NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
620336 |
5ug5   |
30226 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 2: d8restraints
ASSI { 1}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HA ))
2.663 0.886 0.886 peak 1 weight 1.00000E+00 volume 1.27039E+04 ppm1 8.741 ppm2 4.300
ASSI { 2}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HA ))
2.571 0.826 0.826 peak 2 weight 1.00000E+00 volume 4.32090E+03 ppm1 8.712 ppm2 4.544
ASSI { 3}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 3 and name HN ))
2.101 0.552 0.552 peak 3 weight 1.00000E+00 volume 5.26732E+04 ppm1 8.711 ppm2 4.299
ASSI { 4}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HA ))
2.687 0.902 0.902 peak 4 weight 1.00000E+00 volume 1.20518E+04 ppm1 8.852 ppm2 4.174
ASSI { 5}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HA ))
2.650 0.878 0.878 peak 5 weight 1.00000E+00 volume 5.53066E+03 ppm1 8.499 ppm2 4.430
ASSI { 6}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HA ))
2.654 0.881 0.881 peak 6 weight 1.00000E+00 volume 4.13746E+03 ppm1 8.137 ppm2 4.308
ASSI { 7}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HA ))
2.547 0.811 0.811 peak 7 weight 1.00000E+00 volume 1.65810E+04 ppm1 7.842 ppm2 4.455
ASSI { 8}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 8 and name HN ))
2.810 0.987 0.987 peak 8 weight 1.00000E+00 volume 1.98862E+03 ppm1 7.859 ppm2 4.455
ASSI { 9}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HA ))
2.614 0.854 0.854 peak 9 weight 1.00000E+00 volume 2.92920E+03 ppm1 7.864 ppm2 5.264
ASSI { 11}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HA ))
2.502 0.783 0.783 peak 11 weight 1.00000E+00 volume 5.50906E+03 ppm1 7.813 ppm2 4.195
ASSI { 12}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HA ))
2.321 0.673 0.673 peak 12 weight 1.00000E+00 volume 2.89719E+04 ppm1 7.920 ppm2 4.275
ASSI { 13}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HA ))
2.693 0.907 0.907 peak 13 weight 1.00000E+00 volume 1.18728E+04 ppm1 8.424 ppm2 3.855
ASSI { 14}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HA ))
2.398 0.719 0.719 peak 14 weight 1.00000E+00 volume 2.38379E+04 ppm1 7.918 ppm2 4.245
ASSI { 15}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HA ))
2.585 0.836 0.836 peak 15 weight 1.00000E+00 volume 1.51696E+04 ppm1 7.787 ppm2 4.541
ASSI { 16}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HA ))
2.944 1.083 1.083 peak 16 weight 1.00000E+00 volume 2.32446E+03 ppm1 7.652 ppm2 5.039
ASSI { 17}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HA ))
2.492 0.776 0.776 peak 17 weight 1.00000E+00 volume 1.89304E+04 ppm1 8.691 ppm2 4.632
ASSI { 18}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 18 and name HA ))
2.940 1.080 1.080 peak 18 weight 1.00000E+00 volume 2.20432E+03 ppm1 7.678 ppm2 4.177
ASSI { 19}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HA ))
2.843 1.010 1.010 peak 19 weight 1.00000E+00 volume 8.57688E+03 ppm1 7.940 ppm2 4.725
ASSI { 20}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 1 and name HB ))
2.840 1.008 1.008 peak 20 weight 1.00000E+00 volume 8.63752E+03 ppm1 8.742 ppm2 1.921
ASSI { 21}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HB2 ))
2.441 0.745 0.745 peak 21 weight 1.00000E+00 volume 2.14197E+04 ppm1 8.743 ppm2 1.749
ASSI { 22}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HB1 ))
3.027 1.146 1.146 peak 22 weight 1.00000E+00 volume 1.12089E+03 ppm1 8.739 ppm2 1.587
ASSI { 25}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 2 and name HB2 ))
2.416 0.730 0.730 peak 25 weight 1.00000E+00 volume 2.27835E+04 ppm1 4.304 ppm2 1.753
ASSI { 26}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 2 and name HB1 ))
2.821 0.995 0.995 peak 26 weight 1.00000E+00 volume 8.99294E+03 ppm1 4.304 ppm2 1.573
ASSI { 27}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 12 and name HG2 ))
2.840 1.008 1.008 peak 27 weight 1.00000E+00 volume 1.81012E+03 ppm1 4.305 ppm2 1.526
ASSI { 29}
(( segid " A" and resid 2 and name HB2 ))
(( segid " A" and resid 2 and name HB1 ))
2.374 0.704 0.704 peak 29 weight 1.00000E+00 volume 2.53405E+04 ppm1 1.748 ppm2 1.587
ASSI { 31}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HA ))
2.213 0.612 0.612 peak 31 weight 1.00000E+00 volume 3.75533E+03 ppm1 4.307 ppm2 8.744
ASSI { 32}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 1 and name HA ))
2.159 0.582 0.582 peak 32 weight 1.00000E+00 volume 4.47799E+04 ppm1 3.820 ppm2 8.743
ASSI { 33}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HB2 ))
2.562 0.821 0.821 peak 33 weight 1.00000E+00 volume 3.77123E+03 ppm1 1.750 ppm2 8.741
ASSI { 34}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 2 and name HB1 ))
3.218 1.294 1.294 peak 34 weight 1.00000E+00 volume 9.71648E+02 ppm1 1.584 ppm2 8.741
ASSI { 35}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HB2 ))
2.545 0.809 0.809 peak 35 weight 1.00000E+00 volume 1.66911E+04 ppm1 8.711 ppm2 2.845
ASSI { 36}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HB1 ))
2.533 0.802 0.802 peak 36 weight 1.00000E+00 volume 4.77790E+03 ppm1 8.710 ppm2 2.786
ASSI { 39}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 3 and name HB2 ))
2.288 0.654 0.654 peak 39 weight 1.00000E+00 volume 7.24190E+03 ppm1 4.541 ppm2 2.844
ASSI { 40}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 3 and name HB1 ))
2.416 0.730 0.730 peak 40 weight 1.00000E+00 volume 6.47735E+03 ppm1 4.542 ppm2 2.783
ASSI { 42}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HB1 ))
2.005 0.502 0.502 peak 42 weight 1.00000E+00 volume 6.98140E+04 ppm1 2.853 ppm2 2.713
ASSI { 43}
(( segid " A" and resid 3 and name HB2 ))
(( segid " A" and resid 3 and name HB1 ))
1.884 0.444 0.444 peak 43 weight 1.00000E+00 volume 1.87766E+04 ppm1 2.853 ppm2 2.789
ASSI { 45}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HA ))
2.673 0.893 0.893 peak 45 weight 1.00000E+00 volume 2.78282E+03 ppm1 4.545 ppm2 8.712
ASSI { 46}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HB2 ))
2.645 0.874 0.874 peak 46 weight 1.00000E+00 volume 2.37065E+03 ppm1 2.850 ppm2 8.712
ASSI { 47}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HB2 ))
2.812 0.988 0.988 peak 47 weight 1.00000E+00 volume 2.44956E+03 ppm1 2.839 ppm2 8.705
ASSI { 48}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 3 and name HB1 ))
2.651 0.878 0.878 peak 48 weight 1.00000E+00 volume 1.30609E+04 ppm1 2.792 ppm2 8.710
ASSI { 49}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HG2 ))
2.758 0.951 0.951 peak 49 weight 1.00000E+00 volume 2.60278E+03 ppm1 8.853 ppm2 2.439
ASSI { 50}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HB2 ))
2.652 0.879 0.879 peak 50 weight 1.00000E+00 volume 3.30735E+03 ppm1 8.852 ppm2 2.117
ASSI { 51}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HB1 ))
2.545 0.809 0.809 peak 51 weight 1.00000E+00 volume 1.66851E+04 ppm1 8.852 ppm2 2.006
ASSI { 52}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HB2 ))
2.275 0.647 0.647 peak 52 weight 1.00000E+00 volume 3.26826E+04 ppm1 8.499 ppm2 3.194
ASSI { 53}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HB1 ))
3.533 1.560 1.560 peak 53 weight 1.00000E+00 volume 5.01630E+02 ppm1 8.525 ppm2 2.768
ASSI { 54}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HB1 ))
2.315 0.670 0.670 peak 54 weight 1.00000E+00 volume 7.86462E+03 ppm1 8.499 ppm2 2.764
ASSI { 58}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HG2 ))
2.753 0.947 0.947 peak 58 weight 1.00000E+00 volume 1.04070E+04 ppm1 4.181 ppm2 2.436
ASSI { 59}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HB2 ))
2.254 0.635 0.635 peak 59 weight 1.00000E+00 volume 3.45304E+04 ppm1 4.184 ppm2 2.132
ASSI { 60}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HB1 ))
2.590 0.838 0.838 peak 60 weight 1.00000E+00 volume 1.50238E+04 ppm1 4.182 ppm2 2.009
ASSI { 62}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 4 and name HB2 ))
2.640 0.871 0.871 peak 62 weight 1.00000E+00 volume 1.33821E+04 ppm1 2.453 ppm2 2.122
ASSI { 65}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 4 and name HB1 ))
2.593 0.841 0.841 peak 65 weight 1.00000E+00 volume 2.96486E+03 ppm1 2.442 ppm2 2.004
ASSI { 67}
(( segid " A" and resid 4 and name HB2 ))
(( segid " A" and resid 4 and name HB1 ))
1.825 0.416 0.416 peak 67 weight 1.00000E+00 volume 1.22652E+05 ppm1 2.117 ppm2 1.998
ASSI { 69}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HA ))
2.613 0.853 0.853 peak 69 weight 1.00000E+00 volume 1.42437E+04 ppm1 4.182 ppm2 8.853
ASSI { 70}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HG2 ))
3.148 1.239 1.239 peak 70 weight 1.00000E+00 volume 1.26446E+03 ppm1 2.435 ppm2 8.852
ASSI { 71}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HB2 ))
2.809 0.987 0.987 peak 71 weight 1.00000E+00 volume 9.21344E+03 ppm1 2.125 ppm2 8.851
ASSI { 72}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 4 and name HB1 ))
2.743 0.940 0.940 peak 72 weight 1.00000E+00 volume 2.07508E+03 ppm1 2.011 ppm2 8.852
ASSI { 74}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HG2 ))
2.887 1.042 1.042 peak 74 weight 1.00000E+00 volume 1.74903E+03 ppm1 2.437 ppm2 4.176
ASSI { 76}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HB2 ))
2.314 0.669 0.669 peak 76 weight 1.00000E+00 volume 7.31981E+03 ppm1 2.132 ppm2 4.177
ASSI { 77}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 4 and name HB1 ))
2.598 0.844 0.844 peak 77 weight 1.00000E+00 volume 1.47416E+04 ppm1 2.005 ppm2 4.176
ASSI { 78}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 4 and name HB2 ))
2.497 0.780 0.780 peak 78 weight 1.00000E+00 volume 3.02622E+03 ppm1 2.123 ppm2 2.436
ASSI { 81}
(( segid " A" and resid 4 and name HG2 ))
(( segid " A" and resid 4 and name HB1 ))
2.479 0.768 0.768 peak 81 weight 1.00000E+00 volume 1.95074E+04 ppm1 2.013 ppm2 2.437
ASSI { 82}
(( segid " A" and resid 4 and name HB2 ))
(( segid " A" and resid 4 and name HB1 ))
1.803 0.406 0.406 peak 82 weight 1.00000E+00 volume 2.54982E+04 ppm1 2.007 ppm2 2.129
ASSI { 84}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HB2 ))
2.386 0.712 0.712 peak 84 weight 1.00000E+00 volume 4.43700E+03 ppm1 4.436 ppm2 3.190
ASSI { 85}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HB1 ))
2.539 0.806 0.806 peak 85 weight 1.00000E+00 volume 2.90993E+03 ppm1 4.438 ppm2 2.768
ASSI { 88}
(( segid " A" and resid 5 and name HB2 ))
(( segid " A" and resid 5 and name HB1 ))
1.944 0.472 0.472 peak 88 weight 1.00000E+00 volume 8.39036E+04 ppm1 3.195 ppm2 2.771
ASSI { 89}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HA ))
2.541 0.807 0.807 peak 89 weight 1.00000E+00 volume 1.68449E+04 ppm1 4.436 ppm2 8.492
ASSI { 90}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HB2 ))
2.509 0.787 0.787 peak 90 weight 1.00000E+00 volume 5.28140E+03 ppm1 3.206 ppm2 8.491
ASSI { 92}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 5 and name HB1 ))
2.534 0.803 0.803 peak 92 weight 1.00000E+00 volume 4.23495E+03 ppm1 2.765 ppm2 8.493
ASSI { 93}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HB2 ))
2.640 0.871 0.871 peak 93 weight 1.00000E+00 volume 2.13666E+03 ppm1 3.199 ppm2 4.431
ASSI { 94}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 5 and name HB1 ))
2.943 1.083 1.083 peak 94 weight 1.00000E+00 volume 1.16280E+03 ppm1 2.775 ppm2 4.428
ASSI { 95}
(( segid " A" and resid 5 and name HB2 ))
(( segid " A" and resid 5 and name HB1 ))
2.005 0.502 0.502 peak 95 weight 1.00000E+00 volume 6.98137E+04 ppm1 2.767 ppm2 3.194
ASSI { 97}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB2 ))
2.393 0.716 0.716 peak 97 weight 1.00000E+00 volume 6.04317E+03 ppm1 8.136 ppm2 3.186
ASSI { 98}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB1 ))
2.351 0.691 0.691 peak 98 weight 1.00000E+00 volume 6.30111E+03 ppm1 8.136 ppm2 2.853
ASSI { 99}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB2 ))
2.383 0.710 0.710 peak 99 weight 1.00000E+00 volume 3.69696E+03 ppm1 4.307 ppm2 3.177
ASSI { 100}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB1 ))
2.523 0.796 0.796 peak 100 weight 1.00000E+00 volume 3.32427E+03 ppm1 4.304 ppm2 2.854
ASSI { 102}
(( segid " A" and resid 6 and name HB2 ))
(( segid " A" and resid 6 and name HB1 ))
1.930 0.466 0.466 peak 102 weight 1.00000E+00 volume 8.76862E+04 ppm1 3.177 ppm2 2.851
ASSI { 104}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HA ))
2.720 0.925 0.925 peak 104 weight 1.00000E+00 volume 1.11951E+04 ppm1 4.307 ppm2 8.133
ASSI { 105}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB2 ))
2.626 0.862 0.862 peak 105 weight 1.00000E+00 volume 1.38294E+04 ppm1 3.193 ppm2 8.134
ASSI { 106}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 6 and name HB1 ))
2.548 0.811 0.811 peak 106 weight 1.00000E+00 volume 7.99319E+03 ppm1 2.854 ppm2 8.133
ASSI { 107}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB1 ))
2.704 0.914 0.914 peak 107 weight 1.00000E+00 volume 1.15801E+04 ppm1 2.860 ppm2 4.308
ASSI { 108}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 6 and name HB2 ))
2.547 0.811 0.811 peak 108 weight 1.00000E+00 volume 1.66001E+04 ppm1 3.187 ppm2 4.311
ASSI { 109}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HB2 ))
2.559 0.818 0.818 peak 109 weight 1.00000E+00 volume 1.61428E+04 ppm1 7.841 ppm2 3.964
ASSI { 110}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HB1 ))
2.696 0.908 0.908 peak 110 weight 1.00000E+00 volume 1.18032E+04 ppm1 7.841 ppm2 3.916
ASSI { 112}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HB2 ))
2.266 0.642 0.642 peak 112 weight 1.00000E+00 volume 3.34912E+04 ppm1 4.459 ppm2 3.963
ASSI { 113}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HB1 ))
2.274 0.646 0.646 peak 113 weight 1.00000E+00 volume 8.98652E+03 ppm1 4.460 ppm2 3.915
ASSI { 115}
(( segid " A" and resid 7 and name HB2 ))
(( segid " A" and resid 7 and name HB1 ))
1.861 0.433 0.433 peak 115 weight 1.00000E+00 volume 2.39988E+04 ppm1 3.961 ppm2 3.918
ASSI { 117}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HA ))
2.425 0.735 0.735 peak 117 weight 1.00000E+00 volume 5.61650E+03 ppm1 4.459 ppm2 7.834
ASSI { 118}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HB2 ))
2.683 0.900 0.900 peak 118 weight 1.00000E+00 volume 1.21589E+04 ppm1 3.968 ppm2 7.834
ASSI { 119}
(( segid " A" and resid 7 and name HN ))
(( segid " A" and resid 7 and name HB1 ))
2.623 0.860 0.860 peak 119 weight 1.00000E+00 volume 3.74457E+03 ppm1 3.921 ppm2 7.831
ASSI { 120}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HB2 ))
3.282 1.347 1.347 peak 120 weight 1.00000E+00 volume 1.55566E+03 ppm1 3.967 ppm2 4.466
ASSI { 121}
(( segid " A" and resid 7 and name HA ))
(( segid " A" and resid 7 and name HB1 ))
3.122 1.218 1.218 peak 121 weight 1.00000E+00 volume 4.46077E+03 ppm1 3.922 ppm2 4.458
ASSI { 122}
(( segid " A" and resid 7 and name HB2 ))
(( segid " A" and resid 7 and name HB1 ))
1.865 0.435 0.435 peak 122 weight 1.00000E+00 volume 1.07550E+05 ppm1 3.913 ppm2 3.964
ASSI { 123}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HB2 ))
2.400 0.720 0.720 peak 123 weight 1.00000E+00 volume 5.54029E+03 ppm1 7.863 ppm2 3.149
ASSI { 124}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HB1 ))
2.365 0.699 0.699 peak 124 weight 1.00000E+00 volume 2.58768E+04 ppm1 7.865 ppm2 2.806
ASSI { 125}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HB2 ))
2.864 1.026 1.026 peak 125 weight 1.00000E+00 volume 1.96466E+03 ppm1 5.270 ppm2 3.142
ASSI { 126}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HA ))
3.277 1.342 1.342 peak 126 weight 1.00000E+00 volume 3.66059E+03 ppm1 5.266 ppm2 7.850
ASSI { 127}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HB2 ))
2.451 0.751 0.751 peak 127 weight 1.00000E+00 volume 4.95884E+03 ppm1 3.153 ppm2 7.854
ASSI { 128}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 8 and name HB1 ))
2.421 0.733 0.733 peak 128 weight 1.00000E+00 volume 2.32614E+03 ppm1 2.806 ppm2 7.857
ASSI { 130}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HB2 ))
2.515 0.790 0.790 peak 130 weight 1.00000E+00 volume 3.19706E+03 ppm1 3.151 ppm2 5.260
ASSI { 131}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 8 and name HB1 ))
2.494 0.777 0.777 peak 131 weight 1.00000E+00 volume 1.76317E+03 ppm1 2.805 ppm2 5.264
ASSI { 132}
(( segid " A" and resid 8 and name HB2 ))
(( segid " A" and resid 12 and name HD2 ))
1.238 0.192 0.192 peak 132 weight 1.00000E+00 volume 3.36688E+05 ppm1 3.146 ppm2 3.143
ASSI { 133}
(( segid " A" and resid 8 and name HB2 ))
(( segid " A" and resid 8 and name HB1 ))
1.965 0.482 0.482 peak 133 weight 1.00000E+00 volume 7.32417E+03 ppm1 2.807 ppm2 3.144
ASSI { 134}
(( segid " A" and resid 10 and name HN ))
( segid " A" and resid 10 and name HB# )
2.213 0.612 0.612 peak 134 weight 1.00000E+00 volume 3.85978E+04 ppm1 7.813 ppm2 1.362
ASSI { 136}
(( segid " A" and resid 10 and name HA ))
( segid " A" and resid 10 and name HB# )
2.218 0.615 0.615 peak 136 weight 1.00000E+00 volume 3.80333E+04 ppm1 4.195 ppm2 1.361
ASSI { 137}
(( segid " A" and resid 10 and name HA ))
( segid " A" and resid 10 and name HB# )
2.161 0.584 0.584 peak 137 weight 1.00000E+00 volume 9.97560E+03 ppm1 1.364 ppm2 4.194
ASSI { 139}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HB2 ))
2.490 0.775 0.775 peak 139 weight 1.00000E+00 volume 4.33169E+03 ppm1 8.424 ppm2 1.870
ASSI { 140}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HB1 ))
2.578 0.830 0.830 peak 140 weight 1.00000E+00 volume 1.54492E+04 ppm1 8.424 ppm2 1.673
ASSI { 141}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HG2 ))
2.874 1.032 1.032 peak 141 weight 1.00000E+00 volume 8.04087E+03 ppm1 8.425 ppm2 1.522
ASSI { 142}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HG1 ))
2.866 1.027 1.027 peak 142 weight 1.00000E+00 volume 8.16828E+03 ppm1 8.423 ppm2 1.390
ASSI { 143}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HE ))
3.622 1.640 1.640 peak 143 weight 1.00000E+00 volume 7.68444E+02 ppm1 7.257 ppm2 3.864
ASSI { 144}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HE ))
2.365 0.699 0.699 peak 144 weight 1.00000E+00 volume 7.38885E+03 ppm1 7.248 ppm2 3.143
ASSI { 145}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HD2 ))
3.086 1.190 1.190 peak 145 weight 1.00000E+00 volume 1.56516E+03 ppm1 8.423 ppm2 3.142
ASSI { 146}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 12 and name HE ))
3.006 1.130 1.130 peak 146 weight 1.00000E+00 volume 6.13510E+03 ppm1 7.249 ppm2 1.857
ASSI { 147}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 12 and name HE ))
3.141 1.233 1.233 peak 147 weight 1.00000E+00 volume 4.71603E+03 ppm1 7.249 ppm2 1.672
ASSI { 148}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HE ))
3.002 1.126 1.126 peak 148 weight 1.00000E+00 volume 6.19203E+03 ppm1 7.250 ppm2 1.520
ASSI { 149}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HE ))
3.003 1.127 1.127 peak 149 weight 1.00000E+00 volume 1.66152E+03 ppm1 7.247 ppm2 1.388
ASSI { 151}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HD2 ))
3.142 1.234 1.234 peak 151 weight 1.00000E+00 volume 4.70716E+03 ppm1 3.860 ppm2 3.144
ASSI { 152}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HB2 ))
2.502 0.782 0.782 peak 152 weight 1.00000E+00 volume 1.84826E+04 ppm1 3.861 ppm2 1.870
ASSI { 154}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HB1 ))
2.557 0.817 0.817 peak 154 weight 1.00000E+00 volume 3.22453E+03 ppm1 3.861 ppm2 1.671
ASSI { 155}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HG2 ))
2.714 0.921 0.921 peak 155 weight 1.00000E+00 volume 1.13316E+04 ppm1 3.861 ppm2 1.520
ASSI { 156}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HG1 ))
2.795 0.977 0.977 peak 156 weight 1.00000E+00 volume 9.50110E+03 ppm1 3.860 ppm2 1.397
ASSI { 157}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HB2 ))
2.710 0.918 0.918 peak 157 weight 1.00000E+00 volume 2.25773E+03 ppm1 3.147 ppm2 1.872
ASSI { 158}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HB1 ))
2.648 0.876 0.876 peak 158 weight 1.00000E+00 volume 1.31463E+04 ppm1 3.150 ppm2 1.674
ASSI { 159}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HD2 ))
2.384 0.710 0.710 peak 159 weight 1.00000E+00 volume 4.10704E+03 ppm1 3.145 ppm2 1.530
ASSI { 160}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HD2 ))
2.474 0.765 0.765 peak 160 weight 1.00000E+00 volume 3.39561E+03 ppm1 3.145 ppm2 1.395
ASSI { 162}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 12 and name HB1 ))
2.150 0.578 0.578 peak 162 weight 1.00000E+00 volume 4.58887E+04 ppm1 1.872 ppm2 1.674
ASSI { 163}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HB2 ))
2.678 0.896 0.896 peak 163 weight 1.00000E+00 volume 1.90262E+03 ppm1 1.874 ppm2 1.523
ASSI { 164}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HB2 ))
2.839 1.007 1.007 peak 164 weight 1.00000E+00 volume 1.36992E+03 ppm1 1.873 ppm2 1.393
ASSI { 165}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HB2 ))
2.833 1.003 1.003 peak 165 weight 1.00000E+00 volume 1.25821E+03 ppm1 1.861 ppm2 1.390
ASSI { 167}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HB1 ))
2.574 0.828 0.828 peak 167 weight 1.00000E+00 volume 1.55871E+04 ppm1 1.677 ppm2 1.524
ASSI { 168}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HB1 ))
2.660 0.885 0.885 peak 168 weight 1.00000E+00 volume 2.06854E+03 ppm1 1.671 ppm2 1.400
ASSI { 170}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HG1 ))
2.111 0.557 0.557 peak 170 weight 1.00000E+00 volume 5.11467E+04 ppm1 1.523 ppm2 1.396
ASSI { 172}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HA ))
2.640 0.871 0.871 peak 172 weight 1.00000E+00 volume 1.33698E+04 ppm1 3.860 ppm2 8.418
ASSI { 173}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HD2 ))
3.078 1.184 1.184 peak 173 weight 1.00000E+00 volume 1.33246E+03 ppm1 3.147 ppm2 8.419
ASSI { 174}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HB2 ))
2.786 0.970 0.970 peak 174 weight 1.00000E+00 volume 2.79508E+03 ppm1 1.875 ppm2 8.418
ASSI { 175}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 2 and name HB2 ))
3.984 1.985 1.985 peak 175 weight 1.00000E+00 volume 3.59987E+02 ppm1 1.727 ppm2 8.416
ASSI { 176}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HB1 ))
2.801 0.981 0.981 peak 176 weight 1.00000E+00 volume 2.44938E+03 ppm1 1.674 ppm2 8.418
ASSI { 178}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HG2 ))
3.225 1.300 1.300 peak 178 weight 1.00000E+00 volume 4.02800E+03 ppm1 1.518 ppm2 8.416
ASSI { 179}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 12 and name HG1 ))
3.224 1.299 1.299 peak 179 weight 1.00000E+00 volume 4.03304E+03 ppm1 1.404 ppm2 8.416
ASSI { 180}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HD2 ))
3.031 1.148 1.148 peak 180 weight 1.00000E+00 volume 5.84303E+03 ppm1 3.146 ppm2 3.859
ASSI { 181}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HB2 ))
2.712 0.919 0.919 peak 181 weight 1.00000E+00 volume 1.13915E+04 ppm1 1.875 ppm2 3.858
ASSI { 182}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HB1 ))
2.751 0.946 0.946 peak 182 weight 1.00000E+00 volume 1.83316E+03 ppm1 1.680 ppm2 3.858
ASSI { 183}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 9 and name HD2 ))
3.913 1.914 1.914 peak 183 weight 1.00000E+00 volume 1.26259E+03 ppm1 1.566 ppm2 3.892
OR { 183}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 7 and name HB1 ))
OR { 183}
(( segid " A" and resid 2 and name HB1 ))
(( segid " A" and resid 7 and name HB1 ))
ASSI { 184}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HG2 ))
2.935 1.077 1.077 peak 184 weight 1.00000E+00 volume 1.34161E+03 ppm1 1.529 ppm2 3.853
ASSI { 185}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 12 and name HG1 ))
2.998 1.124 1.124 peak 185 weight 1.00000E+00 volume 1.22440E+03 ppm1 1.395 ppm2 3.856
ASSI { 186}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HB2 ))
2.697 0.909 0.909 peak 186 weight 1.00000E+00 volume 2.65151E+03 ppm1 1.873 ppm2 3.143
ASSI { 187}
(( segid " A" and resid 2 and name HB2 ))
(( segid " A" and resid 8 and name HB2 ))
2.738 0.937 0.937 peak 187 weight 1.00000E+00 volume 2.79152E+03 ppm1 1.749 ppm2 3.143
ASSI { 188}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HB1 ))
2.665 0.888 0.888 peak 188 weight 1.00000E+00 volume 2.89445E+03 ppm1 1.679 ppm2 3.144
ASSI { 189}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HD2 ))
2.490 0.775 0.775 peak 189 weight 1.00000E+00 volume 4.59306E+03 ppm1 1.528 ppm2 3.143
ASSI { 190}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HD2 ))
2.528 0.799 0.799 peak 190 weight 1.00000E+00 volume 1.73528E+04 ppm1 1.398 ppm2 3.143
ASSI { 191}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 12 and name HB1 ))
2.119 0.561 0.561 peak 191 weight 1.00000E+00 volume 5.00658E+04 ppm1 1.676 ppm2 1.870
ASSI { 192}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HB2 ))
2.687 0.903 0.903 peak 192 weight 1.00000E+00 volume 1.20333E+04 ppm1 1.530 ppm2 1.871
ASSI { 193}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HB2 ))
2.874 1.032 1.032 peak 193 weight 1.00000E+00 volume 1.41409E+03 ppm1 1.387 ppm2 1.869
ASSI { 194}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HB1 ))
2.605 0.848 0.848 peak 194 weight 1.00000E+00 volume 1.45065E+04 ppm1 1.525 ppm2 1.670
ASSI { 195}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HB1 ))
2.689 0.904 0.904 peak 195 weight 1.00000E+00 volume 1.19957E+04 ppm1 1.397 ppm2 1.668
ASSI { 196}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HG1 ))
2.139 0.572 0.572 peak 196 weight 1.00000E+00 volume 4.72575E+04 ppm1 1.399 ppm2 1.520
ASSI { 197}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HB2 ))
2.776 0.963 0.963 peak 197 weight 1.00000E+00 volume 9.91005E+03 ppm1 7.786 ppm2 2.853
ASSI { 198}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HB1 ))
2.540 0.806 0.806 peak 198 weight 1.00000E+00 volume 1.68842E+04 ppm1 7.787 ppm2 2.711
ASSI { 199}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 14 and name HB2 ))
2.172 0.590 0.590 peak 199 weight 1.00000E+00 volume 4.31490E+04 ppm1 4.541 ppm2 2.868
ASSI { 200}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 14 and name HB1 ))
2.577 0.830 0.830 peak 200 weight 1.00000E+00 volume 3.04671E+03 ppm1 4.539 ppm2 2.709
ASSI { 202}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HA ))
2.510 0.787 0.787 peak 202 weight 1.00000E+00 volume 4.84364E+03 ppm1 4.540 ppm2 7.781
ASSI { 203}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HB2 ))
2.877 1.035 1.035 peak 203 weight 1.00000E+00 volume 6.52804E+02 ppm1 2.862 ppm2 7.782
ASSI { 204}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 14 and name HB1 ))
2.721 0.926 0.926 peak 204 weight 1.00000E+00 volume 1.11554E+04 ppm1 2.711 ppm2 7.782
ASSI { 205}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 14 and name HB2 ))
2.416 0.730 0.730 peak 205 weight 1.00000E+00 volume 2.27904E+04 ppm1 2.875 ppm2 4.538
ASSI { 206}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 14 and name HB1 ))
2.754 0.948 0.948 peak 206 weight 1.00000E+00 volume 1.92730E+03 ppm1 2.727 ppm2 4.540
ASSI { 207}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HB1 ))
2.058 0.530 0.530 peak 207 weight 1.00000E+00 volume 5.95675E+04 ppm1 2.723 ppm2 2.858
ASSI { 208}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HB2 ))
3.157 1.246 1.246 peak 208 weight 1.00000E+00 volume 9.75864E+02 ppm1 7.651 ppm2 2.858
ASSI { 209}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HB1 ))
2.380 0.708 0.708 peak 209 weight 1.00000E+00 volume 2.49130E+04 ppm1 7.652 ppm2 2.653
ASSI { 211}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 15 and name HB1 ))
2.397 0.718 0.718 peak 211 weight 1.00000E+00 volume 5.19623E+03 ppm1 2.658 ppm2 7.652
ASSI { 212}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 14 and name HD21))
3.046 1.159 1.159 peak 212 weight 1.00000E+00 volume 5.67822E+03 ppm1 2.690 ppm2 7.622
ASSI { 213}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 15 and name HB1 ))
2.336 0.682 0.682 peak 213 weight 1.00000E+00 volume 2.78652E+04 ppm1 2.659 ppm2 5.039
ASSI { 215}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
2.484 0.771 0.771 peak 215 weight 1.00000E+00 volume 3.64980E+03 ppm1 7.922 ppm2 4.003
ASSI { 216}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HB1 ))
2.395 0.717 0.717 peak 216 weight 1.00000E+00 volume 5.37105E+03 ppm1 7.923 ppm2 3.312
ASSI { 218}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HB2 ))
2.778 0.965 0.965 peak 218 weight 1.00000E+00 volume 2.53010E+03 ppm1 4.277 ppm2 4.005
ASSI { 219}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HB1 ))
2.455 0.753 0.753 peak 219 weight 1.00000E+00 volume 4.28469E+03 ppm1 4.281 ppm2 3.313
ASSI { 221}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 11 and name HB1 ))
2.202 0.606 0.606 peak 221 weight 1.00000E+00 volume 8.29697E+03 ppm1 4.003 ppm2 3.312
ASSI { 223}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HA ))
2.549 0.812 0.812 peak 223 weight 1.00000E+00 volume 1.65109E+04 ppm1 4.278 ppm2 7.924
ASSI { 224}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
2.804 0.982 0.982 peak 224 weight 1.00000E+00 volume 9.33159E+03 ppm1 4.004 ppm2 7.922
ASSI { 225}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 11 and name HB1 ))
2.654 0.880 0.880 peak 225 weight 1.00000E+00 volume 5.00260E+03 ppm1 3.305 ppm2 7.922
ASSI { 226}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HB1 ))
2.628 0.863 0.863 peak 226 weight 1.00000E+00 volume 3.59816E+03 ppm1 3.305 ppm2 4.277
ASSI { 227}
(( segid " A" and resid 11 and name HB2 ))
(( segid " A" and resid 11 and name HB1 ))
2.184 0.596 0.596 peak 227 weight 1.00000E+00 volume 9.27518E+03 ppm1 3.305 ppm2 4.002
ASSI { 229}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HB2 ))
2.123 0.563 0.563 peak 229 weight 1.00000E+00 volume 1.24768E+04 ppm1 7.919 ppm2 3.043
ASSI { 231}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HB1 ))
2.476 0.766 0.766 peak 231 weight 1.00000E+00 volume 3.23123E+03 ppm1 4.281 ppm2 3.322
ASSI { 232}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 13 and name HB2 ))
2.291 0.656 0.656 peak 232 weight 1.00000E+00 volume 7.01657E+03 ppm1 4.252 ppm2 3.044
ASSI { 234}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HA ))
2.621 0.859 0.859 peak 234 weight 1.00000E+00 volume 1.39703E+04 ppm1 4.251 ppm2 7.920
ASSI { 235}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HB2 ))
2.182 0.595 0.595 peak 235 weight 1.00000E+00 volume 4.19564E+04 ppm1 3.044 ppm2 7.920
ASSI { 236}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 13 and name HB2 ))
2.257 0.637 0.637 peak 236 weight 1.00000E+00 volume 7.82099E+03 ppm1 3.044 ppm2 4.245
ASSI { 239}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HB2 ))
2.887 1.042 1.042 peak 239 weight 1.00000E+00 volume 1.92281E+03 ppm1 8.689 ppm2 3.292
ASSI { 240}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HB1 ))
2.609 0.851 0.851 peak 240 weight 1.00000E+00 volume 2.59034E+03 ppm1 8.691 ppm2 3.219
ASSI { 243}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 17 and name HB2 ))
2.771 0.960 0.960 peak 243 weight 1.00000E+00 volume 1.00091E+04 ppm1 4.632 ppm2 3.290
ASSI { 244}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 17 and name HB1 ))
2.860 1.022 1.022 peak 244 weight 1.00000E+00 volume 8.28141E+03 ppm1 4.633 ppm2 3.221
ASSI { 246}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 17 and name HB1 ))
1.915 0.458 0.458 peak 246 weight 1.00000E+00 volume 2.03311E+04 ppm1 3.294 ppm2 3.219
ASSI { 248}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HA ))
2.687 0.902 0.902 peak 248 weight 1.00000E+00 volume 1.20429E+04 ppm1 4.634 ppm2 8.691
ASSI { 249}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HB2 ))
2.924 1.069 1.069 peak 249 weight 1.00000E+00 volume 7.25144E+03 ppm1 3.295 ppm2 8.690
ASSI { 250}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 17 and name HB1 ))
2.784 0.969 0.969 peak 250 weight 1.00000E+00 volume 2.41788E+03 ppm1 3.218 ppm2 8.690
ASSI { 251}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 17 and name HB2 ))
2.612 0.853 0.853 peak 251 weight 1.00000E+00 volume 3.44488E+03 ppm1 3.295 ppm2 4.631
ASSI { 252}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 17 and name HB1 ))
2.780 0.966 0.966 peak 252 weight 1.00000E+00 volume 2.47390E+03 ppm1 3.220 ppm2 4.630
ASSI { 253}
(( segid " A" and resid 17 and name HB2 ))
(( segid " A" and resid 17 and name HB1 ))
1.906 0.454 0.454 peak 253 weight 1.00000E+00 volume 1.19384E+04 ppm1 3.226 ppm2 3.286
ASSI { 254}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 18 and name HB ))
2.644 0.874 0.874 peak 254 weight 1.00000E+00 volume 2.86203E+03 ppm1 7.679 ppm2 2.136
ASSI { 255}
(( segid " A" and resid 18 and name HN ))
( segid " A" and resid 18 and name HG1#)
2.452 0.751 0.751 peak 255 weight 1.00000E+00 volume 2.08710E+04 ppm1 7.680 ppm2 0.916
ASSI { 257}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 18 and name HB ))
2.254 0.635 0.635 peak 257 weight 1.00000E+00 volume 7.49700E+03 ppm1 4.181 ppm2 2.136
ASSI { 258}
(( segid " A" and resid 18 and name HA ))
( segid " A" and resid 18 and name HG1#)
2.289 0.655 0.655 peak 258 weight 1.00000E+00 volume 3.15135E+04 ppm1 4.185 ppm2 0.904
ASSI { 260}
(( segid " A" and resid 18 and name HB ))
( segid " A" and resid 18 and name HG1#)
2.193 0.601 0.601 peak 260 weight 1.00000E+00 volume 6.43225E+03 ppm1 2.136 ppm2 0.906
ASSI { 262}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 18 and name HA ))
2.752 0.946 0.946 peak 262 weight 1.00000E+00 volume 1.04405E+04 ppm1 4.185 ppm2 7.676
ASSI { 263}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 18 and name HB ))
2.665 0.888 0.888 peak 263 weight 1.00000E+00 volume 2.35137E+03 ppm1 2.140 ppm2 7.682
ASSI { 264}
(( segid " A" and resid 18 and name HN ))
( segid " A" and resid 18 and name HG1#)
2.530 0.800 0.800 peak 264 weight 1.00000E+00 volume 3.78050E+03 ppm1 0.924 ppm2 7.677
ASSI { 265}
(( segid " A" and resid 18 and name HN ))
( segid " A" and resid 18 and name HG2#)
2.978 1.108 1.108 peak 265 weight 1.00000E+00 volume 6.50081E+03 ppm1 0.887 ppm2 7.672
ASSI { 266}
(( segid " A" and resid 18 and name HN ))
( segid " A" and resid 18 and name HG2#)
2.496 0.779 0.779 peak 266 weight 1.00000E+00 volume 1.55221E+03 ppm1 7.674 ppm2 0.883
ASSI { 267}
(( segid " A" and resid 18 and name HA ))
( segid " A" and resid 18 and name HG2#)
2.289 0.655 0.655 peak 267 weight 1.00000E+00 volume 3.15135E+04 ppm1 4.185 ppm2 0.883
ASSI { 268}
(( segid " A" and resid 18 and name HB ))
( segid " A" and resid 18 and name HG2#)
2.178 0.593 0.593 peak 268 weight 1.00000E+00 volume 6.03114E+03 ppm1 2.136 ppm2 0.883
ASSI { 270}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 18 and name HB ))
2.377 0.706 0.706 peak 270 weight 1.00000E+00 volume 2.51507E+04 ppm1 2.121 ppm2 4.175
ASSI { 271}
(( segid " A" and resid 18 and name HA ))
( segid " A" and resid 18 and name HG1#)
2.517 0.792 0.792 peak 271 weight 1.00000E+00 volume 5.30983E+03 ppm1 0.923 ppm2 4.177
ASSI { 272}
(( segid " A" and resid 18 and name HA ))
( segid " A" and resid 18 and name HG2#)
2.434 0.741 0.741 peak 272 weight 1.00000E+00 volume 2.17894E+04 ppm1 0.884 ppm2 4.177
ASSI { 273}
(( segid " A" and resid 18 and name HB ))
( segid " A" and resid 18 and name HG1#)
2.260 0.638 0.638 peak 273 weight 1.00000E+00 volume 8.57120E+03 ppm1 0.925 ppm2 2.135
ASSI { 274}
(( segid " A" and resid 18 and name HB ))
( segid " A" and resid 18 and name HG2#)
2.265 0.641 0.641 peak 274 weight 1.00000E+00 volume 8.06406E+03 ppm1 0.886 ppm2 2.136
ASSI { 275}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HB2 ))
3.004 1.128 1.128 peak 275 weight 1.00000E+00 volume 6.16447E+03 ppm1 7.940 ppm2 3.213
ASSI { 276}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 19 and name HB1 ))
2.676 0.895 0.895 peak 276 weight 1.00000E+00 volume 1.23274E+04 ppm1 7.938 ppm2 2.702
ASSI { 278}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name HB2 ))
3.467 1.502 1.502 peak 278 weight 1.00000E+00 volume 9.33628E+02 ppm1 4.726 ppm2 3.218
ASSI { 279}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name HB1 ))
4.607 2.653 2.653 peak 279 weight 1.00000E+00 volume 4.39670E+02 ppm1 4.727 ppm2 2.707
ASSI { 280}
(( segid " A" and resid 19 and name HB2 ))
(( segid " A" and resid 19 and name HB1 ))
2.006 0.503 0.503 peak 280 weight 1.00000E+00 volume 6.96372E+04 ppm1 3.207 ppm2 2.704
ASSI { 284}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HB2 ))
2.208 0.610 0.610 peak 284 weight 1.00000E+00 volume 1.05680E+04 ppm1 4.460 ppm2 2.147
ASSI { 285}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HB3 ))
2.531 0.801 0.801 peak 285 weight 1.00000E+00 volume 1.72476E+04 ppm1 4.460 ppm2 1.843
ASSI { 287}
(( segid " A" and resid 16 and name HG ))
(( segid " A" and resid 16 and name HD22))
2.432 0.739 0.739 peak 287 weight 1.00000E+00 volume 4.99927E+03 ppm1 4.280 ppm2 3.718
ASSI { 288}
(( segid " A" and resid 16 and name HG ))
(( segid " A" and resid 16 and name HD1 ))
2.662 0.886 0.886 peak 288 weight 1.00000E+00 volume 1.27422E+04 ppm1 4.279 ppm2 3.474
ASSI { 289}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HG ))
2.743 0.940 0.940 peak 289 weight 1.00000E+00 volume 1.06406E+04 ppm1 4.281 ppm2 2.150
ASSI { 290}
(( segid " A" and resid 16 and name HB3 ))
(( segid " A" and resid 16 and name HG ))
2.473 0.764 0.764 peak 290 weight 1.00000E+00 volume 4.45292E+03 ppm1 4.280 ppm2 1.833
ASSI { 292}
(( segid " A" and resid 16 and name HD22))
(( segid " A" and resid 16 and name HD1 ))
1.931 0.466 0.466 peak 292 weight 1.00000E+00 volume 1.82508E+04 ppm1 3.718 ppm2 3.474
ASSI { 293}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HD22))
3.295 1.357 1.357 peak 293 weight 1.00000E+00 volume 3.54111E+03 ppm1 3.718 ppm2 2.155
ASSI { 294}
(( segid " A" and resid 16 and name HB3 ))
(( segid " A" and resid 16 and name HD22))
3.018 1.139 1.139 peak 294 weight 1.00000E+00 volume 1.66736E+03 ppm1 3.722 ppm2 1.832
ASSI { 296}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HD1 ))
3.379 1.428 1.428 peak 296 weight 1.00000E+00 volume 3.04199E+03 ppm1 3.488 ppm2 2.151
ASSI { 297}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HD1 ))
3.340 1.394 1.394 peak 297 weight 1.00000E+00 volume 6.72060E+02 ppm1 3.473 ppm2 2.147
ASSI { 298}
(( segid " A" and resid 16 and name HB3 ))
(( segid " A" and resid 16 and name HD1 ))
3.433 1.473 1.473 peak 298 weight 1.00000E+00 volume 6.56087E+02 ppm1 3.486 ppm2 1.831
ASSI { 299}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 16 and name HD1 ))
3.294 1.356 1.356 peak 299 weight 1.00000E+00 volume 8.19607E+02 ppm1 3.473 ppm2 1.833
ASSI { 301}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HB3 ))
2.003 0.502 0.502 peak 301 weight 1.00000E+00 volume 1.60247E+04 ppm1 2.150 ppm2 1.833
ASSI { 304}
(( segid " A" and resid 9 and name HD2 ))
(( segid " A" and resid 9 and name HA ))
2.960 1.095 1.095 peak 304 weight 1.00000E+00 volume 1.55861E+03 ppm1 4.077 ppm2 3.910
ASSI { 305}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HG2 ))
3.367 1.417 1.417 peak 305 weight 1.00000E+00 volume 3.10929E+03 ppm1 4.077 ppm2 2.134
ASSI { 306}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HB2 ))
2.468 0.761 0.761 peak 306 weight 1.00000E+00 volume 2.00675E+04 ppm1 4.077 ppm2 1.998
ASSI { 307}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 9 and name HA ))
3.123 1.219 1.219 peak 307 weight 1.00000E+00 volume 4.88733E+03 ppm1 4.079 ppm2 1.872
ASSI { 310}
(( segid " A" and resid 9 and name HD2 ))
(( segid " A" and resid 9 and name HD1 ))
1.976 0.488 0.488 peak 310 weight 1.00000E+00 volume 1.42787E+04 ppm1 4.028 ppm2 3.904
ASSI { 311}
(( segid " A" and resid 9 and name HD1 ))
(( segid " A" and resid 9 and name HG2 ))
2.744 0.941 0.941 peak 311 weight 1.00000E+00 volume 2.60566E+03 ppm1 4.027 ppm2 2.136
ASSI { 312}
(( segid " A" and resid 9 and name HD1 ))
(( segid " A" and resid 9 and name HB2 ))
2.523 0.796 0.796 peak 312 weight 1.00000E+00 volume 3.79748E+03 ppm1 4.026 ppm2 2.000
ASSI { 313}
(( segid " A" and resid 9 and name HD2 ))
(( segid " A" and resid 9 and name HG2 ))
2.608 0.850 0.850 peak 313 weight 1.00000E+00 volume 3.59632E+03 ppm1 3.908 ppm2 2.134
ASSI { 314}
(( segid " A" and resid 9 and name HD2 ))
(( segid " A" and resid 9 and name HB2 ))
2.571 0.826 0.826 peak 314 weight 1.00000E+00 volume 1.57058E+04 ppm1 3.907 ppm2 2.000
ASSI { 316}
(( segid " A" and resid 9 and name HG2 ))
(( segid " A" and resid 9 and name HB2 ))
1.795 0.403 0.403 peak 316 weight 1.00000E+00 volume 1.35327E+05 ppm1 2.132 ppm2 1.998
ASSI { 318}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 4 and name HN ))
2.168 0.588 0.588 peak 318 weight 1.00000E+00 volume 1.37084E+04 ppm1 8.852 ppm2 4.544
ASSI { 319}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 5 and name HN ))
2.606 0.849 0.849 peak 319 weight 1.00000E+00 volume 1.44813E+04 ppm1 8.499 ppm2 4.175
ASSI { 320}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 6 and name HN ))
3.170 1.256 1.256 peak 320 weight 1.00000E+00 volume 1.80366E+03 ppm1 8.136 ppm2 4.432
ASSI { 321}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 15 and name HN ))
2.730 0.931 0.931 peak 321 weight 1.00000E+00 volume 2.88592E+03 ppm1 7.651 ppm2 4.541
ASSI { 322}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 18 and name HN ))
2.716 0.922 0.922 peak 322 weight 1.00000E+00 volume 2.30617E+03 ppm1 7.680 ppm2 4.630
ASSI { 325}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 12 and name HB1 ))
2.695 0.908 0.908 peak 325 weight 1.00000E+00 volume 2.44076E+03 ppm1 7.918 ppm2 1.672
ASSI { 326}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HB2 ))
2.614 0.854 0.854 peak 326 weight 1.00000E+00 volume 1.41888E+04 ppm1 7.813 ppm2 1.997
ASSI { 328}
(( segid " A" and resid 1 and name HB ))
(( segid " A" and resid 1 and name HA ))
2.702 0.913 0.913 peak 328 weight 1.00000E+00 volume 3.29145E+03 ppm1 3.818 ppm2 1.921
ASSI { 329}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 1 and name HG12))
3.644 1.660 1.660 peak 329 weight 1.00000E+00 volume 1.93476E+03 ppm1 3.815 ppm2 1.174
ASSI { 330}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 1 and name HG11))
3.722 1.732 1.732 peak 330 weight 1.00000E+00 volume 7.37684E+02 ppm1 3.821 ppm2 1.455
ASSI { 331}
(( segid " A" and resid 1 and name HA ))
( segid " A" and resid 1 and name HG2#)
2.873 1.032 1.032 peak 331 weight 1.00000E+00 volume 3.00989E+03 ppm1 3.819 ppm2 0.942
ASSI { 332}
(( segid " A" and resid 1 and name HA ))
( segid " A" and resid 1 and name HD1#)
3.886 1.888 1.888 peak 332 weight 1.00000E+00 volume 6.14195E+02 ppm1 3.821 ppm2 0.873
ASSI { 334}
(( segid " A" and resid 1 and name HB ))
(( segid " A" and resid 1 and name HG11))
3.093 1.196 1.196 peak 334 weight 1.00000E+00 volume 9.95022E+02 ppm1 1.931 ppm2 1.438
ASSI { 335}
(( segid " A" and resid 1 and name HB ))
(( segid " A" and resid 1 and name HG11))
3.047 1.161 1.161 peak 335 weight 1.00000E+00 volume 5.65735E+03 ppm1 1.919 ppm2 1.442
ASSI { 336}
(( segid " A" and resid 1 and name HB ))
(( segid " A" and resid 1 and name HG12))
3.219 1.295 1.295 peak 336 weight 1.00000E+00 volume 9.12289E+02 ppm1 1.924 ppm2 1.176
ASSI { 337}
(( segid " A" and resid 1 and name HB ))
(( segid " A" and resid 1 and name HG12))
3.264 1.332 1.332 peak 337 weight 1.00000E+00 volume 3.74459E+03 ppm1 1.908 ppm2 1.169
ASSI { 338}
(( segid " A" and resid 1 and name HB ))
( segid " A" and resid 1 and name HG2#)
2.939 1.080 1.080 peak 338 weight 1.00000E+00 volume 1.78172E+03 ppm1 1.934 ppm2 0.958
ASSI { 339}
(( segid " A" and resid 1 and name HB ))
( segid " A" and resid 1 and name HG2#)
2.859 1.022 1.022 peak 339 weight 1.00000E+00 volume 8.29215E+03 ppm1 1.916 ppm2 0.942
ASSI { 340}
(( segid " A" and resid 1 and name HB ))
( segid " A" and resid 1 and name HD1#)
3.416 1.459 1.459 peak 340 weight 1.00000E+00 volume 8.13344E+02 ppm1 1.924 ppm2 0.875
ASSI { 342}
(( segid " A" and resid 1 and name HG12))
(( segid " A" and resid 1 and name HG11))
2.756 0.949 0.949 peak 342 weight 1.00000E+00 volume 1.03464E+04 ppm1 1.464 ppm2 1.191
ASSI { 343}
(( segid " A" and resid 1 and name HG12))
(( segid " A" and resid 1 and name HG11))
2.397 0.718 0.718 peak 343 weight 1.00000E+00 volume 6.19292E+03 ppm1 1.445 ppm2 1.174
ASSI { 344}
(( segid " A" and resid 1 and name HG11))
( segid " A" and resid 1 and name HG2#)
3.270 1.337 1.337 peak 344 weight 1.00000E+00 volume 1.01802E+03 ppm1 1.444 ppm2 0.936
ASSI { 345}
(( segid " A" and resid 1 and name HG11))
( segid " A" and resid 1 and name HD1#)
2.700 0.911 0.911 peak 345 weight 1.00000E+00 volume 1.17042E+04 ppm1 1.433 ppm2 0.878
ASSI { 347}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HB3 ))
3.189 1.271 1.271 peak 347 weight 1.00000E+00 volume 1.14740E+03 ppm1 8.692 ppm2 1.831
ASSI { 348}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HB2 ))
3.145 1.237 1.237 peak 348 weight 1.00000E+00 volume 1.02556E+03 ppm1 8.689 ppm2 2.147
ASSI { 349}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 4 and name HB2 ))
2.969 1.102 1.102 peak 349 weight 1.00000E+00 volume 1.85231E+03 ppm1 8.499 ppm2 2.119
ASSI { 350}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 4 and name HB1 ))
3.089 1.193 1.193 peak 350 weight 1.00000E+00 volume 5.21722E+03 ppm1 8.500 ppm2 2.002
ASSI { 351}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 18 and name HB ))
3.014 1.136 1.136 peak 351 weight 1.00000E+00 volume 6.03841E+03 ppm1 7.935 ppm2 2.133
ASSI { 352}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HG2 ))
3.009 1.132 1.132 peak 352 weight 1.00000E+00 volume 1.89029E+03 ppm1 7.814 ppm2 2.135
ASSI { 353}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 12 and name HG2 ))
3.274 1.340 1.340 peak 353 weight 1.00000E+00 volume 9.59237E+02 ppm1 7.917 ppm2 1.523
OR { 353}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 12 and name HG2 ))
ASSI { 354}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 3 and name HB2 ))
3.134 1.227 1.227 peak 354 weight 1.00000E+00 volume 4.78578E+03 ppm1 8.851 ppm2 2.842
ASSI { 355}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 3 and name HB1 ))
2.838 1.007 1.007 peak 355 weight 1.00000E+00 volume 8.66726E+03 ppm1 8.852 ppm2 2.785
ASSI { 356}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HB1 ))
3.310 1.370 1.370 peak 356 weight 1.00000E+00 volume 8.77342E+02 ppm1 7.815 ppm2 2.358
ASSI { 357}
(( segid " A" and resid 11 and name HN ))
( segid " A" and resid 10 and name HB# )
2.510 0.788 0.788 peak 357 weight 1.00000E+00 volume 1.81120E+04 ppm1 7.922 ppm2 1.362
ASSI { 358}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 2 and name HB2 ))
2.782 0.967 0.967 peak 358 weight 1.00000E+00 volume 2.07471E+03 ppm1 8.713 ppm2 1.745
ASSI { 359}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 5 and name HB1 ))
2.574 0.828 0.828 peak 359 weight 1.00000E+00 volume 1.55680E+04 ppm1 8.137 ppm2 2.764
ASSI { 360}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 15 and name HB1 ))
2.323 0.674 0.674 peak 360 weight 1.00000E+00 volume 1.17062E+04 ppm1 7.747 ppm2 2.653
ASSI { 361}
(( segid " A" and resid 19 and name HN ))
( segid " A" and resid 18 and name HG1#)
2.973 1.105 1.105 peak 361 weight 1.00000E+00 volume 1.19299E+03 ppm1 7.936 ppm2 0.909
ASSI { 362}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 13 and name HB2 ))
2.619 0.857 0.857 peak 362 weight 1.00000E+00 volume 1.40445E+04 ppm1 7.788 ppm2 3.043
ASSI { 363}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 11 and name HB1 ))
2.997 1.123 1.123 peak 363 weight 1.00000E+00 volume 1.68399E+03 ppm1 8.423 ppm2 3.311
ASSI { 364}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 1 and name HA ))
2.231 0.622 0.622 peak 364 weight 1.00000E+00 volume 1.41254E+04 ppm1 8.743 ppm2 3.820
ASSI { 365}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HD22))
3.212 1.289 1.289 peak 365 weight 1.00000E+00 volume 1.02623E+03 ppm1 8.691 ppm2 3.722
ASSI { 366}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
2.762 0.954 0.954 peak 366 weight 1.00000E+00 volume 1.02058E+04 ppm1 8.424 ppm2 4.000
ASSI { 367}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 12 and name HN ))
2.726 0.929 0.929 peak 367 weight 1.00000E+00 volume 1.10355E+04 ppm1 8.423 ppm2 4.279
ASSI { 368}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HG ))
2.915 1.063 1.063 peak 368 weight 1.00000E+00 volume 1.53071E+03 ppm1 8.687 ppm2 4.267
ASSI { 369}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HA ))
2.420 0.732 0.732 peak 369 weight 1.00000E+00 volume 2.25318E+04 ppm1 8.691 ppm2 4.456
ASSI { 370}
(( segid " A" and resid 18 and name HA ))
(( segid " A" and resid 19 and name HN ))
2.492 0.776 0.776 peak 370 weight 1.00000E+00 volume 4.50299E+03 ppm1 7.937 ppm2 4.178
ASSI { 371}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 7 and name HN ))
2.989 1.117 1.117 peak 371 weight 1.00000E+00 volume 1.98727E+03 ppm1 7.842 ppm2 4.311
ASSI { 372}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 14 and name HN ))
2.707 0.916 0.916 peak 372 weight 1.00000E+00 volume 1.15185E+04 ppm1 7.787 ppm2 4.248
ASSI { 373}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 6 and name HN ))
3.423 1.464 1.464 peak 373 weight 1.00000E+00 volume 2.81831E+03 ppm1 8.135 ppm2 4.174
ASSI { 374}
(( segid " A" and resid 15 and name HN ))
(( segid " A" and resid 16 and name HD1 ))
3.037 1.153 1.153 peak 374 weight 1.00000E+00 volume 5.77704E+03 ppm1 7.653 ppm2 3.475
ASSI { 375}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 9 and name HA ))
2.903 1.053 1.053 peak 375 weight 1.00000E+00 volume 1.69395E+03 ppm1 4.078 ppm2 1.673
ASSI { 376}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 9 and name HA ))
3.633 1.650 1.650 peak 376 weight 1.00000E+00 volume 1.97021E+03 ppm1 4.080 ppm2 1.522
ASSI { 377}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 9 and name HA ))
3.389 1.435 1.435 peak 377 weight 1.00000E+00 volume 2.99183E+03 ppm1 4.077 ppm2 1.403
ASSI { 378}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 15 and name HB1 ))
3.043 1.157 1.157 peak 378 weight 1.00000E+00 volume 1.61302E+03 ppm1 3.861 ppm2 2.653
ASSI { 379}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 16 and name HD22))
2.855 1.019 1.019 peak 379 weight 1.00000E+00 volume 1.99491E+03 ppm1 3.720 ppm2 2.653
ASSI { 380}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 16 and name HD1 ))
3.065 1.174 1.174 peak 380 weight 1.00000E+00 volume 1.28693E+03 ppm1 3.477 ppm2 2.656
ASSI { 381}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 18 and name HB ))
2.820 0.994 0.994 peak 381 weight 1.00000E+00 volume 9.00969E+03 ppm1 2.662 ppm2 2.136
ASSI { 382}
(( segid " A" and resid 16 and name HD22))
(( segid " A" and resid 16 and name HD1 ))
1.982 0.491 0.491 peak 382 weight 1.00000E+00 volume 1.36886E+04 ppm1 3.479 ppm2 3.715
ASSI { 383}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HD22))
3.178 1.263 1.263 peak 383 weight 1.00000E+00 volume 8.24417E+02 ppm1 2.152 ppm2 3.717
ASSI { 384}
(( segid " A" and resid 16 and name HB3 ))
(( segid " A" and resid 16 and name HD22))
3.038 1.154 1.154 peak 384 weight 1.00000E+00 volume 1.08581E+03 ppm1 1.837 ppm2 3.717
ASSI { 385}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 5 and name HN ))
2.638 0.870 0.870 peak 385 weight 1.00000E+00 volume 4.66414E+03 ppm1 8.852 ppm2 8.491
ASSI { 387}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 5 and name HN ))
2.547 0.811 0.811 peak 387 weight 1.00000E+00 volume 5.04126E+03 ppm1 8.499 ppm2 8.852
ASSI { 389}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 6 and name HN ))
2.594 0.841 0.841 peak 389 weight 1.00000E+00 volume 7.88622E+03 ppm1 8.499 ppm2 8.134
ASSI { 390}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 6 and name HN ))
2.581 0.833 0.833 peak 390 weight 1.00000E+00 volume 4.98144E+03 ppm1 8.136 ppm2 8.492
ASSI { 394}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 18 and name HN ))
2.702 0.912 0.912 peak 394 weight 1.00000E+00 volume 2.45499E+03 ppm1 7.680 ppm2 8.689
ASSI { 397}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 19 and name HN ))
2.629 0.864 0.864 peak 397 weight 1.00000E+00 volume 2.45244E+03 ppm1 7.681 ppm2 7.939
ASSI { 399}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 7 and name HN ))
2.581 0.833 0.833 peak 399 weight 1.00000E+00 volume 5.74945E+03 ppm1 7.841 ppm2 8.134
ASSI { 400}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 8 and name HN ))
2.698 0.910 0.910 peak 400 weight 1.00000E+00 volume 1.17397E+04 ppm1 7.858 ppm2 8.136
ASSI { 404}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 15 and name HN ))
2.506 0.785 0.785 peak 404 weight 1.00000E+00 volume 5.37825E+03 ppm1 7.652 ppm2 7.782
ASSI { 405}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 15 and name HN ))
2.467 0.761 0.761 peak 405 weight 1.00000E+00 volume 3.72968E+03 ppm1 7.786 ppm2 7.651
ASSI { 406}
(( segid " A" and resid 18 and name HN ))
(( segid " A" and resid 19 and name HN ))
2.658 0.883 0.883 peak 406 weight 1.00000E+00 volume 2.49142E+03 ppm1 7.940 ppm2 7.675
ASSI { 408}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 7 and name HN ))
2.544 0.809 0.809 peak 408 weight 1.00000E+00 volume 1.67081E+04 ppm1 8.136 ppm2 7.833
ASSI { 409}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 12 and name HN ))
3.168 1.255 1.255 peak 409 weight 1.00000E+00 volume 1.27337E+03 ppm1 7.813 ppm2 8.418
ASSI { 411}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 11 and name HN ))
2.303 0.663 0.663 peak 411 weight 1.00000E+00 volume 3.03695E+04 ppm1 7.813 ppm2 7.923
ASSI { 412}
(( segid " A" and resid 8 and name HN ))
(( segid " A" and resid 12 and name HN ))
3.201 1.281 1.281 peak 412 weight 1.00000E+00 volume 8.51724E+02 ppm1 7.851 ppm2 8.415
ASSI { 413}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 4 and name HN ))
2.949 1.087 1.087 peak 413 weight 1.00000E+00 volume 6.88862E+03 ppm1 8.714 ppm2 8.851
ASSI { 414}
(( segid " A" and resid 3 and name HN ))
(( segid " A" and resid 4 and name HN ))
2.998 1.123 1.123 peak 414 weight 1.00000E+00 volume 6.24027E+03 ppm1 8.858 ppm2 8.719
ASSI { 415}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 18 and name HN ))
2.693 0.907 0.907 peak 415 weight 1.00000E+00 volume 2.60523E+03 ppm1 8.691 ppm2 7.678
ASSI { 416}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 11 and name HB2 ))
2.994 1.121 1.121 peak 416 weight 1.00000E+00 volume 6.29027E+03 ppm1 4.002 ppm2 3.148
ASSI { 417}
(( segid " A" and resid 10 and name HA ))
(( segid " A" and resid 13 and name HB2 ))
2.779 0.966 0.966 peak 417 weight 1.00000E+00 volume 2.34624E+03 ppm1 4.197 ppm2 3.043
ASSI { 418}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 9 and name HA ))
3.291 1.354 1.354 peak 418 weight 1.00000E+00 volume 3.56356E+03 ppm1 4.077 ppm2 3.144
ASSI { 419}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 18 and name HB ))
2.979 1.109 1.109 peak 419 weight 1.00000E+00 volume 6.48540E+03 ppm1 2.134 ppm2 2.652
ASSI { 420}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 16 and name HD22))
2.565 0.822 0.822 peak 420 weight 1.00000E+00 volume 4.79204E+03 ppm1 3.719 ppm2 5.038
ASSI { 421}
(( segid " A" and resid 15 and name HA ))
(( segid " A" and resid 16 and name HD1 ))
2.647 0.876 0.876 peak 421 weight 1.00000E+00 volume 1.31733E+04 ppm1 3.476 ppm2 5.038
ASSI { 422}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 11 and name HB2 ))
3.076 1.182 1.182 peak 422 weight 1.00000E+00 volume 1.89031E+03 ppm1 4.005 ppm2 4.268
ASSI { 423}
(( segid " A" and resid 2 and name HE ))
(( segid " A" and resid 2 and name HD2 ))
2.778 0.965 0.965 peak 423 weight 1.00000E+00 volume 3.75306E+03 ppm1 7.217 ppm2 3.142
ASSI { 425}
(( segid " A" and resid 2 and name HB2 ))
(( segid " A" and resid 2 and name HE ))
3.276 1.342 1.342 peak 425 weight 1.00000E+00 volume 3.66355E+03 ppm1 7.218 ppm2 1.753
ASSI { 426}
(( segid " A" and resid 2 and name HB1 ))
(( segid " A" and resid 2 and name HE ))
3.296 1.358 1.358 peak 426 weight 1.00000E+00 volume 7.45080E+02 ppm1 7.218 ppm2 1.587
ASSI { 427}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 9 and name HA ))
3.007 1.130 1.130 peak 427 weight 1.00000E+00 volume 1.32629E+03 ppm1 3.145 ppm2 4.079
ASSI { 428}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HB1 ))
2.360 0.696 0.696 peak 428 weight 1.00000E+00 volume 7.07697E+03 ppm1 2.363 ppm2 4.077
ASSI { 429}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HG2 ))
3.070 1.178 1.178 peak 429 weight 1.00000E+00 volume 1.51341E+03 ppm1 2.139 ppm2 4.076
ASSI { 430}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HB2 ))
2.443 0.746 0.746 peak 430 weight 1.00000E+00 volume 4.91865E+03 ppm1 2.003 ppm2 4.076
ASSI { 431}
(( segid " A" and resid 9 and name HD2 ))
(( segid " A" and resid 9 and name HB1 ))
3.216 1.293 1.293 peak 431 weight 1.00000E+00 volume 4.09517E+03 ppm1 2.365 ppm2 3.901
ASSI { 432}
(( segid " A" and resid 9 and name HD2 ))
(( segid " A" and resid 9 and name HG2 ))
2.599 0.844 0.844 peak 432 weight 1.00000E+00 volume 2.99760E+03 ppm1 2.135 ppm2 3.900
ASSI { 433}
(( segid " A" and resid 9 and name HD2 ))
(( segid " A" and resid 9 and name HB2 ))
2.525 0.797 0.797 peak 433 weight 1.00000E+00 volume 3.36479E+03 ppm1 2.004 ppm2 3.903
ASSI { 434}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HB3 ))
2.024 0.512 0.512 peak 434 weight 1.00000E+00 volume 1.13208E+04 ppm1 1.842 ppm2 2.146
ASSI { 435}
(( segid " A" and resid 12 and name HD2 ))
(( segid " A" and resid 12 and name HE ))
2.354 0.693 0.693 peak 435 weight 1.00000E+00 volume 7.02574E+03 ppm1 3.146 ppm2 7.242
ASSI { 436}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HE ))
3.698 1.710 1.710 peak 436 weight 1.00000E+00 volume 4.85170E+02 ppm1 1.424 ppm2 7.260
ASSI { 437}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 12 and name HE ))
3.239 1.311 1.311 peak 437 weight 1.00000E+00 volume 3.92721E+03 ppm1 1.864 ppm2 7.244
ASSI { 438}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 12 and name HE ))
3.392 1.438 1.438 peak 438 weight 1.00000E+00 volume 2.97619E+03 ppm1 1.680 ppm2 7.244
ASSI { 440}
(( segid " A" and resid 12 and name HG2 ))
(( segid " A" and resid 12 and name HE ))
3.172 1.257 1.257 peak 440 weight 1.00000E+00 volume 1.63289E+03 ppm1 1.524 ppm2 7.244
ASSI { 442}
(( segid " A" and resid 12 and name HG1 ))
(( segid " A" and resid 12 and name HE ))
3.070 1.178 1.178 peak 442 weight 1.00000E+00 volume 1.60257E+03 ppm1 1.396 ppm2 7.243
ASSI { 443}
(( segid " A" and resid 2 and name HN ))
(( segid " A" and resid 1 and name HB ))
3.005 1.129 1.129 peak 443 weight 1.00000E+00 volume 1.89439E+03 ppm1 1.920 ppm2 8.744
ASSI { 444}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 12 and name HN ))
2.209 0.610 0.610 peak 444 weight 1.00000E+00 volume 1.15136E+04 ppm1 7.920 ppm2 8.418
ASSI { 445}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 12 and name HN ))
2.251 0.633 0.633 peak 445 weight 1.00000E+00 volume 1.27083E+04 ppm1 8.424 ppm2 7.922
ASSI { 446}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 4 and name HN ))
2.124 0.564 0.564 peak 446 weight 1.00000E+00 volume 1.03806E+04 ppm1 4.542 ppm2 8.849
ASSI { 447}
(( segid " A" and resid 17 and name HN ))
(( segid " A" and resid 16 and name HA ))
2.315 0.670 0.670 peak 447 weight 1.00000E+00 volume 8.64424E+03 ppm1 4.460 ppm2 8.689
ASSI { 448}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 5 and name HN ))
2.645 0.875 0.875 peak 448 weight 1.00000E+00 volume 3.18796E+03 ppm1 4.180 ppm2 8.491
ASSI { 449}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 12 and name HN ))
2.734 0.934 0.934 peak 449 weight 1.00000E+00 volume 1.08527E+04 ppm1 4.283 ppm2 8.419
ASSI { 450}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 11 and name HB2 ))
2.970 1.102 1.102 peak 450 weight 1.00000E+00 volume 1.76009E+03 ppm1 4.007 ppm2 8.419
ASSI { 451}
(( segid " A" and resid 12 and name HN ))
(( segid " A" and resid 9 and name HA ))
3.304 1.365 1.365 peak 451 weight 1.00000E+00 volume 3.48026E+03 ppm1 4.077 ppm2 8.421
ASSI { 452}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 3 and name HB2 ))
3.123 1.219 1.219 peak 452 weight 1.00000E+00 volume 9.79600E+02 ppm1 2.845 ppm2 8.849
ASSI { 453}
(( segid " A" and resid 4 and name HN ))
(( segid " A" and resid 3 and name HB1 ))
3.028 1.146 1.146 peak 453 weight 1.00000E+00 volume 5.87775E+03 ppm1 2.789 ppm2 8.850
ASSI { 454}
(( segid " A" and resid 14 and name HA ))
(( segid " A" and resid 15 and name HN ))
2.547 0.811 0.811 peak 454 weight 1.00000E+00 volume 1.65959E+04 ppm1 4.539 ppm2 7.646
ASSI { 455}
(( segid " A" and resid 17 and name HA ))
(( segid " A" and resid 18 and name HN ))
2.636 0.869 0.869 peak 455 weight 1.00000E+00 volume 2.43437E+03 ppm1 4.633 ppm2 7.675
ASSI { 456}
(( segid " A" and resid 6 and name HA ))
(( segid " A" and resid 7 and name HN ))
2.875 1.033 1.033 peak 456 weight 1.00000E+00 volume 1.52926E+03 ppm1 4.308 ppm2 7.836
ASSI { 457}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 6 and name HN ))
2.877 1.035 1.035 peak 457 weight 1.00000E+00 volume 2.71067E+03 ppm1 4.438 ppm2 8.135
ASSI { 458}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 10 and name HA ))
2.588 0.837 0.837 peak 458 weight 1.00000E+00 volume 4.94997E+03 ppm1 4.196 ppm2 7.807
ASSI { 459}
(( segid " A" and resid 10 and name HN ))
( segid " A" and resid 10 and name HB# )
2.316 0.671 0.671 peak 459 weight 1.00000E+00 volume 1.02230E+04 ppm1 1.363 ppm2 7.807
ASSI { 460}
(( segid " A" and resid 13 and name HA ))
(( segid " A" and resid 14 and name HN ))
2.641 0.872 0.872 peak 460 weight 1.00000E+00 volume 3.17926E+03 ppm1 4.252 ppm2 7.784
ASSI { 461}
(( segid " A" and resid 11 and name HA ))
(( segid " A" and resid 15 and name HD21))
2.980 1.110 1.110 peak 461 weight 1.00000E+00 volume 1.41319E+03 ppm1 4.284 ppm2 7.742
ASSI { 462}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HA ))
3.210 1.288 1.288 peak 462 weight 1.00000E+00 volume 4.14517E+03 ppm1 4.079 ppm2 7.806
ASSI { 463}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 12 and name HA ))
2.932 1.075 1.075 peak 463 weight 1.00000E+00 volume 2.22775E+03 ppm1 3.861 ppm2 7.921
ASSI { 464}
(( segid " A" and resid 4 and name HA ))
(( segid " A" and resid 6 and name HN ))
3.341 1.396 1.396 peak 464 weight 1.00000E+00 volume 1.21480E+03 ppm1 4.177 ppm2 8.133
ASSI { 465}
(( segid " A" and resid 14 and name HN ))
(( segid " A" and resid 13 and name HB2 ))
2.626 0.862 0.862 peak 465 weight 1.00000E+00 volume 3.26422E+03 ppm1 3.045 ppm2 7.784
ASSI { 466}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 13 and name HD# )
2.572 0.827 0.827 peak 466 weight 1.00000E+00 volume 4.79211E+03 ppm1 4.252 ppm2 7.082
ASSI { 467}
(( segid " A" and resid 12 and name HB2 ))
(( segid " A" and resid 9 and name HA ))
3.094 1.197 1.197 peak 467 weight 1.00000E+00 volume 5.16480E+03 ppm1 1.872 ppm2 4.080
ASSI { 468}
(( segid " A" and resid 12 and name HB1 ))
(( segid " A" and resid 9 and name HA ))
2.967 1.101 1.101 peak 468 weight 1.00000E+00 volume 1.70085E+03 ppm1 1.675 ppm2 4.077
ASSI { 469}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 16 and name HD22))
2.841 1.009 1.009 peak 469 weight 1.00000E+00 volume 1.89858E+03 ppm1 2.660 ppm2 3.719
ASSI { 470}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 15 and name HB1 ))
3.085 1.189 1.189 peak 470 weight 1.00000E+00 volume 1.35363E+03 ppm1 2.659 ppm2 3.854
ASSI { 471}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 16 and name HD1 ))
3.013 1.135 1.135 peak 471 weight 1.00000E+00 volume 6.05475E+03 ppm1 2.658 ppm2 3.478
ASSI { 472}
(( segid " A" and resid 14 and name HD21))
(( segid " A" and resid 14 and name HD22))
1.795 0.403 0.403 peak 472 weight 1.00000E+00 volume 6.97130E+04 ppm1 7.619 ppm2 6.964
ASSI { 475}
(( segid " A" and resid 15 and name HD21))
(( segid " A" and resid 15 and name HD22))
1.857 0.431 0.431 peak 475 weight 1.00000E+00 volume 5.06493E+04 ppm1 7.746 ppm2 7.246
ASSI { 478}
(( segid " A" and resid 8 and name HD21))
(( segid " A" and resid 8 and name HD22))
1.814 0.411 0.411 peak 478 weight 1.00000E+00 volume 4.97902E+04 ppm1 7.869 ppm2 7.172
ASSI { 482}
( segid " A" and resid 13 and name HD# )
( segid " A" and resid 13 and name HE# )
1.980 0.490 0.490 peak 482 weight 1.00000E+00 volume 3.69048E+04 ppm1 7.083 ppm2 6.774
ASSI { 484}
(( segid " A" and resid 15 and name HD21))
(( segid " A" and resid 15 and name HD22))
1.869 0.436 0.436 peak 484 weight 1.00000E+00 volume 1.06435E+05 ppm1 7.255 ppm2 7.740
ASSI { 485}
(( segid " A" and resid 8 and name HD21))
(( segid " A" and resid 8 and name HD22))
1.802 0.406 0.406 peak 485 weight 1.00000E+00 volume 4.18777E+04 ppm1 7.171 ppm2 7.867
ASSI { 486}
(( segid " A" and resid 14 and name HD21))
(( segid " A" and resid 14 and name HD22))
1.770 0.391 0.391 peak 486 weight 1.00000E+00 volume 7.42085E+04 ppm1 6.973 ppm2 7.619
ASSI { 487}
( segid " A" and resid 13 and name HD# )
( segid " A" and resid 13 and name HE# )
1.913 0.458 0.458 peak 487 weight 1.00000E+00 volume 3.31083E+04 ppm1 6.775 ppm2 7.080
ASSI { 488}
(( segid " A" and resid 3 and name HA ))
(( segid " A" and resid 5 and name HN ))
2.998 1.124 1.124 peak 488 weight 1.00000E+00 volume 1.64734E+03 ppm1 8.498 ppm2 4.543
ASSI { 489}
(( segid " A" and resid 13 and name HA ))
( segid " A" and resid 13 and name HD# )
2.448 0.749 0.749 peak 489 weight 1.00000E+00 volume 6.77054E+03 ppm1 7.085 ppm2 4.247
ASSI { 490}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 12 and name HB1 ))
2.963 1.097 1.097 peak 490 weight 1.00000E+00 volume 1.72754E+03 ppm1 1.680 ppm2 7.920
ASSI { 492}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HB2 ))
2.370 0.702 0.702 peak 492 weight 1.00000E+00 volume 7.68470E+03 ppm1 2.150 ppm2 4.456
ASSI { 493}
(( segid " A" and resid 16 and name HA ))
(( segid " A" and resid 16 and name HB3 ))
2.630 0.865 0.865 peak 493 weight 1.00000E+00 volume 1.36767E+04 ppm1 1.846 ppm2 4.456
ASSI { 494}
(( segid " A" and resid 16 and name HB2 ))
(( segid " A" and resid 16 and name HG ))
2.792 0.974 0.974 peak 494 weight 1.00000E+00 volume 2.42947E+03 ppm1 2.151 ppm2 4.272
ASSI { 495}
(( segid " A" and resid 16 and name HB3 ))
(( segid " A" and resid 16 and name HG ))
2.585 0.836 0.836 peak 495 weight 1.00000E+00 volume 1.51728E+04 ppm1 1.838 ppm2 4.274
ASSI { 496}
(( segid " A" and resid 16 and name HG ))
(( segid " A" and resid 16 and name HD22))
2.581 0.833 0.833 peak 496 weight 1.00000E+00 volume 4.39028E+03 ppm1 3.719 ppm2 4.270
ASSI { 497}
(( segid " A" and resid 16 and name HG ))
(( segid " A" and resid 16 and name HD1 ))
2.892 1.046 1.046 peak 497 weight 1.00000E+00 volume 7.73883E+03 ppm1 3.481 ppm2 4.269
ASSI { 498}
(( segid " A" and resid 9 and name HA ))
(( segid " A" and resid 9 and name HB1 ))
2.338 0.684 0.684 peak 498 weight 1.00000E+00 volume 6.53115E+03 ppm1 4.078 ppm2 2.360
ASSI { 499}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 2 and name HB2 ))
2.605 0.848 0.848 peak 499 weight 1.00000E+00 volume 1.45045E+04 ppm1 1.750 ppm2 4.298
ASSI { 500}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 2 and name HB1 ))
3.086 1.191 1.191 peak 500 weight 1.00000E+00 volume 5.24428E+03 ppm1 1.598 ppm2 4.305
ASSI { 501}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 2 and name HB1 ))
2.944 1.084 1.084 peak 501 weight 1.00000E+00 volume 1.43117E+03 ppm1 1.550 ppm2 4.305
ASSI { 502}
(( segid " A" and resid 2 and name HA ))
(( segid " A" and resid 2 and name HB1 ))
2.929 1.073 1.073 peak 502 weight 1.00000E+00 volume 1.47336E+03 ppm1 1.537 ppm2 4.307
ASSI { 503}
(( segid " A" and resid 13 and name HB2 ))
( segid " A" and resid 13 and name HD# )
2.063 0.532 0.532 peak 503 weight 1.00000E+00 volume 1.62289E+04 ppm1 7.085 ppm2 3.043
ASSI { 504}
(( segid " A" and resid 13 and name HB2 ))
( segid " A" and resid 13 and name HE# )
2.961 1.096 1.096 peak 504 weight 1.00000E+00 volume 1.60448E+03 ppm1 6.776 ppm2 3.041
ASSI { 505}
(( segid " A" and resid 12 and name HD1 ))
(( segid " A" and resid 12 and name HE ))
2.689 0.904 0.904 peak 505 weight 1.00000E+00 volume 3.97877E+03 ppm1 7.254 ppm2 2.653
ASSI { 506}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 12 and name HB2 ))
3.935 1.936 1.936 peak 506 weight 1.00000E+00 volume 3.58099E+02 ppm1 7.940 ppm2 1.892
ASSI { 507}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 12 and name HB2 ))
2.818 0.992 0.992 peak 507 weight 1.00000E+00 volume 1.84655E+03 ppm1 7.920 ppm2 1.869
ASSI { 508}
(( segid " A" and resid 19 and name HN ))
(( segid " A" and resid 18 and name HB ))
3.036 1.152 1.152 peak 508 weight 1.00000E+00 volume 1.27785E+03 ppm1 2.138 ppm2 7.930
ASSI { 509}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HB2 ))
2.738 0.937 0.937 peak 509 weight 1.00000E+00 volume 1.07456E+04 ppm1 2.004 ppm2 7.807
ASSI { 510}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 12 and name HB2 ))
3.126 1.222 1.222 peak 510 weight 1.00000E+00 volume 1.21405E+03 ppm1 1.879 ppm2 7.923
ASSI { 511}
(( segid " A" and resid 15 and name HB1 ))
( segid " A" and resid 18 and name HG1#)
2.465 0.760 0.760 peak 511 weight 1.00000E+00 volume 4.86215E+03 ppm1 2.659 ppm2 0.915
ASSI { 512}
(( segid " A" and resid 1 and name HB ))
(( segid " A" and resid 1 and name HA ))
2.742 0.940 0.940 peak 512 weight 1.00000E+00 volume 2.95835E+03 ppm1 1.925 ppm2 3.821
ASSI { 513}
(( segid " A" and resid 2 and name HB2 ))
(( segid " A" and resid 1 and name HA ))
3.543 1.569 1.569 peak 513 weight 1.00000E+00 volume 6.68776E+02 ppm1 1.747 ppm2 3.816
ASSI { 514}
(( segid " A" and resid 1 and name HA ))
(( segid " A" and resid 1 and name HG12))
3.729 1.738 1.738 peak 514 weight 1.00000E+00 volume 6.84826E+02 ppm1 1.165 ppm2 3.816
ASSI { 515}
(( segid " A" and resid 1 and name HA ))
( segid " A" and resid 1 and name HG2#)
2.850 1.015 1.015 peak 515 weight 1.00000E+00 volume 2.80132E+03 ppm1 0.953 ppm2 3.821
ASSI { 516}
(( segid " A" and resid 1 and name HA ))
( segid " A" and resid 1 and name HD1#)
3.085 1.190 1.190 peak 516 weight 1.00000E+00 volume 1.14673E+03 ppm1 0.879 ppm2 3.823
ASSI { 517}
(( segid " A" and resid 1 and name HG12))
(( segid " A" and resid 1 and name HG11))
2.466 0.760 0.760 peak 517 weight 1.00000E+00 volume 2.01387E+04 ppm1 1.179 ppm2 1.440
ASSI { 518}
(( segid " A" and resid 9 and name HD1 ))
(( segid " A" and resid 9 and name HG2 ))
2.694 0.907 0.907 peak 518 weight 1.00000E+00 volume 2.72497E+03 ppm1 2.130 ppm2 4.031
ASSI { 519}
(( segid " A" and resid 9 and name HD1 ))
(( segid " A" and resid 9 and name HB2 ))
2.395 0.717 0.717 peak 519 weight 1.00000E+00 volume 2.40307E+04 ppm1 2.003 ppm2 4.029
ASSI { 521}
(( segid " A" and resid 9 and name HG2 ))
(( segid " A" and resid 9 and name HB1 ))
2.368 0.701 0.701 peak 521 weight 1.00000E+00 volume 4.58417E+03 ppm1 2.136 ppm2 2.363
ASSI { 522}
(( segid " A" and resid 9 and name HB2 ))
(( segid " A" and resid 9 and name HB1 ))
1.965 0.483 0.483 peak 522 weight 1.00000E+00 volume 1.39568E+04 ppm1 2.004 ppm2 2.358
ASSI { 523}
(( segid " A" and resid 9 and name HG2 ))
(( segid " A" and resid 9 and name HB1 ))
2.422 0.733 0.733 peak 523 weight 1.00000E+00 volume 5.27091E+03 ppm1 2.362 ppm2 2.133
ASSI { 524}
(( segid " A" and resid 9 and name HB2 ))
(( segid " A" and resid 9 and name HB1 ))
1.963 0.482 0.482 peak 524 weight 1.00000E+00 volume 1.75217E+04 ppm1 2.362 ppm2 1.998
ASSI { 525}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 9 and name HD1 ))
2.097 0.549 0.549 peak 525 weight 1.00000E+00 volume 5.33533E+04 ppm1 4.031 ppm2 5.265
ASSI { 526}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 9 and name HD2 ))
2.120 0.562 0.562 peak 526 weight 1.00000E+00 volume 8.11340E+03 ppm1 3.910 ppm2 5.263
ASSI { 527}
(( segid " A" and resid 15 and name HB1 ))
( segid " A" and resid 18 and name HG1#)
2.566 0.823 0.823 peak 527 weight 1.00000E+00 volume 1.58777E+04 ppm1 0.923 ppm2 2.653
ASSI { 528}
(( segid " A" and resid 15 and name HB1 ))
( segid " A" and resid 18 and name HG2#)
2.914 1.061 1.061 peak 528 weight 1.00000E+00 volume 2.04662E+03 ppm1 0.883 ppm2 2.654
ASSI { 529}
(( segid " A" and resid 8 and name HA ))
(( segid " A" and resid 7 and name HB1 ))
2.546 0.810 0.810 peak 529 weight 1.00000E+00 volume 1.66360E+04 ppm1 5.268 ppm2 3.902
ASSI { 530}
(( segid " A" and resid 13 and name HB2 ))
( segid " A" and resid 13 and name HD# )
2.187 0.598 0.598 peak 530 weight 1.00000E+00 volume 1.27412E+04 ppm1 3.043 ppm2 7.082
ASSI { 531}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 15 and name HD22))
2.732 0.933 0.933 peak 531 weight 1.00000E+00 volume 1.09020E+04 ppm1 2.659 ppm2 7.246
ASSI { 532}
(( segid " A" and resid 11 and name HN ))
( segid " A" and resid 10 and name HB# )
2.642 0.873 0.873 peak 532 weight 1.00000E+00 volume 3.91980E+03 ppm1 1.365 ppm2 7.921
ASSI { 533}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HB1 ))
3.406 1.450 1.450 peak 533 weight 1.00000E+00 volume 2.90290E+03 ppm1 2.358 ppm2 7.809
ASSI { 534}
(( segid " A" and resid 13 and name HN ))
( segid " A" and resid 13 and name HD# )
2.852 1.017 1.017 peak 534 weight 1.00000E+00 volume 2.63699E+03 ppm1 7.085 ppm2 7.921
ASSI { 535}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 9 and name HD1 ))
2.928 1.072 1.072 peak 535 weight 1.00000E+00 volume 1.21451E+03 ppm1 4.017 ppm2 2.806
OR { 535}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 11 and name HB2 ))
ASSI { 536}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 11 and name HB1 ))
3.084 1.189 1.189 peak 536 weight 1.00000E+00 volume 1.47887E+03 ppm1 4.437 ppm2 3.313
ASSI { 537}
(( segid " A" and resid 5 and name HA ))
(( segid " A" and resid 11 and name HB2 ))
2.747 0.943 0.943 peak 537 weight 1.00000E+00 volume 1.86404E+03 ppm1 4.430 ppm2 4.001
ASSI { 540}
(( segid " A" and resid 5 and name HB1 ))
(( segid " A" and resid 11 and name HB2 ))
2.934 1.076 1.076 peak 540 weight 1.00000E+00 volume 7.10358E+03 ppm1 2.806 ppm2 4.013
OR { 540}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 11 and name HB2 ))
ASSI { 541}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 11 and name HN ))
2.245 0.630 0.630 peak 541 weight 1.00000E+00 volume 9.78364E+03 ppm1 7.923 ppm2 7.805
ASSI { 542}
(( segid " A" and resid 13 and name HN ))
( segid " A" and resid 13 and name HD# )
3.090 1.193 1.193 peak 542 weight 1.00000E+00 volume 2.39065E+03 ppm1 7.918 ppm2 7.081
ASSI { 544}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 9 and name HA ))
3.555 1.580 1.580 peak 544 weight 1.00000E+00 volume 2.24458E+03 ppm1 4.078 ppm2 7.923
ASSI { 545}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 9 and name HG2 ))
3.394 1.440 1.440 peak 545 weight 1.00000E+00 volume 1.18308E+03 ppm1 2.135 ppm2 7.810
ASSI { 546}
(( segid " A" and resid 12 and name HA ))
(( segid " A" and resid 13 and name HN ))
2.855 1.019 1.019 peak 546 weight 1.00000E+00 volume 1.68444E+03 ppm1 7.917 ppm2 3.858
ASSI { 547}
(( segid " A" and resid 11 and name HN ))
(( segid " A" and resid 8 and name HB2 ))
2.697 0.909 0.909 peak 547 weight 1.00000E+00 volume 1.17790E+04 ppm1 7.919 ppm2 3.146
ASSI { 548}
(( segid " A" and resid 8 and name HB1 ))
(( segid " A" and resid 8 and name HD22))
3.000 1.125 1.125 peak 548 weight 1.00000E+00 volume 1.96803E+03 ppm1 7.170 ppm2 2.806
ASSI { 549}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 14 and name HD21))
2.798 0.979 0.979 peak 549 weight 1.00000E+00 volume 2.96224E+03 ppm1 7.619 ppm2 2.712
ASSI { 550}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HD21))
2.978 1.109 1.109 peak 550 weight 1.00000E+00 volume 6.49377E+03 ppm1 7.619 ppm2 2.859
ASSI { 551}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 14 and name HD22))
3.115 1.213 1.213 peak 551 weight 1.00000E+00 volume 1.32406E+03 ppm1 6.973 ppm2 2.708
ASSI { 552}
(( segid " A" and resid 10 and name HN ))
(( segid " A" and resid 12 and name HN ))
3.264 1.332 1.332 peak 552 weight 1.00000E+00 volume 3.74485E+03 ppm1 8.424 ppm2 7.806
ASSI { 553}
(( segid " A" and resid 5 and name HN ))
(( segid " A" and resid 7 and name HN ))
3.673 1.686 1.686 peak 553 weight 1.00000E+00 volume 7.26048E+02 ppm1 8.497 ppm2 7.834
ASSI { 555}
(( segid " A" and resid 6 and name HN ))
(( segid " A" and resid 5 and name HB1 ))
2.854 1.018 1.018 peak 555 weight 1.00000E+00 volume 8.39284E+03 ppm1 2.765 ppm2 8.134
ASSI { 556}
(( segid " A" and resid 15 and name HB1 ))
(( segid " A" and resid 15 and name HD21))
2.341 0.685 0.685 peak 556 weight 1.00000E+00 volume 7.83788E+03 ppm1 2.658 ppm2 7.740
ASSI { 557}
(( segid " A" and resid 14 and name HB1 ))
(( segid " A" and resid 14 and name HD21))
2.776 0.963 0.963 peak 557 weight 1.00000E+00 volume 2.38368E+03 ppm1 2.713 ppm2 7.621
ASSI { 558}
(( segid " A" and resid 14 and name HB2 ))
(( segid " A" and resid 14 and name HD21))
3.007 1.131 1.131 peak 558 weight 1.00000E+00 volume 6.46834E+02 ppm1 2.864 ppm2 7.618
ASSI { 559}
(( segid " A" and resid 14 and name HA ))
( segid " A" and resid 13 and name HD# )
3.199 1.279 1.279 peak 559 weight 1.00000E+00 volume 9.74787E+02 ppm1 7.087 ppm2 4.542
ASSI { 561}
( segid " A" and resid 18 and name HG1#)
(( segid " A" and resid 15 and name HD21))
3.370 1.420 1.420 peak 561 weight 1.00000E+00 volume 3.09225E+03 ppm1 7.746 ppm2 0.911
ASSI { 563}
(( segid " A" and resid 13 and name HN ))
(( segid " A" and resid 13 and name HB1 ))
2.123 0.563 0.563 peak 563 weight 1.00000E+00 volume 4.95194E+04 ppm1 7.918 ppm2 3.051
ASSI { 566}
(( segid " A" and resid 11 and name HA ))
( segid " A" and resid 10 and name HB# )
3.099 1.201 1.201 peak 566 weight 1.00000E+00 volume 5.11188E+03 ppm1 4.281 ppm2 1.359
ASSI { 568}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name HB2 ))
2.648 0.876 0.876 peak 568 weight 1.00000E+00 volume 3.28306E+03 ppm1 3.227 ppm2 4.725
ASSI { 569}
(( segid " A" and resid 19 and name HA ))
(( segid " A" and resid 19 and name HB1 ))
2.845 1.012 1.012 peak 569 weight 1.00000E+00 volume 8.54731E+03 ppm1 2.712 ppm2 4.726
ASSI { 570}
(( segid " A" and resid 8 and name HB2 ))
(( segid " A" and resid 11 and name HB2 ))
2.695 0.908 0.908 peak 570 weight 1.00000E+00 volume 2.19976E+03 ppm1 3.151 ppm2 4.004
ASSI { 571}
(( segid " A" and resid 10 and name HA ))
(( segid " A" and resid 13 and name HB2 ))
2.643 0.873 0.873 peak 571 weight 1.00000E+00 volume 2.75343E+03 ppm1 3.045 ppm2 4.200
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