peak 116 weight 1.00000E+00 volume 6.71753E+06 ppm1 8.238 ppm2 4.041
ASSI { 117}
(( segid " A" and resid 3 and name H ))
(( segid " A" and resid 3 and name 2HA ))
2.289 0.655 0.655 peak 117 weight 1.00000E+00 volume 4.37498E+06 ppm1 8.241 ppm2 3.528
ASSI { 118}
(( segid " A" and resid 3 and name H ))
(( segid " A" and resid 6 and name QB ))
2.611 0.852 0.852 peak 118 weight 1.00000E+00 volume 1.98770E+06 ppm1 8.239 ppm2 1.398
ASSI { 119}
(( segid " A" and resid 3 and name H ))
(( segid " A" and resid 18 and name QD2 ))
3.963 1.963 1.963 peak 119 weight 1.00000E+00 volume 1.62650E+05 ppm1 8.240 ppm2 0.666
ASSI { 120}
(( segid " A" and resid 2 and name H ))
(( segid " A" and resid 3 and name H ))
2.975 1.106 1.106 peak 120 weight 1.00000E+00 volume 9.09114E+05 ppm1 8.235 ppm2 8.441
ASSI { 121}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 2 and name H ))
2.337 0.682 0.682 peak 121 weight 1.00000E+00 volume 3.87247E+06 ppm1 8.424 ppm2 4.499
ASSI { 122}
(( segid " A" and resid 2 and name H ))
(( segid " A" and resid 2 and name 1HA ))
2.762 0.954 0.954 peak 122 weight 1.00000E+00 volume 1.41902E+06 ppm1 8.422 ppm2 4.035
ASSI { 123}
(( segid " A" and resid 2 and name H ))
(( segid " A" and resid 1 and name 2HB ))
2.982 1.111 1.111 peak 123 weight 1.00000E+00 volume 8.96217E+05 ppm1 8.418 ppm2 3.089
ASSI { 124}
(( segid " A" and resid 2 and name H ))
(( segid " A" and resid 6 and name QB ))
3.581 1.603 1.603 peak 124 weight 1.00000E+00 volume 2.98602E+05 ppm1 8.419 ppm2 1.413
ASSI { 125}
(( segid " A" and resid 14 and name H ))
(( segid " A" and resid 15 and name H ))
4.295 2.305 2.305 peak 125 weight 1.00000E+00 volume 1.00439E+05 ppm1 8.023 ppm2 9.335
ASSI { 126}
(( segid " A" and resid 25 and name 1HB ))
(( segid " A" and resid 24 and name H ))
6.026 4.540 4.540 peak 126 weight 1.00000E+00 volume 1.31535E+04 ppm1 8.072 ppm2 2.674
OR { 126}
(( segid " A" and resid 25 and name 2HB ))
(( segid " A" and resid 24 and name H ))
ASSI { 127}
(( segid " A" and resid 27 and name H ))
(( segid " A" and resid 19 and name 1HB ))
3.904 1.906 1.906 peak 127 weight 1.00000E+00 volume 1.77866E+05 ppm1 10.019 ppm2 2.324
ASSI { 128}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 19 and name H ))
2.189 0.599 0.599 peak 128 weight 1.00000E+00 volume 5.73461E+06 ppm1 8.669 ppm2 4.687
ASSI { 129}
(( segid " A" and resid 18 and name QD1 ))
(( segid " A" and resid 29 and name H ))
4.104 2.106 2.106 peak 129 weight 1.00000E+00 volume 1.31804E+05 ppm1 7.993 ppm2 0.248
ASSI { 130}
(( segid " A" and resid 13 and name H ))
(( segid " A" and resid 11 and name HA ))
3.389 1.435 1.435 peak 130 weight 1.00000E+00 volume 4.16143E+05 ppm1 7.582 ppm2 3.668
ASSI { 131}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name H ))
2.781 0.967 0.967 peak 131 weight 1.00000E+00 volume 1.36088E+06 ppm1 8.660 ppm2 4.494
ASSI { 132}
(( segid " A" and resid 24 and name H ))
(( segid " A" and resid 25 and name HA ))
4.628 2.677 2.677 peak 132 weight 1.00000E+00 volume 6.41189E+04 ppm1 8.079 ppm2 5.570
ASSI { 133}
(( segid " A" and resid 29 and name 1HB ))
(( segid " A" and resid 30 and name H ))
3.842 1.845 1.845 peak 133 weight 1.00000E+00 volume 1.95959E+05 ppm1 8.249 ppm2 1.830
ASSI { 134}
(( segid " A" and resid 20 and name HA ))
(( segid " A" and resid 25 and name H ))
4.320 2.333 2.333 peak 134 weight 1.00000E+00 volume 9.68839E+04 ppm1 7.605 ppm2 5.089
ASSI { 135}
(( segid " A" and resid 26 and name H ))
(( segid " A" and resid 27 and name H ))
3.708 1.719 1.719 peak 135 weight 1.00000E+00 volume 2.42367E+05 ppm1 10.024 ppm2 9.296
ASSI { 136}
(( segid " A" and resid 20 and name 2HB ))
(( segid " A" and resid 21 and name H ))
4.000 2.000 2.000 peak 136 weight 1.00000E+00 volume 1.53761E+05 ppm1 9.268 ppm2 2.704
ASSI { 137}
(( segid " A" and resid 6 and name H ))
(( segid " A" and resid 26 and name H ))
3.234 1.307 1.307 peak 137 weight 1.00000E+00 volume 5.50732E+05 ppm1 9.346 ppm2 8.301
ASSI { 138}
(( segid " A" and resid 26 and name 1HB ))
(( segid " A" and resid 27 and name H ))
3.315 1.374 1.374 peak 138 weight 1.00000E+00 volume 4.74594E+05 ppm1 10.027 ppm2 3.136
ASSI { 139}
(( segid " A" and resid 27 and name H ))
(( segid " A" and resid 19 and name H ))
2.843 1.010 1.010 peak 139 weight 1.00000E+00 volume 1.19348E+06 ppm1 8.657 ppm2 10.026
ASSI { 140}
(( segid " A" and resid 27 and name QD ))
(( segid " A" and resid 28 and name H ))
3.316 1.374 1.374 peak 140 weight 1.00000E+00 volume 4.74209E+05 ppm1 8.666 ppm2 7.165
ASSI { 141}
(( segid " A" and resid 26 and name HA ))
(( segid " A" and resid 19 and name H ))
3.965 1.965 1.965 peak 141 weight 1.00000E+00 volume 1.62132E+05 ppm1 8.657 ppm2 5.511
ASSI { 142}
(( segid " A" and resid 19 and name 1HB ))
(( segid " A" and resid 19 and name H ))
2.680 0.898 0.898 peak 142 weight 1.00000E+00 volume 1.69920E+06 ppm1 8.657 ppm2 2.329
ASSI { 143}
(( segid " A" and resid 18 and name 2HB ))
(( segid " A" and resid 19 and name H ))
2.618 0.857 0.857 peak 143 weight 1.00000E+00 volume 1.95815E+06 ppm1 8.657 ppm2 1.168
ASSI { 144}
(( segid " A" and resid 18 and name QD2 ))
(( segid " A" and resid 19 and name H ))
4.417 2.439 2.439 peak 144 weight 1.00000E+00 volume 8.48367E+04 ppm1 8.669 ppm2 0.667
ASSI { 145}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 26 and name H ))
4.661 2.716 2.716 peak 145 weight 1.00000E+00 volume 6.14424E+04 ppm1 9.343 ppm2 4.258
ASSI { 146}
(( segid " A" and resid 18 and name QD2 ))
(( segid " A" and resid 5 and name H ))
4.276 2.286 2.286 peak 146 weight 1.00000E+00 volume 1.03058E+05 ppm1 9.161 ppm2 0.626
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