NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
605696 |
5frh   |
25956 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
ASSI { 1}
(( resid 74 and name HN ))
(( resid 74 and name HB2 ))
5.000 3.200 0.000 peak 1 weight 1.00000E+00 volume 1.26974E+08 ppm1 7.616 ppm2 1.750
ASSI { 4}
(( resid 74 and name HN ))
( resid 74 and name HD# )
4.000 2.200 0.000 peak 4 weight 1.00000E+00 volume 2.39856E+08 ppm1 7.617 ppm2 0.948
ASSI { 7}
(( resid 6 and name HA ))
( resid 6 and name HB# )
2.800 1.000 0.000 peak 7 weight 1.00000E+00 volume 2.04888E+09 ppm1 4.345 ppm2 1.401
ASSI { 9}
(( resid 104 and name HA ))
( resid 104 and name HB# )
2.800 1.000 0.000 peak 9 weight 1.00000E+00 volume 3.09753E+08 ppm1 4.583 ppm2 1.343
ASSI { 10}
(( resid 99 and name HA ))
( resid 99 and name HB# )
4.000 2.200 0.000 peak 10 weight 1.00000E+00 volume 1.19118E+09 ppm1 4.520 ppm2 1.340
ASSI { 11}
(( resid 101 and name HA ))
(( resid 101 and name HB1 ))
2.800 1.000 0.000 peak 11 weight 1.00000E+00 volume 8.40064E+08 ppm1 4.428 ppm2 3.862
ASSI { 14}
(( resid 91 and name HA ))
( resid 91 and name HG1#)
4.000 2.200 0.000 peak 14 weight 1.00000E+00 volume 7.77650E+08 ppm1 4.506 ppm2 1.021
ASSI { 15}
(( resid 91 and name HA ))
( resid 91 and name HG2#)
4.000 2.200 0.000 peak 15 weight 1.00000E+00 volume 1.10163E+09 ppm1 4.505 ppm2 0.979
ASSI { 17}
(( resid 78 and name HA ))
( resid 78 and name HG2#)
4.000 2.200 0.000 peak 17 weight 1.00000E+00 volume 1.49610E+09 ppm1 3.470 ppm2 0.944
ASSI { 19}
(( resid 57 and name HA ))
( resid 57 and name HG2#)
4.000 2.200 0.000 peak 19 weight 1.00000E+00 volume 9.21870E+08 ppm1 3.505 ppm2 0.836
ASSI { 21}
(( resid 78 and name HA ))
( resid 78 and name HG1#)
4.000 2.200 0.000 peak 21 weight 1.00000E+00 volume 1.20187E+09 ppm1 3.469 ppm2 0.774
ASSI { 24}
(( resid 57 and name HA ))
( resid 57 and name HG1#)
4.000 2.200 0.000 peak 24 weight 1.00000E+00 volume 1.00463E+09 ppm1 3.505 ppm2 1.074
ASSI { 25}
(( resid 92 and name HD1 ))
( resid 91 and name HG1#)
4.000 2.200 0.000 peak 25 weight 1.00000E+00 volume 4.69737E+08 ppm1 3.468 ppm2 1.021
ASSI { 26}
(( resid 57 and name HB ))
( resid 57 and name HG1#)
4.000 2.200 0.000 peak 26 weight 1.00000E+00 volume 1.18964E+09 ppm1 2.118 ppm2 1.074
ASSI { 27}
(( resid 57 and name HB ))
( resid 57 and name HG2#)
2.800 1.000 0.000 peak 27 weight 1.00000E+00 volume 2.21468E+09 ppm1 2.119 ppm2 0.830
ASSI { 30}
( resid 24 and name HD# )
(( resid 24 and name HB1 ))
4.000 2.200 0.000 peak 30 weight 1.00000E+00 volume 6.55672E+08 ppm1 6.965 ppm2 3.136
ASSI { 31}
(( resid 51 and name HA ))
(( resid 51 and name HB1 ))
4.000 2.200 0.000 peak 31 weight 1.00000E+00 volume 4.07159E+08 ppm1 4.761 ppm2 3.469
ASSI { 33}
(( resid 51 and name HA ))
(( resid 51 and name HB2 ))
4.000 2.200 0.000 peak 33 weight 1.00000E+00 volume 1.92138E+08 ppm1 4.759 ppm2 2.399
ASSI { 34}
(( resid 51 and name HB1 ))
(( resid 51 and name HB2 ))
4.000 2.200 0.000 peak 34 weight 1.00000E+00 volume 6.46437E+08 ppm1 3.465 ppm2 2.399
ASSI { 39}
( resid 56 and name HB# )
( resid 74 and name HD# )
4.000 2.200 0.000 peak 39 weight 1.00000E+00 volume 2.98988E+09 ppm1 1.322 ppm2 0.946
ASSI { 41}
(( resid 62 and name HN ))
( resid 61 and name HG2#)
5.000 3.200 0.000 peak 41 weight 1.00000E+00 volume 2.74488E+08 ppm1 7.699 ppm2 0.825
ASSI { 42}
(( resid 62 and name HN ))
( resid 61 and name HG1#)
4.000 2.200 0.000 peak 42 weight 1.00000E+00 volume 2.86134E+08 ppm1 7.699 ppm2 0.801
ASSI { 43}
(( resid 104 and name HN ))
( resid 104 and name HB# )
5.000 3.200 0.000 peak 43 weight 1.00000E+00 volume 3.86271E+08 ppm1 8.221 ppm2 1.340
ASSI { 44}
(( resid 104 and name HN ))
(( resid 103 and name HA ))
4.000 2.200 0.000 peak 44 weight 1.00000E+00 volume 1.89222E+08 ppm1 8.229 ppm2 4.469
ASSI { 45}
(( resid 22 and name HN ))
(( resid 19 and name HA ))
5.000 3.200 0.000 peak 45 weight 1.00000E+00 volume 1.45395E+08 ppm1 8.496 ppm2 4.469
ASSI { 47}
(( resid 56 and name HN ))
( resid 56 and name HB# )
4.000 2.200 0.000 peak 47 weight 1.00000E+00 volume 1.49363E+08 ppm1 8.405 ppm2 1.327
ASSI { 48}
(( resid 88 and name HN ))
(( resid 88 and name HA2 ))
2.800 1.000 0.000 peak 48 weight 1.00000E+00 volume 3.82733E+08 ppm1 7.861 ppm2 4.090
ASSI { 49}
(( resid 88 and name HN ))
(( resid 88 and name HA1 ))
2.800 1.000 0.000 peak 49 weight 1.00000E+00 volume 5.04283E+08 ppm1 7.862 ppm2 3.907
ASSI { 50}
(( resid 85 and name HN ))
(( resid 85 and name HA ))
4.000 2.200 0.000 peak 50 weight 1.00000E+00 volume 6.22471E+08 ppm1 8.048 ppm2 3.635
ASSI { 51}
(( resid 85 and name HN ))
(( resid 85 and name HB ))
2.800 1.000 0.000 peak 51 weight 1.00000E+00 volume 4.40352E+08 ppm1 8.046 ppm2 1.619
ASSI { 52}
(( resid 85 and name HN ))
( resid 85 and name HG2#)
5.000 3.200 0.000 peak 52 weight 1.00000E+00 volume 2.39787E+08 ppm1 8.047 ppm2 0.486
ASSI { 53}
(( resid 85 and name HN ))
( resid 85 and name HD1#)
5.000 3.200 0.000 peak 53 weight 1.00000E+00 volume 2.26962E+08 ppm1 8.047 ppm2 0.428
ASSI { 54}
(( resid 85 and name HN ))
( resid 84 and name HD1#)
5.000 3.200 0.000 peak 54 weight 1.00000E+00 volume 2.08482E+08 ppm1 8.046 ppm2 0.979
ASSI { 55}
(( resid 76 and name HN ))
( resid 78 and name HG2#)
5.000 3.200 0.000 peak 55 weight 1.00000E+00 volume 1.95341E+08 ppm1 8.031 ppm2 0.949
ASSI { 58}
(( resid 80 and name HN ))
(( resid 80 and name HA2 ))
2.800 1.000 0.000 peak 58 weight 1.00000E+00 volume 6.35976E+08 ppm1 8.321 ppm2 3.995
ASSI { 59}
(( resid 80 and name HN ))
(( resid 80 and name HA1 ))
2.800 1.000 0.000 peak 59 weight 1.00000E+00 volume 7.96749E+08 ppm1 8.322 ppm2 3.903
ASSI { 60}
(( resid 78 and name HN ))
( resid 78 and name HG1#)
4.000 2.200 0.000 peak 60 weight 1.00000E+00 volume 3.53860E+08 ppm1 8.529 ppm2 0.774
ASSI { 61}
(( resid 78 and name HN ))
( resid 78 and name HG2#)
4.000 2.200 0.000 peak 61 weight 1.00000E+00 volume 9.38393E+08 ppm1 8.529 ppm2 0.946
ASSI { 63}
(( resid 74 and name HN ))
(( resid 74 and name HB1 ))
4.000 2.200 0.000 peak 63 weight 1.00000E+00 volume 2.15470E+08 ppm1 7.617 ppm2 1.613
ASSI { 66}
(( resid 64 and name HN ))
( resid 64 and name HB# )
4.000 2.200 0.000 peak 66 weight 1.00000E+00 volume 5.10527E+08 ppm1 8.290 ppm2 1.402
ASSI { 68}
(( resid 62 and name HN ))
(( resid 62 and name HD1 ))
4.000 2.200 0.000 peak 68 weight 1.00000E+00 volume 1.59592E+08 ppm1 7.700 ppm2 1.466
ASSI { 69}
(( resid 62 and name HN ))
( resid 62 and name HG# )
4.000 2.200 0.000 peak 69 weight 1.00000E+00 volume 1.54633E+08 ppm1 7.699 ppm2 1.398
ASSI { 71}
(( resid 60 and name HN ))
( resid 60 and name HD1#)
5.000 3.200 0.000 peak 71 weight 1.00000E+00 volume 3.50596E+08 ppm1 7.745 ppm2 0.828
ASSI { 72}
(( resid 60 and name HN ))
( resid 60 and name HD1#)
4.000 2.200 0.000 peak 72 weight 1.00000E+00 volume 3.36473E+08 ppm1 7.745 ppm2 0.801
ASSI { 73}
(( resid 47 and name HN ))
(( resid 47 and name HA ))
4.000 2.200 0.000 peak 73 weight 1.00000E+00 volume 4.22435E+08 ppm1 8.145 ppm2 4.471
ASSI { 74}
(( resid 47 and name HN ))
(( resid 47 and name HB2 ))
4.000 2.200 0.000 peak 74 weight 1.00000E+00 volume 3.22160E+08 ppm1 8.147 ppm2 2.750
ASSI { 75}
(( resid 47 and name HN ))
(( resid 47 and name HB1 ))
4.000 2.200 0.000 peak 75 weight 1.00000E+00 volume 2.88780E+08 ppm1 8.144 ppm2 3.166
ASSI { 77}
(( resid 36 and name HN ))
( resid 36 and name HB# )
2.800 1.000 0.000 peak 77 weight 1.00000E+00 volume 1.45934E+08 ppm1 7.808 ppm2 1.737
ASSI { 78}
(( resid 36 and name HN ))
(( resid 36 and name HG2 ))
4.000 2.200 0.000 peak 78 weight 1.00000E+00 volume 1.36644E+08 ppm1 7.808 ppm2 1.377
ASSI { 79}
(( resid 35 and name HN ))
( resid 35 and name HG1#)
4.000 2.200 0.000 peak 79 weight 1.00000E+00 volume 6.78639E+08 ppm1 7.902 ppm2 1.008
ASSI { 80}
(( resid 35 and name HN ))
( resid 35 and name HG2#)
4.000 2.200 0.000 peak 80 weight 1.00000E+00 volume 3.94278E+08 ppm1 7.902 ppm2 0.906
ASSI { 81}
(( resid 34 and name HN ))
( resid 34 and name HB# )
4.000 2.200 0.000 peak 81 weight 1.00000E+00 volume 5.03637E+08 ppm1 8.151 ppm2 1.575
ASSI { 82}
(( resid 34 and name HN ))
(( resid 34 and name HA ))
4.000 2.200 0.000 peak 82 weight 1.00000E+00 volume 4.02783E+08 ppm1 8.151 ppm2 4.167
ASSI { 83}
(( resid 33 and name HN ))
(( resid 33 and name HB1 ))
4.000 2.200 0.000 peak 83 weight 1.00000E+00 volume 2.96589E+08 ppm1 7.994 ppm2 2.828
ASSI { 84}
(( resid 33 and name HN ))
(( resid 33 and name HB2 ))
4.000 2.200 0.000 peak 84 weight 1.00000E+00 volume 3.72865E+08 ppm1 7.992 ppm2 2.756
ASSI { 85}
(( resid 27 and name HN ))
(( resid 26 and name HB1 ))
4.000 2.200 0.000 peak 85 weight 1.00000E+00 volume 2.04379E+08 ppm1 7.523 ppm2 2.550
ASSI { 86}
(( resid 27 and name HN ))
(( resid 27 and name HA ))
2.800 1.000 0.000 peak 86 weight 1.00000E+00 volume 5.00874E+08 ppm1 7.522 ppm2 4.236
ASSI { 88}
(( resid 27 and name HN ))
(( resid 26 and name HB2 ))
4.000 2.200 0.000 peak 88 weight 1.00000E+00 volume 1.41371E+08 ppm1 7.525 ppm2 2.401
ASSI { 89}
(( resid 27 and name HN ))
(( resid 27 and name HB1 ))
4.000 2.200 0.000 peak 89 weight 1.00000E+00 volume 1.67528E+08 ppm1 7.523 ppm2 1.711
ASSI { 92}
(( resid 27 and name HN ))
( resid 27 and name HD# )
4.000 2.200 0.000 peak 92 weight 1.00000E+00 volume 1.64114E+08 ppm1 7.523 ppm2 1.561
ASSI { 93}
(( resid 27 and name HN ))
(( resid 27 and name HG2 ))
5.000 3.200 0.000 peak 93 weight 1.00000E+00 volume 1.45153E+08 ppm1 7.523 ppm2 1.447
ASSI { 94}
(( resid 27 and name HN ))
( resid 27 and name HE# )
5.000 3.200 0.000 peak 94 weight 1.00000E+00 volume 3.96711E+07 ppm1 7.521 ppm2 2.995
ASSI { 95}
(( resid 26 and name HN ))
(( resid 26 and name HB2 ))
4.000 2.200 0.000 peak 95 weight 1.00000E+00 volume 2.07946E+08 ppm1 8.674 ppm2 2.402
ASSI { 96}
(( resid 25 and name HN ))
(( resid 25 and name HA ))
4.000 2.200 0.000 peak 96 weight 1.00000E+00 volume 5.00830E+08 ppm1 8.109 ppm2 3.776
ASSI { 98}
(( resid 24 and name HN ))
(( resid 24 and name HA ))
2.800 1.000 0.000 peak 98 weight 1.00000E+00 volume 7.65153E+08 ppm1 8.029 ppm2 4.225
ASSI { 99}
(( resid 24 and name HN ))
(( resid 24 and name HB1 ))
2.800 1.000 0.000 peak 99 weight 1.00000E+00 volume 5.17580E+08 ppm1 8.035 ppm2 3.136
ASSI { 100}
(( resid 24 and name HN ))
(( resid 24 and name HB2 ))
2.800 1.000 0.000 peak 100 weight 1.00000E+00 volume 4.31367E+08 ppm1 8.035 ppm2 3.040
ASSI { 101}
(( resid 23 and name HN ))
(( resid 23 and name HA ))
2.800 1.000 0.000 peak 101 weight 1.00000E+00 volume 6.39847E+08 ppm1 8.077 ppm2 4.078
ASSI { 102}
(( resid 23 and name HN ))
(( resid 23 and name HG2 ))
4.000 2.200 0.000 peak 102 weight 1.00000E+00 volume 1.68064E+08 ppm1 8.063 ppm2 2.504
ASSI { 103}
(( resid 23 and name HN ))
(( resid 23 and name HG1 ))
4.000 2.200 0.000 peak 103 weight 1.00000E+00 volume 1.59875E+08 ppm1 8.065 ppm2 2.412
ASSI { 105}
(( resid 23 and name HN ))
(( resid 23 and name HB2 ))
4.000 2.200 0.000 peak 105 weight 1.00000E+00 volume 1.29458E+08 ppm1 8.061 ppm2 2.179
ASSI { 106}
(( resid 22 and name HN ))
(( resid 22 and name HA ))
4.000 2.200 0.000 peak 106 weight 1.00000E+00 volume 4.46062E+08 ppm1 8.496 ppm2 3.632
ASSI { 107}
(( resid 22 and name HN ))
(( resid 22 and name HB1 ))
2.800 1.000 0.000 peak 107 weight 1.00000E+00 volume 3.62875E+08 ppm1 8.494 ppm2 3.322
ASSI { 108}
(( resid 22 and name HN ))
(( resid 22 and name HB2 ))
2.800 1.000 0.000 peak 108 weight 1.00000E+00 volume 4.53442E+08 ppm1 8.494 ppm2 3.009
ASSI { 109}
(( resid 20 and name HN ))
(( resid 20 and name HB2 ))
4.000 2.200 0.000 peak 109 weight 1.00000E+00 volume 3.83077E+08 ppm1 8.229 ppm2 3.446
ASSI { 110}
(( resid 20 and name HN ))
(( resid 20 and name HB1 ))
4.000 2.200 0.000 peak 110 weight 1.00000E+00 volume 3.06189E+08 ppm1 8.228 ppm2 3.253
ASSI { 112}
(( resid 20 and name HN ))
(( resid 20 and name HA ))
4.000 2.200 0.000 peak 112 weight 1.00000E+00 volume 1.24746E+08 ppm1 8.227 ppm2 4.637
ASSI { 113}
(( resid 20 and name HN ))
(( resid 19 and name HB2 ))
4.000 2.200 0.000 peak 113 weight 1.00000E+00 volume 2.66304E+08 ppm1 8.229 ppm2 2.678
ASSI { 114}
(( resid 20 and name HN ))
(( resid 19 and name HB1 ))
4.000 2.200 0.000 peak 114 weight 1.00000E+00 volume 3.75291E+08 ppm1 8.229 ppm2 2.839
ASSI { 115}
(( resid 18 and name HN ))
(( resid 18 and name HA ))
4.000 2.200 0.000 peak 115 weight 1.00000E+00 volume 6.07681E+08 ppm1 8.156 ppm2 4.047
ASSI { 116}
(( resid 18 and name HN ))
(( resid 18 and name HG ))
4.000 2.200 0.000 peak 116 weight 1.00000E+00 volume 3.57018E+08 ppm1 8.152 ppm2 1.296
ASSI { 117}
(( resid 18 and name HN ))
( resid 17 and name HG2#)
4.000 2.200 0.000 peak 117 weight 1.00000E+00 volume 3.92051E+08 ppm1 8.156 ppm2 0.985
ASSI { 118}
(( resid 18 and name HN ))
( resid 18 and name HD# )
4.000 2.200 0.000 peak 118 weight 1.00000E+00 volume 3.86077E+08 ppm1 8.156 ppm2 0.625
ASSI { 119}
(( resid 17 and name HN ))
(( resid 17 and name HG12))
2.800 1.000 0.000 peak 119 weight 1.00000E+00 volume 1.91135E+08 ppm1 7.777 ppm2 1.635
ASSI { 120}
(( resid 17 and name HN ))
(( resid 17 and name HG11))
4.000 2.200 0.000 peak 120 weight 1.00000E+00 volume 1.70243E+08 ppm1 7.780 ppm2 1.267
ASSI { 121}
(( resid 17 and name HN ))
( resid 17 and name HG2#)
4.000 2.200 0.000 peak 121 weight 1.00000E+00 volume 3.57086E+08 ppm1 7.778 ppm2 0.985
ASSI { 122}
(( resid 17 and name HN ))
( resid 17 and name HD1#)
5.000 3.200 0.000 peak 122 weight 1.00000E+00 volume 1.92300E+08 ppm1 7.778 ppm2 0.867
ASSI { 123}
(( resid 17 and name HN ))
( resid 18 and name HD# )
6.000 4.200 0.000 peak 123 weight 1.00000E+00 volume 4.64094E+07 ppm1 7.770 ppm2 0.624
ASSI { 124}
(( resid 17 and name HN ))
(( resid 17 and name HA ))
4.000 2.200 0.000 peak 124 weight 1.00000E+00 volume 5.15160E+08 ppm1 7.778 ppm2 3.871
ASSI { 125}
(( resid 15 and name HN ))
( resid 15 and name HB# )
2.800 1.000 0.000 peak 125 weight 1.00000E+00 volume 1.17541E+09 ppm1 8.506 ppm2 3.962
ASSI { 126}
(( resid 13 and name HN ))
(( resid 13 and name HB2 ))
4.000 2.200 0.000 peak 126 weight 1.00000E+00 volume 1.20937E+08 ppm1 8.602 ppm2 2.864
ASSI { 127}
(( resid 13 and name HN ))
(( resid 13 and name HB1 ))
4.000 2.200 0.000 peak 127 weight 1.00000E+00 volume 1.19287E+08 ppm1 8.600 ppm2 2.774
ASSI { 129}
(( resid 32 and name HN ))
(( resid 32 and name HA ))
4.000 2.200 0.000 peak 129 weight 1.00000E+00 volume 4.28771E+08 ppm1 8.351 ppm2 4.317
ASSI { 130}
(( resid 12 and name HN ))
(( resid 12 and name HB ))
4.000 2.200 0.000 peak 130 weight 1.00000E+00 volume 1.68322E+08 ppm1 8.351 ppm2 4.141
ASSI { 131}
(( resid 12 and name HN ))
( resid 12 and name HG2#)
5.000 3.200 0.000 peak 131 weight 1.00000E+00 volume 9.61854E+07 ppm1 8.351 ppm2 1.204
ASSI { 132}
(( resid 10 and name HN ))
( resid 10 and name HB# )
4.000 2.200 0.000 peak 132 weight 1.00000E+00 volume 1.31731E+08 ppm1 8.391 ppm2 3.131
ASSI { 133}
(( resid 7 and name HN ))
( resid 7 and name HA# )
4.000 2.200 0.000 peak 133 weight 1.00000E+00 volume 4.75924E+08 ppm1 8.320 ppm2 3.930
ASSI { 134}
(( resid 6 and name HN ))
( resid 6 and name HB# )
5.000 3.200 0.000 peak 134 weight 1.00000E+00 volume 8.58701E+07 ppm1 8.419 ppm2 1.395
ASSI { 135}
(( resid 99 and name HA ))
(( resid 100 and name HD1 ))
2.800 1.000 0.000 peak 135 weight 1.00000E+00 volume 7.78714E+08 ppm1 4.520 ppm2 3.597
ASSI { 136}
(( resid 99 and name HA ))
(( resid 100 and name HD2 ))
2.800 1.000 0.000 peak 136 weight 1.00000E+00 volume 7.58354E+08 ppm1 4.521 ppm2 3.708
ASSI { 137}
(( resid 70 and name HA ))
(( resid 71 and name HD2 ))
2.800 1.000 0.000 peak 137 weight 1.00000E+00 volume 1.04284E+09 ppm1 4.352 ppm2 3.610
ASSI { 138}
(( resid 70 and name HN ))
(( resid 70 and name HA ))
2.800 1.000 0.000 peak 138 weight 1.00000E+00 volume 3.47754E+08 ppm1 8.216 ppm2 4.353
ASSI { 139}
(( resid 104 and name HN ))
(( resid 104 and name HA ))
4.000 2.200 0.000 peak 139 weight 1.00000E+00 volume 3.08203E+08 ppm1 8.216 ppm2 4.597
ASSI { 140}
(( resid 70 and name HA ))
( resid 70 and name HG# )
4.000 2.200 0.000 peak 140 weight 1.00000E+00 volume 1.73635E+09 ppm1 4.352 ppm2 0.950
ASSI { 141}
(( resid 86 and name HN ))
( resid 85 and name HG2#)
5.000 3.200 0.000 peak 141 weight 1.00000E+00 volume 1.91176E+08 ppm1 8.521 ppm2 0.486
ASSI { 142}
(( resid 86 and name HN ))
( resid 85 and name HD1#)
6.000 4.200 0.000 peak 142 weight 1.00000E+00 volume 9.05507E+07 ppm1 8.520 ppm2 0.427
ASSI { 143}
( resid 51 and name HD# )
( resid 85 and name HG2#)
6.000 4.200 0.000 peak 143 weight 1.00000E+00 volume 1.73752E+08 ppm1 7.263 ppm2 0.485
ASSI { 144}
( resid 51 and name HD# )
( resid 85 and name HD1#)
5.000 3.200 0.000 peak 144 weight 1.00000E+00 volume 3.32714E+08 ppm1 7.263 ppm2 0.427
ASSI { 145}
(( resid 86 and name HN ))
( resid 18 and name HD# )
6.000 4.200 0.000 peak 145 weight 1.00000E+00 volume 1.22891E+08 ppm1 8.512 ppm2 0.617
ASSI { 148}
(( resid 19 and name HA ))
(( resid 22 and name HB2 ))
4.000 2.200 0.000 peak 148 weight 1.00000E+00 volume 3.51027E+08 ppm1 4.466 ppm2 3.007
ASSI { 149}
(( resid 39 and name HA ))
( resid 39 and name HB# )
2.800 1.000 0.000 peak 149 weight 1.00000E+00 volume 9.60416E+08 ppm1 4.423 ppm2 2.969
ASSI { 150}
(( resid 91 and name HA ))
(( resid 92 and name HD1 ))
2.800 1.000 0.000 peak 150 weight 1.00000E+00 volume 8.30334E+08 ppm1 4.507 ppm2 3.470
ASSI { 151}
(( resid 92 and name HD2 ))
(( resid 92 and name HD1 ))
2.500 0.700 0.000 peak 151 weight 1.00000E+00 volume 2.08973E+09 ppm1 3.894 ppm2 3.470
ASSI { 153}
(( resid 102 and name HA ))
(( resid 102 and name HB1 ))
2.800 1.000 0.000 peak 153 weight 1.00000E+00 volume 1.03773E+09 ppm1 4.487 ppm2 4.106
ASSI { 154}
(( resid 70 and name HN ))
(( resid 71 and name HD2 ))
4.000 2.200 0.000 peak 154 weight 1.00000E+00 volume 1.13161E+08 ppm1 8.217 ppm2 3.611
ASSI { 155}
(( resid 70 and name HN ))
( resid 70 and name HG# )
2.800 1.000 0.000 peak 155 weight 1.00000E+00 volume 8.97333E+08 ppm1 8.214 ppm2 0.950
ASSI { 156}
(( resid 70 and name HA ))
(( resid 71 and name HD1 ))
2.500 0.700 0.000 peak 156 weight 1.00000E+00 volume 2.04325E+09 ppm1 4.351 ppm2 3.968
ASSI { 158}
(( resid 71 and name HD1 ))
(( resid 71 and name HD2 ))
2.500 0.700 0.000 peak 158 weight 1.00000E+00 volume 2.44391E+09 ppm1 3.965 ppm2 3.610
ASSI { 159}
(( resid 72 and name HN ))
(( resid 71 and name HA ))
4.000 2.200 0.000 peak 159 weight 1.00000E+00 volume 1.40797E+08 ppm1 8.787 ppm2 4.434
ASSI { 160}
(( resid 81 and name HA ))
(( resid 81 and name HD1 ))
4.000 2.200 0.000 peak 160 weight 1.00000E+00 volume 3.26915E+08 ppm1 4.242 ppm2 3.387
ASSI { 161}
(( resid 81 and name HN ))
(( resid 81 and name HA ))
2.800 1.000 0.000 peak 161 weight 1.00000E+00 volume 4.31256E+08 ppm1 7.709 ppm2 4.243
ASSI { 162}
(( resid 81 and name HN ))
(( resid 81 and name HD1 ))
5.000 3.200 0.000 peak 162 weight 1.00000E+00 volume 5.10470E+07 ppm1 7.711 ppm2 3.390
ASSI { 163}
(( resid 81 and name HN ))
(( resid 81 and name HD2 ))
5.000 3.200 0.000 peak 163 weight 1.00000E+00 volume 6.09604E+07 ppm1 7.712 ppm2 3.226
ASSI { 165}
(( resid 81 and name HA ))
(( resid 81 and name HD2 ))
4.000 2.200 0.000 peak 165 weight 1.00000E+00 volume 3.37605E+08 ppm1 4.237 ppm2 3.231
ASSI { 166}
(( resid 81 and name HD1 ))
(( resid 81 and name HD2 ))
2.800 1.000 0.000 peak 166 weight 1.00000E+00 volume 1.08573E+09 ppm1 3.382 ppm2 3.229
ASSI { 168}
(( resid 85 and name HB ))
( resid 85 and name HG2#)
4.000 2.200 0.000 peak 168 weight 1.00000E+00 volume 9.62923E+08 ppm1 1.615 ppm2 0.486
ASSI { 170}
(( resid 85 and name HB ))
( resid 85 and name HD1#)
4.000 2.200 0.000 peak 170 weight 1.00000E+00 volume 6.89886E+08 ppm1 1.618 ppm2 0.428
ASSI { 171}
(( resid 86 and name HB1 ))
( resid 85 and name HG2#)
4.000 2.200 0.000 peak 171 weight 1.00000E+00 volume 5.64745E+08 ppm1 1.658 ppm2 0.486
ASSI { 172}
(( resid 51 and name HB2 ))
( resid 53 and name HD1#)
5.000 3.200 0.000 peak 172 weight 1.00000E+00 volume 3.71161E+08 ppm1 2.395 ppm2 0.771
ASSI { 173}
(( resid 51 and name HB2 ))
( resid 85 and name HD1#)
5.000 3.200 0.000 peak 173 weight 1.00000E+00 volume 1.82798E+08 ppm1 2.393 ppm2 0.427
ASSI { 176}
(( resid 81 and name HG2 ))
( resid 85 and name HD1#)
5.000 3.200 0.000 peak 176 weight 1.00000E+00 volume 2.55564E+08 ppm1 1.790 ppm2 0.427
ASSI { 178}
( resid 17 and name HG2#)
( resid 85 and name HD1#)
6.000 4.200 0.000 peak 178 weight 1.00000E+00 volume 1.96082E+08 ppm1 1.018 ppm2 0.426
ASSI { 179}
( resid 84 and name HD1#)
( resid 85 and name HD1#)
6.000 4.200 0.000 peak 179 weight 1.00000E+00 volume 1.73534E+08 ppm1 0.975 ppm2 0.427
ASSI { 180}
( resid 84 and name HD2#)
( resid 85 and name HD1#)
5.000 3.200 0.000 peak 180 weight 1.00000E+00 volume 4.61357E+08 ppm1 0.849 ppm2 0.428
ASSI { 181}
(( resid 85 and name HG12))
( resid 85 and name HD1#)
4.000 2.200 0.000 peak 181 weight 1.00000E+00 volume 7.67412E+08 ppm1 0.762 ppm2 0.427
ASSI { 183}
( resid 18 and name HD# )
( resid 85 and name HD1#)
5.000 3.200 0.000 peak 183 weight 1.00000E+00 volume 5.10783E+08 ppm1 0.624 ppm2 0.428
ASSI { 185}
( resid 18 and name HD# )
( resid 85 and name HG2#)
5.000 3.200 0.000 peak 185 weight 1.00000E+00 volume 9.74542E+08 ppm1 0.625 ppm2 0.485
ASSI { 186}
( resid 17 and name HG2#)
( resid 85 and name HG2#)
6.000 4.200 0.000 peak 186 weight 1.00000E+00 volume 9.67466E+07 ppm1 1.023 ppm2 0.486
ASSI { 187}
( resid 84 and name HD1#)
( resid 85 and name HG2#)
6.000 4.200 0.000 peak 187 weight 1.00000E+00 volume 7.94040E+07 ppm1 0.975 ppm2 0.485
ASSI { 188}
( resid 84 and name HD2#)
( resid 85 and name HG2#)
6.000 4.200 0.000 peak 188 weight 1.00000E+00 volume 1.11375E+08 ppm1 0.850 ppm2 0.486
ASSI { 192}
(( resid 81 and name HD2 ))
( resid 85 and name HD1#)
6.000 4.200 0.000 peak 192 weight 1.00000E+00 volume 7.72206E+07 ppm1 3.230 ppm2 0.428
ASSI { 193}
(( resid 81 and name HD1 ))
( resid 85 and name HD1#)
6.000 4.200 0.000 peak 193 weight 1.00000E+00 volume 7.57096E+07 ppm1 3.386 ppm2 0.426
ASSI { 196}
(( resid 85 and name HA ))
( resid 85 and name HG2#)
4.000 2.200 0.000 peak 196 weight 1.00000E+00 volume 7.62477E+08 ppm1 3.632 ppm2 0.486
ASSI { 197}
(( resid 85 and name HA ))
( resid 85 and name HD1#)
5.000 3.200 0.000 peak 197 weight 1.00000E+00 volume 2.26074E+08 ppm1 3.632 ppm2 0.427
ASSI { 200}
(( resid 86 and name HA ))
( resid 85 and name HG2#)
5.000 3.200 0.000 peak 200 weight 1.00000E+00 volume 2.44924E+08 ppm1 4.033 ppm2 0.486
ASSI { 203}
(( resid 86 and name HA ))
(( resid 86 and name HD2 ))
4.000 2.200 0.000 peak 203 weight 1.00000E+00 volume 2.28088E+08 ppm1 4.034 ppm2 2.753
ASSI { 204}
(( resid 55 and name HA ))
(( resid 55 and name HG1 ))
4.000 2.200 0.000 peak 204 weight 1.00000E+00 volume 3.72912E+08 ppm1 3.985 ppm2 2.480
ASSI { 205}
(( resid 55 and name HA ))
(( resid 55 and name HG2 ))
4.000 2.200 0.000 peak 205 weight 1.00000E+00 volume 3.61340E+08 ppm1 3.985 ppm2 2.432
ASSI { 210}
(( resid 92 and name HA ))
(( resid 92 and name HB2 ))
2.800 1.000 0.000 peak 210 weight 1.00000E+00 volume 1.04040E+09 ppm1 4.399 ppm2 2.285
ASSI { 211}
(( resid 51 and name HA ))
( resid 85 and name HD1#)
6.000 4.200 0.000 peak 211 weight 1.00000E+00 volume 9.73683E+07 ppm1 4.763 ppm2 0.430
ASSI { 213}
(( resid 92 and name HA ))
(( resid 92 and name HG2 ))
4.000 2.200 0.000 peak 213 weight 1.00000E+00 volume 2.90105E+08 ppm1 4.397 ppm2 1.691
ASSI { 216}
( resid 17 and name HG2#)
( resid 18 and name HD# )
5.000 3.200 0.000 peak 216 weight 1.00000E+00 volume 4.69599E+08 ppm1 0.982 ppm2 0.614
ASSI { 217}
( resid 51 and name HE# )
( resid 85 and name HG2#)
6.000 4.200 0.000 peak 217 weight 1.00000E+00 volume 2.76201E+08 ppm1 6.768 ppm2 0.486
ASSI { 218}
( resid 51 and name HE# )
( resid 85 and name HD1#)
6.000 4.200 0.000 peak 218 weight 1.00000E+00 volume 1.55592E+08 ppm1 6.768 ppm2 0.427
ASSI { 219}
(( resid 86 and name HN ))
(( resid 86 and name HB1 ))
2.800 1.000 0.000 peak 219 weight 1.00000E+00 volume 1.47336E+08 ppm1 8.521 ppm2 1.831
ASSI { 220}
(( resid 18 and name HG ))
( resid 18 and name HD# )
4.000 2.200 0.000 peak 220 weight 1.00000E+00 volume 8.20009E+08 ppm1 1.291 ppm2 0.627
ASSI { 221}
(( resid 56 and name HA ))
( resid 56 and name HB# )
4.000 2.200 0.000 peak 221 weight 1.00000E+00 volume 1.57862E+09 ppm1 3.996 ppm2 1.323
ASSI { 222}
(( resid 18 and name HA ))
(( resid 18 and name HG ))
4.000 2.200 0.000 peak 222 weight 1.00000E+00 volume 4.81985E+08 ppm1 4.042 ppm2 1.295
ASSI { 223}
(( resid 18 and name HA ))
( resid 18 and name HD# )
4.000 2.200 0.000 peak 223 weight 1.00000E+00 volume 1.22078E+09 ppm1 4.044 ppm2 0.627
ASSI { 224}
(( resid 14 and name HA ))
( resid 18 and name HD# )
6.000 4.200 0.000 peak 224 weight 1.00000E+00 volume 7.86423E+07 ppm1 4.897 ppm2 0.626
ASSI { 226}
(( resid 47 and name HB2 ))
( resid 18 and name HD# )
5.000 3.200 0.000 peak 226 weight 1.00000E+00 volume 2.13699E+08 ppm1 2.755 ppm2 0.627
ASSI { 227}
(( resid 37 and name HA ))
(( resid 37 and name HB2 ))
4.000 2.200 0.000 peak 227 weight 1.00000E+00 volume 5.73371E+08 ppm1 4.166 ppm2 2.759
ASSI { 229}
(( resid 12 and name HA ))
(( resid 12 and name HB ))
2.800 1.000 0.000 peak 229 weight 1.00000E+00 volume 1.59576E+09 ppm1 4.288 ppm2 4.139
ASSI { 230}
(( resid 41 and name HA ))
(( resid 41 and name HB2 ))
4.000 2.200 0.000 peak 230 weight 1.00000E+00 volume 4.26184E+08 ppm1 4.290 ppm2 3.093
ASSI { 231}
(( resid 41 and name HA ))
(( resid 41 and name HB1 ))
4.000 2.200 0.000 peak 231 weight 1.00000E+00 volume 4.28899E+08 ppm1 4.290 ppm2 2.836
ASSI { 232}
(( resid 12 and name HA ))
( resid 12 and name HG2#)
4.000 2.200 0.000 peak 232 weight 1.00000E+00 volume 7.88209E+08 ppm1 4.288 ppm2 1.203
ASSI { 233}
(( resid 45 and name HA ))
( resid 48 and name HD1#)
5.000 3.200 0.000 peak 233 weight 1.00000E+00 volume 3.25049E+08 ppm1 4.291 ppm2 0.871
ASSI { 234}
(( resid 101 and name HA ))
(( resid 101 and name HB2 ))
4.000 2.200 0.000 peak 234 weight 1.00000E+00 volume 5.58211E+08 ppm1 4.431 ppm2 3.903
ASSI { 236}
(( resid 56 and name HN ))
( resid 53 and name HD2#)
6.000 4.200 0.000 peak 236 weight 1.00000E+00 volume 1.26259E+08 ppm1 8.405 ppm2 0.878
ASSI { 237}
(( resid 97 and name HN ))
(( resid 97 and name HA ))
4.000 2.200 0.000 peak 237 weight 1.00000E+00 volume 1.10129E+08 ppm1 8.411 ppm2 4.243
ASSI { 239}
(( resid 93 and name HN ))
(( resid 93 and name HA ))
2.800 1.000 0.000 peak 239 weight 1.00000E+00 volume 4.02840E+08 ppm1 8.528 ppm2 4.164
ASSI { 240}
(( resid 91 and name HN ))
( resid 91 and name HG1#)
5.000 3.200 0.000 peak 240 weight 1.00000E+00 volume 2.30524E+08 ppm1 8.346 ppm2 1.021
ASSI { 241}
(( resid 91 and name HN ))
( resid 91 and name HG2#)
4.000 2.200 0.000 peak 241 weight 1.00000E+00 volume 6.11265E+08 ppm1 8.346 ppm2 0.978
ASSI { 244}
(( resid 91 and name HN ))
(( resid 91 and name HA ))
2.800 1.000 0.000 peak 244 weight 1.00000E+00 volume 1.49795E+08 ppm1 8.347 ppm2 4.511
ASSI { 245}
(( resid 91 and name HB ))
( resid 91 and name HG1#)
4.000 2.200 0.000 peak 245 weight 1.00000E+00 volume 1.83579E+09 ppm1 2.102 ppm2 1.014
ASSI { 246}
(( resid 91 and name HB ))
( resid 91 and name HG2#)
4.000 2.200 0.000 peak 246 weight 1.00000E+00 volume 1.63563E+09 ppm1 2.100 ppm2 0.978
ASSI { 247}
(( resid 70 and name HB ))
( resid 70 and name HG1#)
2.800 1.000 0.000 peak 247 weight 1.00000E+00 volume 4.03631E+09 ppm1 2.079 ppm2 0.949
ASSI { 249}
(( resid 90 and name HN ))
(( resid 90 and name HA ))
2.800 1.000 0.000 peak 249 weight 1.00000E+00 volume 5.81912E+08 ppm1 8.284 ppm2 4.406
ASSI { 250}
(( resid 90 and name HN ))
(( resid 90 and name HB2 ))
4.000 2.200 0.000 peak 250 weight 1.00000E+00 volume 2.42802E+08 ppm1 8.281 ppm2 3.828
ASSI { 251}
(( resid 90 and name HN ))
(( resid 90 and name HB1 ))
4.000 2.200 0.000 peak 251 weight 1.00000E+00 volume 2.52672E+08 ppm1 8.282 ppm2 3.788
ASSI { 252}
(( resid 90 and name HA ))
(( resid 90 and name HB2 ))
2.800 1.000 0.000 peak 252 weight 1.00000E+00 volume 1.14229E+09 ppm1 4.402 ppm2 3.828
ASSI { 253}
(( resid 89 and name HN ))
(( resid 89 and name HA ))
2.800 1.000 0.000 peak 253 weight 1.00000E+00 volume 3.10947E+08 ppm1 7.888 ppm2 4.411
ASSI { 254}
(( resid 89 and name HN ))
(( resid 89 and name HG2 ))
4.000 2.200 0.000 peak 254 weight 1.00000E+00 volume 1.49064E+08 ppm1 7.889 ppm2 2.372
ASSI { 255}
(( resid 89 and name HN ))
(( resid 89 and name HG1 ))
4.000 2.200 0.000 peak 255 weight 1.00000E+00 volume 1.03733E+08 ppm1 7.888 ppm2 2.263
ASSI { 256}
(( resid 89 and name HN ))
(( resid 89 and name HB2 ))
5.000 3.200 0.000 peak 256 weight 1.00000E+00 volume 7.89471E+07 ppm1 7.889 ppm2 2.188
ASSI { 257}
(( resid 89 and name HN ))
(( resid 89 and name HB1 ))
2.800 1.000 0.000 peak 257 weight 1.00000E+00 volume 1.10743E+08 ppm1 7.888 ppm2 2.117
ASSI { 258}
(( resid 88 and name HA2 ))
(( resid 88 and name HA1 ))
2.500 0.700 0.000 peak 258 weight 1.00000E+00 volume 2.29187E+09 ppm1 4.086 ppm2 3.907
ASSI { 259}
(( resid 86 and name HN ))
(( resid 86 and name HA ))
2.800 1.000 0.000 peak 259 weight 1.00000E+00 volume 9.52993E+08 ppm1 8.518 ppm2 4.040
ASSI { 260}
(( resid 85 and name HA ))
(( resid 85 and name HB ))
4.000 2.200 0.000 peak 260 weight 1.00000E+00 volume 3.34562E+08 ppm1 3.631 ppm2 1.614
ASSI { 261}
(( resid 85 and name HA ))
(( resid 85 and name HG12))
4.000 2.200 0.000 peak 261 weight 1.00000E+00 volume 4.58198E+08 ppm1 3.635 ppm2 0.751
ASSI { 262}
(( resid 84 and name HN ))
(( resid 84 and name HA ))
2.800 1.000 0.000 peak 262 weight 1.00000E+00 volume 5.52753E+08 ppm1 7.488 ppm2 4.003
ASSI { 263}
(( resid 84 and name HN ))
(( resid 83 and name HB2 ))
4.000 2.200 0.000 peak 263 weight 1.00000E+00 volume 1.97310E+08 ppm1 7.488 ppm2 2.917
ASSI { 264}
(( resid 84 and name HN ))
(( resid 83 and name HB1 ))
4.000 2.200 0.000 peak 264 weight 1.00000E+00 volume 1.54219E+08 ppm1 7.487 ppm2 2.668
ASSI { 265}
(( resid 84 and name HN ))
( resid 85 and name HG2#)
6.000 4.200 0.000 peak 265 weight 1.00000E+00 volume 3.04131E+07 ppm1 7.489 ppm2 0.488
ASSI { 266}
(( resid 84 and name HN ))
( resid 85 and name HD1#)
6.000 4.200 0.000 peak 266 weight 1.00000E+00 volume 2.99232E+07 ppm1 7.486 ppm2 0.428
ASSI { 267}
(( resid 84 and name HN ))
( resid 84 and name HD1#)
4.000 2.200 0.000 peak 267 weight 1.00000E+00 volume 2.30623E+08 ppm1 7.488 ppm2 0.979
ASSI { 268}
(( resid 84 and name HN ))
( resid 84 and name HD2#)
4.000 2.200 0.000 peak 268 weight 1.00000E+00 volume 2.30054E+08 ppm1 7.488 ppm2 0.853
ASSI { 269}
(( resid 84 and name HN ))
(( resid 84 and name HG ))
4.000 2.200 0.000 peak 269 weight 1.00000E+00 volume 2.40244E+08 ppm1 7.488 ppm2 1.491
ASSI { 270}
(( resid 84 and name HA ))
(( resid 84 and name HG ))
4.000 2.200 0.000 peak 270 weight 1.00000E+00 volume 6.24189E+08 ppm1 4.002 ppm2 1.492
ASSI { 272}
(( resid 84 and name HA ))
( resid 84 and name HD1#)
4.000 2.200 0.000 peak 272 weight 1.00000E+00 volume 7.76529E+08 ppm1 4.003 ppm2 0.980
ASSI { 273}
(( resid 84 and name HA ))
( resid 84 and name HD2#)
2.800 1.000 0.000 peak 273 weight 1.00000E+00 volume 2.27180E+09 ppm1 4.003 ppm2 0.854
ASSI { 276}
(( resid 83 and name HN ))
(( resid 83 and name HA ))
2.800 1.000 0.000 peak 276 weight 1.00000E+00 volume 3.50941E+08 ppm1 8.663 ppm2 4.380
ASSI { 277}
(( resid 83 and name HN ))
(( resid 83 and name HB2 ))
2.800 1.000 0.000 peak 277 weight 1.00000E+00 volume 4.51717E+08 ppm1 8.662 ppm2 2.916
ASSI { 278}
(( resid 83 and name HN ))
(( resid 83 and name HB1 ))
2.800 1.000 0.000 peak 278 weight 1.00000E+00 volume 3.56948E+08 ppm1 8.662 ppm2 2.665
ASSI { 279}
(( resid 83 and name HA ))
(( resid 83 and name HB2 ))
4.000 2.200 0.000 peak 279 weight 1.00000E+00 volume 4.77397E+08 ppm1 4.380 ppm2 2.916
ASSI { 280}
(( resid 83 and name HA ))
(( resid 83 and name HB1 ))
4.000 2.200 0.000 peak 280 weight 1.00000E+00 volume 6.32867E+08 ppm1 4.377 ppm2 2.666
ASSI { 281}
(( resid 83 and name HN ))
(( resid 82 and name HA ))
4.000 2.200 0.000 peak 281 weight 1.00000E+00 volume 3.29409E+08 ppm1 8.660 ppm2 3.990
ASSI { 282}
(( resid 82 and name HN ))
(( resid 82 and name HA ))
2.800 1.000 0.000 peak 282 weight 1.00000E+00 volume 4.65054E+08 ppm1 8.557 ppm2 3.989
ASSI { 283}
(( resid 82 and name HN ))
(( resid 81 and name HA ))
4.000 2.200 0.000 peak 283 weight 1.00000E+00 volume 1.64292E+08 ppm1 8.559 ppm2 4.242
ASSI { 284}
(( resid 82 and name HN ))
( resid 82 and name HD1#)
5.000 3.200 0.000 peak 284 weight 1.00000E+00 volume 3.07530E+08 ppm1 8.557 ppm2 0.893
ASSI { 285}
(( resid 82 and name HN ))
( resid 82 and name HD1#)
5.000 3.200 0.000 peak 285 weight 1.00000E+00 volume 2.86540E+08 ppm1 8.558 ppm2 0.852
ASSI { 286}
(( resid 82 and name HN ))
(( resid 82 and name HB1 ))
2.800 1.000 0.000 peak 286 weight 1.00000E+00 volume 1.73063E+08 ppm1 8.557 ppm2 2.309
ASSI { 287}
(( resid 82 and name HN ))
(( resid 82 and name HG ))
5.000 2.200 0.000 peak 287 weight 1.00000E+00 volume 2.11936E+08 ppm1 8.556 ppm2 1.536
ASSI { 288}
(( resid 79 and name HN ))
(( resid 79 and name HA ))
2.800 1.000 0.000 peak 288 weight 1.00000E+00 volume 4.67341E+08 ppm1 8.651 ppm2 3.944
ASSI { 289}
(( resid 79 and name HN ))
( resid 79 and name HG# )
2.800 1.000 0.000 peak 289 weight 1.00000E+00 volume 4.87183E+08 ppm1 8.652 ppm2 2.553
ASSI { 290}
(( resid 79 and name HA ))
( resid 79 and name HG# )
4.000 2.200 0.000 peak 290 weight 1.00000E+00 volume 4.07883E+08 ppm1 3.940 ppm2 2.554
ASSI { 291}
(( resid 79 and name HN ))
(( resid 78 and name HA ))
4.000 2.200 0.000 peak 291 weight 1.00000E+00 volume 1.56345E+08 ppm1 8.650 ppm2 3.471
ASSI { 292}
( resid 78 and name HG2#)
( resid 78 and name HG1#)
4.000 2.200 0.000 peak 292 weight 1.00000E+00 volume 2.88466E+09 ppm1 0.941 ppm2 0.774
ASSI { 293}
(( resid 78 and name HA ))
(( resid 78 and name HB ))
4.000 2.200 0.000 peak 293 weight 1.00000E+00 volume 8.84948E+07 ppm1 3.470 ppm2 2.104
ASSI { 294}
(( resid 77 and name HN ))
( resid 76 and name HB# )
4.000 2.200 0.000 peak 294 weight 1.00000E+00 volume 5.49474E+08 ppm1 8.128 ppm2 1.463
ASSI { 296}
(( resid 76 and name HN ))
( resid 76 and name HB# )
2.800 1.000 0.000 peak 296 weight 1.00000E+00 volume 1.23663E+09 ppm1 8.035 ppm2 1.464
ASSI { 297}
(( resid 76 and name HN ))
(( resid 76 and name HA ))
2.800 1.000 0.000 peak 297 weight 1.00000E+00 volume 1.07434E+09 ppm1 8.036 ppm2 4.073
ASSI { 298}
(( resid 76 and name HA ))
( resid 76 and name HB# )
4.000 2.200 0.000 peak 298 weight 1.00000E+00 volume 1.83277E+09 ppm1 4.072 ppm2 1.460
ASSI { 300}
(( resid 74 and name HN ))
(( resid 74 and name HA ))
2.800 1.000 0.000 peak 300 weight 1.00000E+00 volume 3.98719E+08 ppm1 7.617 ppm2 4.022
ASSI { 301}
(( resid 74 and name HN ))
(( resid 73 and name HB2 ))
4.000 2.200 0.000 peak 301 weight 1.00000E+00 volume 7.40647E+07 ppm1 7.615 ppm2 2.655
ASSI { 302}
(( resid 74 and name HN ))
(( resid 73 and name HB1 ))
4.000 2.200 0.000 peak 302 weight 1.00000E+00 volume 6.65163E+07 ppm1 7.618 ppm2 2.839
ASSI { 303}
(( resid 74 and name HN ))
(( resid 74 and name HG ))
5.000 3.200 0.000 peak 303 weight 1.00000E+00 volume 1.25469E+08 ppm1 7.616 ppm2 1.547
ASSI { 304}
(( resid 74 and name HN ))
( resid 60 and name HD1#)
6.000 4.200 0.000 peak 304 weight 1.00000E+00 volume 9.18674E+07 ppm1 7.619 ppm2 0.826
ASSI { 305}
(( resid 74 and name HA ))
( resid 74 and name HD# )
2.800 1.000 0.000 peak 305 weight 1.00000E+00 volume 2.11762E+09 ppm1 4.020 ppm2 0.949
ASSI { 306}
(( resid 74 and name HA ))
(( resid 74 and name HB1 ))
2.800 1.000 0.000 peak 306 weight 1.00000E+00 volume 9.36374E+08 ppm1 4.022 ppm2 1.612
ASSI { 307}
(( resid 74 and name HB2 ))
(( resid 74 and name HB1 ))
2.500 0.700 0.000 peak 307 weight 1.00000E+00 volume 2.34230E+09 ppm1 1.751 ppm2 1.620
ASSI { 308}
(( resid 74 and name HB2 ))
( resid 74 and name HD# )
4.000 2.200 0.000 peak 308 weight 1.00000E+00 volume 1.53615E+09 ppm1 1.748 ppm2 0.944
ASSI { 309}
(( resid 74 and name HB2 ))
( resid 60 and name HD1#)
4.000 2.200 0.000 peak 309 weight 1.00000E+00 volume 1.02654E+09 ppm1 1.745 ppm2 0.827
ASSI { 310}
(( resid 69 and name HA ))
(( resid 69 and name HB1 ))
2.800 1.000 0.000 peak 310 weight 1.00000E+00 volume 6.99447E+08 ppm1 4.602 ppm2 2.687
ASSI { 311}
(( resid 72 and name HN ))
(( resid 72 and name HA1 ))
5.000 3.200 0.000 peak 311 weight 1.00000E+00 volume 8.46612E+07 ppm1 8.786 ppm2 3.866
ASSI { 312}
(( resid 72 and name HN ))
(( resid 72 and name HA2 ))
5.000 3.200 0.000 peak 312 weight 1.00000E+00 volume 1.08403E+08 ppm1 8.786 ppm2 3.969
ASSI { 313}
(( resid 70 and name HN ))
(( resid 69 and name HB2 ))
2.800 1.000 0.000 peak 313 weight 1.00000E+00 volume 3.38911E+08 ppm1 8.214 ppm2 2.612
ASSI { 314}
(( resid 69 and name HN ))
(( resid 69 and name HB1 ))
4.000 2.200 0.000 peak 314 weight 1.00000E+00 volume 1.64835E+08 ppm1 8.283 ppm2 2.688
ASSI { 315}
(( resid 69 and name HN ))
(( resid 69 and name HB2 ))
4.000 2.200 0.000 peak 315 weight 1.00000E+00 volume 4.32277E+08 ppm1 8.283 ppm2 2.611
ASSI { 316}
(( resid 69 and name HN ))
(( resid 69 and name HA ))
2.500 0.700 0.000 peak 316 weight 1.00000E+00 volume 1.86675E+08 ppm1 8.283 ppm2 4.603
ASSI { 317}
(( resid 69 and name HA ))
(( resid 69 and name HB2 ))
2.800 1.000 0.000 peak 317 weight 1.00000E+00 volume 1.71002E+09 ppm1 4.603 ppm2 2.610
ASSI { 318}
(( resid 68 and name HN ))
(( resid 68 and name HA ))
4.000 2.200 0.000 peak 318 weight 1.00000E+00 volume 2.64036E+08 ppm1 8.363 ppm2 4.585
ASSI { 319}
(( resid 68 and name HN ))
(( resid 68 and name HB1 ))
4.000 2.200 0.000 peak 319 weight 1.00000E+00 volume 1.37080E+08 ppm1 8.358 ppm2 2.688
ASSI { 320}
(( resid 68 and name HN ))
(( resid 68 and name HB2 ))
4.000 2.200 0.000 peak 320 weight 1.00000E+00 volume 1.61411E+08 ppm1 8.359 ppm2 2.604
ASSI { 321}
(( resid 65 and name HN ))
( resid 65 and name HB# )
5.000 3.200 0.000 peak 321 weight 1.00000E+00 volume 4.49960E+08 ppm1 8.250 ppm2 1.409
ASSI { 322}
(( resid 65 and name HN ))
(( resid 65 and name HA ))
2.800 1.000 0.000 peak 322 weight 1.00000E+00 volume 3.12183E+08 ppm1 8.248 ppm2 4.344
ASSI { 323}
(( resid 65 and name HA ))
( resid 65 and name HB# )
4.000 2.200 0.000 peak 323 weight 1.00000E+00 volume 1.84243E+09 ppm1 4.344 ppm2 1.408
ASSI { 324}
(( resid 63 and name HN ))
(( resid 62 and name HA ))
4.000 2.200 0.000 peak 324 weight 1.00000E+00 volume 5.85824E+08 ppm1 8.026 ppm2 4.299
ASSI { 325}
(( resid 62 and name HN ))
(( resid 62 and name HA ))
2.800 1.000 0.000 peak 325 weight 1.00000E+00 volume 4.61470E+08 ppm1 7.699 ppm2 4.302
ASSI { 326}
(( resid 50 and name HN ))
(( resid 50 and name HA ))
2.800 1.000 0.000 peak 326 weight 1.00000E+00 volume 6.76759E+08 ppm1 7.718 ppm2 3.956
ASSI { 327}
(( resid 62 and name HN ))
(( resid 61 and name HB ))
2.800 1.000 0.000 peak 327 weight 1.00000E+00 volume 5.28655E+07 ppm1 7.705 ppm2 2.127
ASSI { 330}
(( resid 61 and name HN ))
( resid 61 and name HG2#)
4.000 2.200 0.000 peak 330 weight 1.00000E+00 volume 7.16905E+08 ppm1 8.008 ppm2 0.825
ASSI { 331}
(( resid 61 and name HN ))
( resid 61 and name HG1#)
4.000 2.200 0.000 peak 331 weight 1.00000E+00 volume 8.12791E+08 ppm1 8.007 ppm2 0.801
ASSI { 332}
(( resid 61 and name HA ))
( resid 61 and name HG2#)
4.000 2.200 0.000 peak 332 weight 1.00000E+00 volume 1.44504E+09 ppm1 4.012 ppm2 0.828
ASSI { 333}
(( resid 61 and name HA ))
( resid 61 and name HG1#)
4.000 2.200 0.000 peak 333 weight 1.00000E+00 volume 9.58457E+08 ppm1 4.013 ppm2 0.803
ASSI { 334}
(( resid 60 and name HN ))
(( resid 60 and name HA ))
4.000 2.200 0.000 peak 334 weight 1.00000E+00 volume 4.75376E+08 ppm1 7.746 ppm2 4.134
ASSI { 335}
(( resid 17 and name HN ))
(( resid 16 and name HA ))
4.000 2.200 0.000 peak 335 weight 1.00000E+00 volume 2.29744E+08 ppm1 7.778 ppm2 4.080
ASSI { 336}
(( resid 60 and name HN ))
(( resid 59 and name HA ))
4.000 2.200 0.000 peak 336 weight 1.00000E+00 volume 3.54698E+08 ppm1 7.743 ppm2 4.013
ASSI { 337}
(( resid 60 and name HN ))
(( resid 57 and name HA ))
4.000 2.200 0.000 peak 337 weight 1.00000E+00 volume 2.65764E+08 ppm1 7.745 ppm2 3.508
ASSI { 339}
(( resid 5 and name HN ))
(( resid 5 and name HB1 ))
4.000 2.200 0.000 peak 339 weight 1.00000E+00 volume 2.57030E+08 ppm1 8.345 ppm2 3.829
ASSI { 340}
(( resid 91 and name HN ))
(( resid 90 and name HB1 ))
4.000 2.200 0.000 peak 340 weight 1.00000E+00 volume 2.28047E+08 ppm1 8.346 ppm2 3.788
ASSI { 341}
(( resid 8 and name HN ))
( resid 7 and name HA# )
2.800 1.000 0.000 peak 341 weight 1.00000E+00 volume 4.93631E+08 ppm1 8.183 ppm2 3.933
ASSI { 342}
(( resid 12 and name HN ))
(( resid 12 and name HA ))
2.800 1.000 0.000 peak 342 weight 1.00000E+00 volume 2.68412E+08 ppm1 8.351 ppm2 4.287
ASSI { 343}
(( resid 12 and name HB ))
( resid 12 and name HG2#)
4.000 2.200 0.000 peak 343 weight 1.00000E+00 volume 9.01812E+08 ppm1 4.134 ppm2 1.208
ASSI { 344}
(( resid 13 and name HN ))
(( resid 12 and name HA ))
4.000 2.200 0.000 peak 344 weight 1.00000E+00 volume 3.55809E+08 ppm1 8.601 ppm2 4.292
ASSI { 345}
(( resid 13 and name HN ))
(( resid 12 and name HB ))
4.000 2.200 0.000 peak 345 weight 1.00000E+00 volume 9.62768E+07 ppm1 8.601 ppm2 4.140
ASSI { 346}
(( resid 13 and name HA ))
(( resid 13 and name HB2 ))
4.000 2.200 0.000 peak 346 weight 1.00000E+00 volume 4.77172E+08 ppm1 4.701 ppm2 2.866
ASSI { 347}
(( resid 13 and name HA ))
(( resid 13 and name HB1 ))
4.000 2.200 0.000 peak 347 weight 1.00000E+00 volume 4.11133E+08 ppm1 4.702 ppm2 2.781
ASSI { 348}
(( resid 61 and name HN ))
(( resid 61 and name HA ))
4.000 2.200 0.000 peak 348 weight 1.00000E+00 volume 5.50647E+08 ppm1 7.975 ppm2 3.966
ASSI { 349}
(( resid 16 and name HN ))
( resid 15 and name HB# )
2.800 1.000 0.000 peak 349 weight 1.00000E+00 volume 6.53894E+08 ppm1 7.950 ppm2 3.950
ASSI { 350}
(( resid 17 and name HA ))
( resid 17 and name HD1#)
4.000 2.200 0.000 peak 350 weight 1.00000E+00 volume 7.91863E+08 ppm1 3.861 ppm2 0.869
ASSI { 351}
(( resid 17 and name HA ))
(( resid 17 and name HG11))
4.000 2.200 0.000 peak 351 weight 1.00000E+00 volume 3.74738E+08 ppm1 3.864 ppm2 1.266
ASSI { 352}
(( resid 17 and name HA ))
(( resid 17 and name HG12))
4.000 2.200 0.000 peak 352 weight 1.00000E+00 volume 2.93081E+08 ppm1 3.862 ppm2 1.634
ASSI { 354}
(( resid 17 and name HB ))
( resid 17 and name HD1#)
4.000 2.200 0.000 peak 354 weight 1.00000E+00 volume 1.61365E+09 ppm1 2.032 ppm2 0.875
ASSI { 357}
(( resid 17 and name HG12))
( resid 17 and name HD1#)
4.000 2.200 0.000 peak 357 weight 1.00000E+00 volume 1.46160E+09 ppm1 1.630 ppm2 0.863
ASSI { 359}
(( resid 17 and name HG11))
( resid 17 and name HD1#)
4.000 2.200 0.000 peak 359 weight 1.00000E+00 volume 8.60454E+08 ppm1 1.269 ppm2 0.858
ASSI { 360}
( resid 18 and name HB# )
( resid 18 and name HD# )
4.000 2.200 0.000 peak 360 weight 1.00000E+00 volume 1.39271E+09 ppm1 1.877 ppm2 0.626
ASSI { 361}
(( resid 19 and name HN ))
(( resid 19 and name HB1 ))
2.800 1.000 0.000 peak 361 weight 1.00000E+00 volume 5.88978E+08 ppm1 8.146 ppm2 2.843
ASSI { 362}
(( resid 19 and name HN ))
(( resid 19 and name HB2 ))
2.800 1.000 0.000 peak 362 weight 1.00000E+00 volume 4.25058E+08 ppm1 8.145 ppm2 2.678
ASSI { 363}
(( resid 19 and name HA ))
(( resid 19 and name HB2 ))
4.000 2.200 0.000 peak 363 weight 1.00000E+00 volume 6.51189E+08 ppm1 4.466 ppm2 2.677
ASSI { 364}
(( resid 19 and name HA ))
(( resid 19 and name HB1 ))
4.000 2.200 0.000 peak 364 weight 1.00000E+00 volume 5.89328E+08 ppm1 4.466 ppm2 2.843
ASSI { 365}
(( resid 19 and name HB1 ))
(( resid 19 and name HB2 ))
2.500 0.700 0.000 peak 365 weight 1.00000E+00 volume 3.69910E+09 ppm1 2.838 ppm2 2.676
ASSI { 366}
(( resid 20 and name HA ))
(( resid 20 and name HB2 ))
4.000 2.200 0.000 peak 366 weight 1.00000E+00 volume 3.88881E+08 ppm1 4.646 ppm2 3.447
ASSI { 367}
(( resid 20 and name HA ))
(( resid 20 and name HB1 ))
4.000 2.200 0.000 peak 367 weight 1.00000E+00 volume 4.12853E+08 ppm1 4.646 ppm2 3.251
ASSI { 368}
(( resid 20 and name HB2 ))
(( resid 20 and name HB1 ))
2.800 1.000 0.000 peak 368 weight 1.00000E+00 volume 1.33958E+09 ppm1 3.441 ppm2 3.251
ASSI { 369}
(( resid 21 and name HN ))
(( resid 20 and name HB1 ))
4.000 2.200 0.000 peak 369 weight 1.00000E+00 volume 2.30216E+08 ppm1 8.512 ppm2 3.252
ASSI { 370}
(( resid 21 and name HN ))
(( resid 20 and name HB2 ))
4.000 2.200 0.000 peak 370 weight 1.00000E+00 volume 2.76641E+08 ppm1 8.515 ppm2 3.445
ASSI { 371}
(( resid 21 and name HA ))
(( resid 24 and name HB2 ))
4.000 2.200 0.000 peak 371 weight 1.00000E+00 volume 3.60805E+08 ppm1 4.057 ppm2 3.039
ASSI { 372}
(( resid 21 and name HN ))
( resid 21 and name HB# )
2.800 1.000 0.000 peak 372 weight 1.00000E+00 volume 5.01385E+08 ppm1 8.517 ppm2 1.618
ASSI { 373}
(( resid 21 and name HN ))
(( resid 21 and name HG ))
4.000 2.200 0.000 peak 373 weight 1.00000E+00 volume 2.34784E+08 ppm1 8.516 ppm2 1.533
ASSI { 374}
(( resid 21 and name HA ))
( resid 21 and name HB# )
4.000 2.200 0.000 peak 374 weight 1.00000E+00 volume 6.18542E+08 ppm1 4.055 ppm2 1.617
ASSI { 375}
(( resid 21 and name HA ))
(( resid 21 and name HG ))
4.000 2.200 0.000 peak 375 weight 1.00000E+00 volume 4.46112E+08 ppm1 4.051 ppm2 1.531
ASSI { 376}
(( resid 21 and name HA ))
( resid 21 and name HD1#)
4.000 2.200 0.000 peak 376 weight 1.00000E+00 volume 1.00875E+09 ppm1 4.054 ppm2 0.724
ASSI { 377}
(( resid 21 and name HA ))
( resid 21 and name HD1#)
4.000 2.200 0.000 peak 377 weight 1.00000E+00 volume 8.00499E+08 ppm1 4.055 ppm2 0.829
ASSI { 378}
(( resid 21 and name HN ))
( resid 21 and name HD1#)
5.000 3.200 0.000 peak 378 weight 1.00000E+00 volume 2.70472E+08 ppm1 8.515 ppm2 0.829
ASSI { 379}
(( resid 21 and name HN ))
( resid 82 and name HD1#)
5.000 3.200 0.000 peak 379 weight 1.00000E+00 volume 2.65730E+08 ppm1 8.516 ppm2 0.851
ASSI { 381}
(( resid 21 and name HB1 ))
( resid 21 and name HD1#)
4.000 2.200 0.000 peak 381 weight 1.00000E+00 volume 1.44125E+09 ppm1 1.611 ppm2 0.830
ASSI { 382}
(( resid 21 and name HG ))
( resid 21 and name HD1#)
2.800 1.000 0.000 peak 382 weight 1.00000E+00 volume 2.13387E+09 ppm1 1.522 ppm2 0.829
ASSI { 383}
(( resid 23 and name HA ))
(( resid 23 and name HB2 ))
2.800 1.000 0.000 peak 383 weight 1.00000E+00 volume 2.20170E+08 ppm1 4.074 ppm2 2.181
ASSI { 384}
(( resid 16 and name HA ))
(( resid 16 and name HG2 ))
4.000 2.200 0.000 peak 384 weight 1.00000E+00 volume 3.41686E+08 ppm1 4.076 ppm2 2.270
ASSI { 385}
(( resid 23 and name HA ))
(( resid 23 and name HG1 ))
4.000 2.200 0.000 peak 385 weight 1.00000E+00 volume 4.25555E+08 ppm1 4.076 ppm2 2.403
ASSI { 386}
(( resid 23 and name HA ))
(( resid 23 and name HG2 ))
4.000 2.200 0.000 peak 386 weight 1.00000E+00 volume 3.39563E+08 ppm1 4.078 ppm2 2.504
ASSI { 387}
(( resid 25 and name HN ))
(( resid 24 and name HB2 ))
4.000 2.200 0.000 peak 387 weight 1.00000E+00 volume 2.35127E+08 ppm1 8.110 ppm2 3.039
ASSI { 388}
(( resid 25 and name HN ))
(( resid 24 and name HB1 ))
4.000 2.200 0.000 peak 388 weight 1.00000E+00 volume 2.38867E+08 ppm1 8.107 ppm2 3.137
ASSI { 390}
(( resid 25 and name HA ))
( resid 25 and name HD1#)
5.000 3.200 0.000 peak 390 weight 1.00000E+00 volume 4.30598E+08 ppm1 3.777 ppm2 1.244
ASSI { 391}
(( resid 25 and name HA ))
( resid 25 and name HD2#)
4.000 2.200 0.000 peak 391 weight 1.00000E+00 volume 1.20402E+09 ppm1 3.776 ppm2 0.759
ASSI { 392}
(( resid 25 and name HA ))
( resid 25 and name HD1#)
5.000 3.200 0.000 peak 392 weight 1.00000E+00 volume 3.71333E+08 ppm1 3.780 ppm2 0.714
ASSI { 393}
(( resid 26 and name HN ))
(( resid 26 and name HA ))
4.000 2.200 0.000 peak 393 weight 1.00000E+00 volume 2.49151E+08 ppm1 8.673 ppm2 4.176
ASSI { 394}
(( resid 26 and name HA ))
(( resid 26 and name HB1 ))
4.000 2.200 0.000 peak 394 weight 1.00000E+00 volume 3.47266E+08 ppm1 4.172 ppm2 2.549
ASSI { 395}
(( resid 26 and name HA ))
(( resid 26 and name HB2 ))
4.000 2.200 0.000 peak 395 weight 1.00000E+00 volume 3.97203E+08 ppm1 4.173 ppm2 2.404
ASSI { 396}
(( resid 27 and name HA ))
( resid 27 and name HE# )
4.000 2.200 0.000 peak 396 weight 1.00000E+00 volume 2.64157E+08 ppm1 4.230 ppm2 3.002
ASSI { 397}
(( resid 27 and name HA ))
(( resid 27 and name HB1 ))
4.000 2.200 0.000 peak 397 weight 1.00000E+00 volume 3.37263E+08 ppm1 4.236 ppm2 1.708
ASSI { 398}
(( resid 27 and name HA ))
( resid 27 and name HD# )
4.000 2.200 0.000 peak 398 weight 1.00000E+00 volume 3.43150E+08 ppm1 4.235 ppm2 1.558
ASSI { 399}
(( resid 27 and name HA ))
(( resid 27 and name HG2 ))
4.000 2.200 0.000 peak 399 weight 1.00000E+00 volume 4.59165E+08 ppm1 4.234 ppm2 1.446
ASSI { 400}
(( resid 28 and name HN ))
(( resid 27 and name HA ))
4.000 2.200 0.000 peak 400 weight 1.00000E+00 volume 5.33750E+08 ppm1 7.881 ppm2 4.235
ASSI { 401}
(( resid 31 and name HN ))
(( resid 31 and name HB1 ))
4.000 2.200 0.000 peak 401 weight 1.00000E+00 volume 2.10286E+08 ppm1 8.495 ppm2 2.748
ASSI { 402}
(( resid 31 and name HN ))
(( resid 31 and name HB2 ))
4.000 2.200 0.000 peak 402 weight 1.00000E+00 volume 1.90202E+08 ppm1 8.493 ppm2 2.706
ASSI { 405}
(( resid 32 and name HA ))
(( resid 32 and name HB2 ))
2.800 1.000 0.000 peak 405 weight 1.00000E+00 volume 1.05825E+09 ppm1 4.313 ppm2 3.899
ASSI { 407}
(( resid 34 and name HA ))
( resid 34 and name HB# )
4.000 2.200 0.000 peak 407 weight 1.00000E+00 volume 1.26542E+09 ppm1 4.166 ppm2 1.569
ASSI { 408}
(( resid 35 and name HN ))
(( resid 35 and name HA ))
2.800 1.000 0.000 peak 408 weight 1.00000E+00 volume 6.47838E+08 ppm1 7.902 ppm2 3.928
ASSI { 409}
(( resid 35 and name HN ))
(( resid 34 and name HA ))
4.000 2.200 0.000 peak 409 weight 1.00000E+00 volume 4.24601E+08 ppm1 7.903 ppm2 4.169
ASSI { 410}
(( resid 35 and name HN ))
(( resid 35 and name HB ))
2.800 1.000 0.000 peak 410 weight 1.00000E+00 volume 1.18536E+08 ppm1 7.903 ppm2 2.111
ASSI { 416}
(( resid 35 and name HA ))
( resid 35 and name HG1#)
4.000 2.200 0.000 peak 416 weight 1.00000E+00 volume 1.03100E+09 ppm1 3.927 ppm2 1.008
ASSI { 417}
(( resid 35 and name HA ))
( resid 35 and name HG2#)
4.000 2.200 0.000 peak 417 weight 1.00000E+00 volume 1.19492E+09 ppm1 3.929 ppm2 0.904
ASSI { 418}
(( resid 35 and name HB ))
( resid 35 and name HG2#)
4.000 2.200 0.000 peak 418 weight 1.00000E+00 volume 1.53110E+09 ppm1 2.102 ppm2 0.905
ASSI { 419}
(( resid 36 and name HN ))
(( resid 35 and name HA ))
4.000 2.200 0.000 peak 419 weight 1.00000E+00 volume 4.17314E+08 ppm1 7.809 ppm2 3.928
ASSI { 420}
(( resid 36 and name HN ))
(( resid 36 and name HA ))
4.000 2.200 0.000 peak 420 weight 1.00000E+00 volume 3.79607E+08 ppm1 7.808 ppm2 4.135
ASSI { 421}
(( resid 36 and name HN ))
( resid 35 and name HG2#)
5.000 3.200 0.000 peak 421 weight 1.00000E+00 volume 1.96701E+08 ppm1 7.811 ppm2 0.906
ASSI { 423}
(( resid 36 and name HN ))
( resid 35 and name HG1#)
5.000 3.200 0.000 peak 423 weight 1.00000E+00 volume 1.58694E+08 ppm1 7.812 ppm2 1.007
ASSI { 424}
(( resid 36 and name HA ))
(( resid 36 and name HB1 ))
4.000 2.200 0.000 peak 424 weight 1.00000E+00 volume 3.16410E+08 ppm1 4.132 ppm2 1.738
ASSI { 425}
(( resid 36 and name HA ))
(( resid 36 and name HD2 ))
4.000 2.200 0.000 peak 425 weight 1.00000E+00 volume 2.76880E+08 ppm1 4.131 ppm2 1.640
ASSI { 426}
(( resid 36 and name HA ))
(( resid 36 and name HG2 ))
4.000 2.200 0.000 peak 426 weight 1.00000E+00 volume 2.47393E+08 ppm1 4.135 ppm2 1.377
ASSI { 427}
(( resid 38 and name HN ))
(( resid 37 and name HA ))
4.000 2.200 0.000 peak 427 weight 1.00000E+00 volume 3.21492E+08 ppm1 8.235 ppm2 4.169
ASSI { 428}
(( resid 38 and name HN ))
(( resid 38 and name HA ))
4.000 2.200 0.000 peak 428 weight 1.00000E+00 volume 5.40569E+08 ppm1 8.233 ppm2 3.870
ASSI { 429}
(( resid 44 and name HN ))
(( resid 44 and name HA ))
4.000 2.200 0.000 peak 429 weight 1.00000E+00 volume 1.32993E+08 ppm1 7.925 ppm2 4.501
ASSI { 430}
(( resid 48 and name HN ))
(( resid 47 and name HA ))
5.000 3.200 0.000 peak 430 weight 1.00000E+00 volume 1.17343E+08 ppm1 7.913 ppm2 4.480
ASSI { 431}
(( resid 44 and name HN ))
(( resid 44 and name HB2 ))
4.000 2.200 0.000 peak 431 weight 1.00000E+00 volume 3.13261E+08 ppm1 7.922 ppm2 3.852
ASSI { 432}
(( resid 44 and name HN ))
(( resid 44 and name HB1 ))
4.000 2.200 0.000 peak 432 weight 1.00000E+00 volume 2.50599E+08 ppm1 7.929 ppm2 3.799
ASSI { 433}
(( resid 44 and name HA ))
(( resid 44 and name HB2 ))
2.800 1.000 0.000 peak 433 weight 1.00000E+00 volume 1.01514E+09 ppm1 4.501 ppm2 3.847
ASSI { 434}
(( resid 44 and name HA ))
(( resid 44 and name HB1 ))
2.800 1.000 0.000 peak 434 weight 1.00000E+00 volume 7.37461E+08 ppm1 4.498 ppm2 3.798
ASSI { 435}
(( resid 58 and name HN ))
( resid 58 and name HB# )
2.500 0.700 0.000 peak 435 weight 1.00000E+00 volume 2.21310E+08 ppm1 7.893 ppm2 1.804
ASSI { 436}
(( resid 49 and name HN ))
(( resid 49 and name HA ))
4.000 2.200 0.000 peak 436 weight 1.00000E+00 volume 2.89130E+08 ppm1 8.826 ppm2 4.312
ASSI { 438}
(( resid 49 and name HN ))
( resid 49 and name HG# )
4.000 2.200 0.000 peak 438 weight 1.00000E+00 volume 1.09032E+08 ppm1 8.825 ppm2 2.366
ASSI { 441}
(( resid 49 and name HA ))
( resid 49 and name HG# )
4.000 2.200 0.000 peak 441 weight 1.00000E+00 volume 2.70280E+08 ppm1 4.305 ppm2 2.370
ASSI { 442}
(( resid 11 and name HA ))
(( resid 11 and name HG2 ))
4.000 2.200 0.000 peak 442 weight 1.00000E+00 volume 2.37440E+08 ppm1 4.312 ppm2 2.201
ASSI { 444}
(( resid 49 and name HA ))
( resid 49 and name HB# )
4.000 2.200 0.000 peak 444 weight 1.00000E+00 volume 1.67142E+08 ppm1 4.318 ppm2 2.121
ASSI { 445}
(( resid 50 and name HN ))
( resid 50 and name HB# )
3.500 1.000 0.000 peak 445 weight 1.00000E+00 volume 1.71874E+08 ppm1 7.717 ppm2 1.770
ASSI { 446}
(( resid 50 and name HN ))
( resid 50 and name HD# )
2.800 1.000 0.000 peak 446 weight 1.00000E+00 volume 2.44878E+08 ppm1 7.720 ppm2 1.624
ASSI { 447}
(( resid 50 and name HA ))
( resid 50 and name HB# )
4.000 2.200 0.000 peak 447 weight 1.00000E+00 volume 3.41991E+08 ppm1 3.955 ppm2 1.767
ASSI { 448}
(( resid 50 and name HA ))
( resid 50 and name HD# )
4.000 2.200 0.000 peak 448 weight 1.00000E+00 volume 5.60388E+08 ppm1 3.957 ppm2 1.624
ASSI { 450}
(( resid 53 and name HN ))
( resid 53 and name HD2#)
4.000 2.200 0.000 peak 450 weight 1.00000E+00 volume 3.86014E+08 ppm1 8.150 ppm2 0.877
ASSI { 451}
(( resid 53 and name HN ))
( resid 53 and name HD1#)
4.000 2.200 0.000 peak 451 weight 1.00000E+00 volume 2.91173E+08 ppm1 8.149 ppm2 0.769
ASSI { 452}
(( resid 53 and name HA ))
( resid 53 and name HD2#)
4.000 2.200 0.000 peak 452 weight 1.00000E+00 volume 1.20231E+09 ppm1 4.520 ppm2 0.881
ASSI { 453}
(( resid 53 and name HA ))
( resid 53 and name HD1#)
5.000 3.200 0.000 peak 453 weight 1.00000E+00 volume 2.67989E+08 ppm1 4.520 ppm2 0.771
ASSI { 456}
( resid 53 and name HD2#)
( resid 53 and name HD1#)
4.000 2.200 0.000 peak 456 weight 1.00000E+00 volume 5.02199E+09 ppm1 0.877 ppm2 0.773
ASSI { 463}
(( resid 57 and name HN ))
(( resid 57 and name HA ))
4.000 2.200 0.000 peak 463 weight 1.00000E+00 volume 4.38999E+08 ppm1 8.125 ppm2 3.507
ASSI { 464}
(( resid 57 and name HN ))
( resid 56 and name HB# )
4.000 2.200 0.000 peak 464 weight 1.00000E+00 volume 5.70698E+08 ppm1 8.125 ppm2 1.323
ASSI { 465}
(( resid 57 and name HN ))
( resid 57 and name HG1#)
4.000 2.200 0.000 peak 465 weight 1.00000E+00 volume 8.06751E+08 ppm1 8.125 ppm2 1.074
ASSI { 466}
(( resid 57 and name HN ))
( resid 57 and name HG2#)
4.000 2.200 0.000 peak 466 weight 1.00000E+00 volume 4.15510E+08 ppm1 8.125 ppm2 0.837
ASSI { 467}
(( resid 48 and name HN ))
(( resid 48 and name HG ))
4.000 2.200 0.000 peak 467 weight 1.00000E+00 volume 2.66620E+08 ppm1 7.899 ppm2 1.073
ASSI { 468}
(( resid 58 and name HN ))
( resid 57 and name HG2#)
4.000 2.200 0.000 peak 468 weight 1.00000E+00 volume 2.63699E+08 ppm1 7.894 ppm2 0.839
ASSI { 469}
(( resid 58 and name HN ))
(( resid 58 and name HG2 ))
4.000 2.200 0.000 peak 469 weight 1.00000E+00 volume 2.36237E+08 ppm1 7.900 ppm2 1.340
ASSI { 470}
(( resid 59 and name HN ))
(( resid 59 and name HA ))
2.800 1.000 0.000 peak 470 weight 1.00000E+00 volume 6.61782E+08 ppm1 7.405 ppm2 4.012
ASSI { 471}
(( resid 59 and name HN ))
(( resid 58 and name HA ))
5.000 3.200 0.000 peak 471 weight 1.00000E+00 volume 1.45630E+08 ppm1 7.404 ppm2 3.647
ASSI { 472}
(( resid 59 and name HN ))
(( resid 59 and name HB1 ))
4.000 2.200 0.000 peak 472 weight 1.00000E+00 volume 1.17887E+08 ppm1 7.406 ppm2 1.791
ASSI { 473}
(( resid 59 and name HN ))
( resid 59 and name HD# )
2.800 1.000 0.000 peak 473 weight 1.00000E+00 volume 1.97719E+08 ppm1 7.405 ppm2 1.608
ASSI { 474}
(( resid 59 and name HN ))
(( resid 59 and name HG2 ))
5.000 3.200 0.000 peak 474 weight 1.00000E+00 volume 1.40149E+08 ppm1 7.406 ppm2 1.410
ASSI { 475}
(( resid 59 and name HA ))
(( resid 59 and name HB1 ))
4.000 2.200 0.000 peak 475 weight 1.00000E+00 volume 4.04857E+08 ppm1 4.007 ppm2 1.793
ASSI { 476}
(( resid 59 and name HA ))
(( resid 59 and name HD1 ))
2.800 1.000 0.000 peak 476 weight 1.00000E+00 volume 9.36374E+08 ppm1 4.012 ppm2 1.609
ASSI { 477}
(( resid 59 and name HA ))
(( resid 59 and name HG2 ))
2.800 1.000 0.000 peak 477 weight 1.00000E+00 volume 7.93045E+08 ppm1 4.011 ppm2 1.406
ASSI { 478}
( resid 59 and name HD# )
(( resid 59 and name HG2 ))
2.500 0.700 0.000 peak 478 weight 1.00000E+00 volume 2.42644E+09 ppm1 1.607 ppm2 1.408
ASSI { 479}
(( resid 58 and name HN ))
(( resid 58 and name HA ))
2.800 1.000 0.000 peak 479 weight 1.00000E+00 volume 5.26438E+08 ppm1 7.893 ppm2 3.644
ASSI { 480}
(( resid 58 and name HN ))
(( resid 57 and name HA ))
4.000 2.200 0.000 peak 480 weight 1.00000E+00 volume 1.76785E+08 ppm1 7.893 ppm2 3.507
ASSI { 481}
(( resid 47 and name HA ))
(( resid 47 and name HB1 ))
4.000 2.200 0.000 peak 481 weight 1.00000E+00 volume 4.54272E+08 ppm1 4.476 ppm2 3.169
ASSI { 482}
(( resid 47 and name HA ))
(( resid 47 and name HB2 ))
4.000 2.200 0.000 peak 482 weight 1.00000E+00 volume 6.21551E+08 ppm1 4.475 ppm2 2.751
ASSI { 483}
(( resid 47 and name HB1 ))
(( resid 47 and name HB2 ))
2.800 1.000 0.000 peak 483 weight 1.00000E+00 volume 1.26757E+09 ppm1 3.164 ppm2 2.751
ASSI { 484}
(( resid 14 and name HA ))
(( resid 47 and name HB2 ))
5.000 3.200 0.000 peak 484 weight 1.00000E+00 volume 1.25344E+08 ppm1 4.897 ppm2 2.753
ASSI { 485}
(( resid 14 and name HA ))
( resid 14 and name HB# )
4.000 2.200 0.000 peak 485 weight 1.00000E+00 volume 5.03588E+08 ppm1 4.898 ppm2 3.187
ASSI { 486}
( resid 51 and name HE# )
( resid 14 and name HB# )
5.000 3.200 0.000 peak 486 weight 1.00000E+00 volume 2.80775E+08 ppm1 6.768 ppm2 3.185
ASSI { 487}
(( resid 91 and name HN ))
(( resid 90 and name HA ))
2.500 0.700 0.000 peak 487 weight 1.00000E+00 volume 1.10201E+09 ppm1 8.346 ppm2 4.403
ASSI { 488}
(( resid 37 and name HA ))
(( resid 37 and name HB1 ))
4.000 2.200 0.000 peak 488 weight 1.00000E+00 volume 5.38419E+08 ppm1 4.166 ppm2 2.829
ASSI { 489}
(( resid 60 and name HA ))
(( resid 60 and name HG ))
4.000 2.200 0.000 peak 489 weight 1.00000E+00 volume 4.99832E+08 ppm1 4.131 ppm2 1.508
ASSI { 490}
(( resid 60 and name HA ))
( resid 60 and name HD1#)
4.000 2.200 0.000 peak 490 weight 1.00000E+00 volume 1.50060E+09 ppm1 4.131 ppm2 0.828
ASSI { 491}
(( resid 60 and name HA ))
( resid 60 and name HD1#)
4.000 2.200 0.000 peak 491 weight 1.00000E+00 volume 5.65543E+08 ppm1 4.132 ppm2 0.799
ASSI { 492}
(( resid 60 and name HB1 ))
(( resid 60 and name HG ))
2.800 1.000 0.000 peak 492 weight 1.00000E+00 volume 1.30714E+09 ppm1 1.979 ppm2 1.508
ASSI { 493}
(( resid 60 and name HB1 ))
( resid 60 and name HD1#)
4.000 2.200 0.000 peak 493 weight 1.00000E+00 volume 1.45057E+09 ppm1 1.982 ppm2 0.827
ASSI { 494}
(( resid 60 and name HB1 ))
( resid 60 and name HD1#)
4.000 2.200 0.000 peak 494 weight 1.00000E+00 volume 1.31377E+09 ppm1 1.980 ppm2 0.799
ASSI { 495}
(( resid 60 and name HG ))
( resid 60 and name HD1#)
4.000 2.200 0.000 peak 495 weight 1.00000E+00 volume 1.22050E+09 ppm1 1.511 ppm2 0.803
ASSI { 497}
(( resid 62 and name HA ))
(( resid 62 and name HB2 ))
2.800 1.000 0.000 peak 497 weight 1.00000E+00 volume 2.54468E+08 ppm1 4.296 ppm2 1.824
ASSI { 498}
(( resid 62 and name HA ))
(( resid 62 and name HB1 ))
4.000 2.200 0.000 peak 498 weight 1.00000E+00 volume 3.56215E+08 ppm1 4.295 ppm2 1.636
ASSI { 500}
(( resid 62 and name HA ))
(( resid 62 and name HD1 ))
4.000 2.200 0.000 peak 500 weight 1.00000E+00 volume 3.50316E+08 ppm1 4.302 ppm2 1.466
ASSI { 501}
(( resid 63 and name HN ))
( resid 63 and name HD# )
4.000 2.200 0.000 peak 501 weight 1.00000E+00 volume 1.70098E+08 ppm1 8.030 ppm2 3.203
ASSI { 502}
(( resid 99 and name HN ))
(( resid 98 and name HA ))
4.000 2.200 0.000 peak 502 weight 1.00000E+00 volume 5.67181E+08 ppm1 8.221 ppm2 4.290
ASSI { 503}
(( resid 22 and name HA ))
(( resid 22 and name HB1 ))
4.000 2.200 0.000 peak 503 weight 1.00000E+00 volume 4.55552E+08 ppm1 3.625 ppm2 3.317
ASSI { 505}
(( resid 22 and name HA ))
(( resid 22 and name HB2 ))
4.000 2.200 0.000 peak 505 weight 1.00000E+00 volume 4.89581E+08 ppm1 3.626 ppm2 3.017
ASSI { 506}
(( resid 22 and name HB1 ))
(( resid 22 and name HB2 ))
2.800 1.000 0.000 peak 506 weight 1.00000E+00 volume 9.89829E+08 ppm1 3.318 ppm2 3.010
ASSI { 507}
(( resid 24 and name HA ))
(( resid 24 and name HB1 ))
4.000 2.200 0.000 peak 507 weight 1.00000E+00 volume 5.23992E+08 ppm1 4.226 ppm2 3.136
ASSI { 508}
(( resid 24 and name HA ))
(( resid 24 and name HB2 ))
4.000 2.200 0.000 peak 508 weight 1.00000E+00 volume 3.43176E+08 ppm1 4.226 ppm2 3.044
ASSI { 509}
(( resid 21 and name HA ))
(( resid 24 and name HB1 ))
4.000 2.200 0.000 peak 509 weight 1.00000E+00 volume 3.35476E+08 ppm1 4.057 ppm2 3.136
ASSI { 510}
(( resid 41 and name HB2 ))
(( resid 41 and name HB1 ))
2.800 1.000 0.000 peak 510 weight 1.00000E+00 volume 1.44664E+09 ppm1 3.087 ppm2 2.833
ASSI { 511}
( resid 37 and name HD# )
(( resid 37 and name HA ))
4.000 2.200 0.000 peak 511 weight 1.00000E+00 volume 6.16056E+08 ppm1 6.889 ppm2 4.169
ASSI { 512}
( resid 41 and name HD# )
(( resid 41 and name HA ))
4.000 2.200 0.000 peak 512 weight 1.00000E+00 volume 5.71768E+08 ppm1 7.070 ppm2 4.292
ASSI { 513}
( resid 41 and name HD# )
(( resid 37 and name HA ))
4.000 2.200 0.000 peak 513 weight 1.00000E+00 volume 4.17909E+08 ppm1 7.067 ppm2 4.166
ASSI { 519}
( resid 24 and name HD# )
(( resid 24 and name HA ))
4.000 2.200 0.000 peak 519 weight 1.00000E+00 volume 6.71197E+08 ppm1 6.962 ppm2 4.226
ASSI { 520}
( resid 22 and name HD# )
(( resid 22 and name HA ))
4.000 2.200 0.000 peak 520 weight 1.00000E+00 volume 4.67848E+08 ppm1 6.955 ppm2 3.633
ASSI { 521}
( resid 22 and name HD# )
(( resid 22 and name HB1 ))
4.000 2.200 0.000 peak 521 weight 1.00000E+00 volume 4.80290E+08 ppm1 6.954 ppm2 3.322
ASSI { 522}
( resid 22 and name HD# )
(( resid 22 and name HB2 ))
4.000 2.200 0.000 peak 522 weight 1.00000E+00 volume 8.27959E+08 ppm1 6.958 ppm2 3.028
ASSI { 523}
( resid 51 and name HD# )
(( resid 51 and name HB2 ))
4.000 2.200 0.000 peak 523 weight 1.00000E+00 volume 3.75411E+08 ppm1 7.263 ppm2 2.399
ASSI { 524}
( resid 51 and name HD# )
(( resid 51 and name HB1 ))
4.000 2.200 0.000 peak 524 weight 1.00000E+00 volume 6.01000E+08 ppm1 7.263 ppm2 3.470
ASSI { 526}
( resid 51 and name HD# )
(( resid 50 and name HA ))
5.000 3.200 0.000 peak 526 weight 1.00000E+00 volume 1.01643E+08 ppm1 7.263 ppm2 3.959
ASSI { 527}
( resid 51 and name HD# )
(( resid 48 and name HA ))
5.000 3.200 0.000 peak 527 weight 1.00000E+00 volume 1.69047E+08 ppm1 7.262 ppm2 4.191
ASSI { 528}
(( resid 49 and name HN ))
(( resid 48 and name HA ))
5.000 3.200 0.000 peak 528 weight 1.00000E+00 volume 9.54687E+07 ppm1 8.827 ppm2 4.191
ASSI { 529}
( resid 51 and name HD# )
(( resid 47 and name HA ))
6.000 4.200 0.000 peak 529 weight 1.00000E+00 volume 6.10545E+07 ppm1 7.262 ppm2 4.480
ASSI { 531}
( resid 51 and name HD# )
(( resid 85 and name HB ))
5.000 3.200 0.000 peak 531 weight 1.00000E+00 volume 1.09000E+08 ppm1 7.262 ppm2 1.621
ASSI { 535}
( resid 41 and name HD# )
(( resid 41 and name HB2 ))
4.000 2.200 0.000 peak 535 weight 1.00000E+00 volume 5.70445E+08 ppm1 7.070 ppm2 3.093
ASSI { 536}
( resid 41 and name HD# )
(( resid 41 and name HB1 ))
4.000 2.200 0.000 peak 536 weight 1.00000E+00 volume 6.52323E+08 ppm1 7.070 ppm2 2.834
ASSI { 538}
(( resid 51 and name HN ))
(( resid 50 and name HA ))
4.000 2.200 0.000 peak 538 weight 1.00000E+00 volume 2.22243E+08 ppm1 6.894 ppm2 3.956
ASSI { 540}
( resid 37 and name HD# )
(( resid 37 and name HB1 ))
4.000 2.200 0.000 peak 540 weight 1.00000E+00 volume 3.89295E+08 ppm1 6.889 ppm2 2.829
ASSI { 541}
( resid 37 and name HD# )
(( resid 37 and name HB2 ))
4.000 2.200 0.000 peak 541 weight 1.00000E+00 volume 3.67082E+08 ppm1 6.888 ppm2 2.758
ASSI { 542}
(( resid 51 and name HN ))
(( resid 51 and name HB2 ))
4.000 2.200 0.000 peak 542 weight 1.00000E+00 volume 1.60993E+08 ppm1 6.894 ppm2 2.400
ASSI { 546}
( resid 37 and name HD# )
( resid 61 and name HG# )
6.000 4.200 0.000 peak 546 weight 1.00000E+00 volume 1.67822E+08 ppm1 6.890 ppm2 0.801
ASSI { 550}
( resid 24 and name HD# )
( resid 21 and name HD1#)
5.000 3.200 0.000 peak 550 weight 1.00000E+00 volume 3.47637E+08 ppm1 6.963 ppm2 0.829
ASSI { 551}
( resid 24 and name HD# )
( resid 25 and name HD2#)
5.000 3.200 0.000 peak 551 weight 1.00000E+00 volume 6.67194E+08 ppm1 6.963 ppm2 0.759
ASSI { 552}
( resid 24 and name HD# )
( resid 21 and name HD1#)
5.000 3.200 0.000 peak 552 weight 1.00000E+00 volume 5.53193E+08 ppm1 6.962 ppm2 0.721
ASSI { 553}
( resid 22 and name HD# )
(( resid 79 and name HA ))
4.000 2.200 0.000 peak 553 weight 1.00000E+00 volume 3.13365E+08 ppm1 6.956 ppm2 3.944
ASSI { 554}
( resid 22 and name HD# )
(( resid 23 and name HA ))
4.000 2.200 0.000 peak 554 weight 1.00000E+00 volume 4.47157E+08 ppm1 6.955 ppm2 4.077
ASSI { 555}
(( resid 16 and name HN ))
(( resid 16 and name HA ))
2.800 1.000 0.000 peak 555 weight 1.00000E+00 volume 6.06644E+08 ppm1 7.983 ppm2 4.078
ASSI { 556}
( resid 22 and name HE# )
(( resid 23 and name HA ))
5.000 3.200 0.000 peak 556 weight 1.00000E+00 volume 1.45243E+08 ppm1 6.779 ppm2 4.079
ASSI { 557}
( resid 22 and name HD# )
( resid 22 and name HE# )
2.800 1.000 0.000 peak 557 weight 1.00000E+00 volume 4.77844E+09 ppm1 6.953 ppm2 6.782
ASSI { 558}
( resid 22 and name HE# )
(( resid 79 and name HA ))
5.000 3.200 0.000 peak 558 weight 1.00000E+00 volume 2.28547E+08 ppm1 6.779 ppm2 3.943
ASSI { 559}
( resid 22 and name HD# )
(( resid 82 and name HB1 ))
5.000 3.200 0.000 peak 559 weight 1.00000E+00 volume 2.20486E+08 ppm1 6.956 ppm2 2.309
ASSI { 560}
(( resid 83 and name HN ))
(( resid 82 and name HB1 ))
4.000 2.200 0.000 peak 560 weight 1.00000E+00 volume 1.15037E+08 ppm1 8.661 ppm2 2.309
ASSI { 561}
( resid 22 and name HE# )
(( resid 82 and name HB1 ))
5.000 3.200 0.000 peak 561 weight 1.00000E+00 volume 1.03208E+08 ppm1 6.779 ppm2 2.308
ASSI { 562}
( resid 22 and name HD# )
( resid 27 and name HD# )
4.000 2.200 0.000 peak 562 weight 1.00000E+00 volume 4.32967E+08 ppm1 6.954 ppm2 1.561
ASSI { 564}
(( resid 26 and name HN ))
( resid 27 and name HD# )
4.000 2.200 0.000 peak 564 weight 1.00000E+00 volume 2.27704E+08 ppm1 8.662 ppm2 1.562
ASSI { 565}
( resid 22 and name HE# )
( resid 27 and name HD# )
4.000 2.200 0.000 peak 565 weight 1.00000E+00 volume 4.14341E+08 ppm1 6.781 ppm2 1.563
ASSI { 567}
( resid 22 and name HD# )
( resid 82 and name HD1#)
5.000 3.200 0.000 peak 567 weight 1.00000E+00 volume 7.08915E+08 ppm1 6.954 ppm2 0.895
ASSI { 568}
(( resid 83 and name HN ))
( resid 82 and name HD1#)
5.000 3.200 0.000 peak 568 weight 1.00000E+00 volume 1.55966E+08 ppm1 8.657 ppm2 0.894
ASSI { 569}
(( resid 97 and name HN ))
( resid 97 and name HB# )
4.000 2.200 0.000 peak 569 weight 1.00000E+00 volume 1.08209E+09 ppm1 8.494 ppm2 1.330
ASSI { 571}
(( resid 22 and name HN ))
( resid 82 and name HD1#)
5.000 3.200 0.000 peak 571 weight 1.00000E+00 volume 2.94372E+08 ppm1 8.495 ppm2 0.894
ASSI { 572}
( resid 22 and name HE# )
( resid 82 and name HD1#)
6.000 4.200 0.000 peak 572 weight 1.00000E+00 volume 1.77266E+08 ppm1 6.781 ppm2 0.894
ASSI { 574}
( resid 22 and name HD# )
(( resid 26 and name HB2 ))
5.000 3.200 0.000 peak 574 weight 1.00000E+00 volume 2.05433E+08 ppm1 6.954 ppm2 2.405
ASSI { 575}
( resid 22 and name HE# )
(( resid 26 and name HB2 ))
5.000 3.200 0.000 peak 575 weight 1.00000E+00 volume 1.56490E+08 ppm1 6.776 ppm2 2.402
ASSI { 576}
( resid 22 and name HD# )
(( resid 26 and name HB1 ))
5.000 3.200 0.000 peak 576 weight 1.00000E+00 volume 1.53255E+08 ppm1 6.956 ppm2 2.548
ASSI { 577}
( resid 22 and name HE# )
(( resid 26 and name HB1 ))
5.000 3.200 0.000 peak 577 weight 1.00000E+00 volume 1.31275E+08 ppm1 6.778 ppm2 2.548
ASSI { 579}
( resid 22 and name HD# )
( resid 82 and name HD1#)
5.000 3.200 0.000 peak 579 weight 1.00000E+00 volume 3.45241E+08 ppm1 6.955 ppm2 0.851
ASSI { 580}
( resid 22 and name HE# )
(( resid 22 and name HA ))
5.000 3.200 0.000 peak 580 weight 1.00000E+00 volume 1.45448E+08 ppm1 6.777 ppm2 3.637
ASSI { 581}
( resid 51 and name HD# )
( resid 51 and name HE# )
2.800 1.000 0.000 peak 581 weight 1.00000E+00 volume 3.41078E+09 ppm1 7.262 ppm2 6.770
ASSI { 582}
( resid 51 and name HE# )
(( resid 51 and name HB1 ))
5.000 3.200 0.000 peak 582 weight 1.00000E+00 volume 1.49089E+08 ppm1 6.770 ppm2 3.472
ASSI { 583}
( resid 51 and name HD# )
( resid 18 and name HD# )
5.000 3.200 0.000 peak 583 weight 1.00000E+00 volume 3.42077E+08 ppm1 7.263 ppm2 0.627
ASSI { 584}
( resid 51 and name HE# )
( resid 18 and name HD# )
5.000 3.200 0.000 peak 584 weight 1.00000E+00 volume 4.40318E+08 ppm1 6.768 ppm2 0.629
ASSI { 585}
( resid 51 and name HD# )
( resid 53 and name HD1#)
5.000 3.200 0.000 peak 585 weight 1.00000E+00 volume 3.15253E+08 ppm1 7.263 ppm2 0.770
ASSI { 587}
( resid 51 and name HD# )
( resid 91 and name HG1#)
6.000 4.200 0.000 peak 587 weight 1.00000E+00 volume 2.32728E+08 ppm1 7.263 ppm2 1.021
ASSI { 590}
( resid 51 and name HE# )
( resid 91 and name HG1#)
6.000 4.200 0.000 peak 590 weight 1.00000E+00 volume 1.17836E+08 ppm1 6.768 ppm2 1.020
ASSI { 591}
(( resid 85 and name HN ))
( resid 91 and name HG1#)
6.000 4.200 0.000 peak 591 weight 1.00000E+00 volume 1.24623E+08 ppm1 8.047 ppm2 1.021
ASSI { 599}
( resid 41 and name HE# )
(( resid 61 and name HA ))
5.000 3.200 0.000 peak 599 weight 1.00000E+00 volume 1.72213E+08 ppm1 7.145 ppm2 4.016
ASSI { 607}
(( resid 86 and name HE ))
(( resid 86 and name HD2 ))
4.000 2.200 0.000 peak 607 weight 1.00000E+00 volume 2.53577E+08 ppm1 7.007 ppm2 2.753
ASSI { 610}
( resid 41 and name HD# )
( resid 17 and name HD1#)
5.000 3.200 0.000 peak 610 weight 1.00000E+00 volume 6.82585E+08 ppm1 7.074 ppm2 0.872
ASSI { 613}
(( resid 25 and name HN ))
( resid 25 and name HD2#)
5.000 3.200 0.000 peak 613 weight 1.00000E+00 volume 3.73617E+08 ppm1 8.110 ppm2 0.760
ASSI { 614}
(( resid 99 and name HN ))
(( resid 99 and name HA ))
4.000 2.200 0.000 peak 614 weight 1.00000E+00 volume 1.19074E+08 ppm1 8.221 ppm2 4.525
ASSI { 615}
(( resid 31 and name HA ))
( resid 34 and name HB# )
5.000 3.200 0.000 peak 615 weight 1.00000E+00 volume 2.93584E+08 ppm1 4.527 ppm2 1.576
ASSI { 617}
(( resid 26 and name HB1 ))
( resid 27 and name HD# )
4.000 2.200 0.000 peak 617 weight 1.00000E+00 volume 4.45616E+08 ppm1 2.548 ppm2 1.563
ASSI { 618}
(( resid 26 and name HB2 ))
( resid 27 and name HD# )
4.000 2.200 0.000 peak 618 weight 1.00000E+00 volume 4.47442E+08 ppm1 2.405 ppm2 1.563
! ASSI { 619}
! (( resid 79 and name HB2 ))
! ( resid 27 and name HD# )
! 5.000 2.200 0.000 peak 619 weight 1.00000E+00 volume 5.15114E+08 ppm1 2.176 ppm2 1.563
ASSI { 620}
(( resid 79 and name HA ))
(( resid 79 and name HB2 ))
4.000 2.200 0.000 peak 620 weight 1.00000E+00 volume 2.39702E+08 ppm1 3.942 ppm2 2.183
! ASSI { 622}
! (( resid 79 and name HB1 ))
! ( resid 27 and name HD# )
!
! 4.000 2.200 0.000 peak 622 weight 1.00000E+00 volume 1.00622E+09 ppm1 1.991 ppm2 1.563
ASSI { 624}
(( resid 25 and name HG ))
( resid 25 and name HD1#)
4.000 2.200 0.000 peak 624 weight 1.00000E+00 volume 8.06005E+08 ppm1 1.739 ppm2 0.713
!ASSI { 625}
! ( resid 25 and name HD1#)
! ( resid 25 and name HD1#)
! 5.000 3.200 0.000 peak 625 weight 1.00000E+00 volume 6.32607E+08 ppm1 1.240 ppm2 0.712
ASSI { 626}
(( resid 14 and name HB1 ))
( resid 18 and name HD# )
5.000 3.200 0.000 peak 626 weight 1.00000E+00 volume 3.55487E+08 ppm1 3.179 ppm2 0.627
ASSI { 628}
(( resid 15 and name HB2 ))
( resid 18 and name HD1#)
4.000 2.200 0.000 peak 628 weight 1.00000E+00 volume 4.92609E+08 ppm1 3.965 ppm2 0.630
ASSI { 630}
(( resid 100 and name HD1 ))
( resid 99 and name HB# )
4.000 2.200 0.000 peak 630 weight 1.00000E+00 volume 4.27597E+08 ppm1 3.596 ppm2 1.339
ASSI { 631}
(( resid 62 and name HE2 ))
( resid 74 and name HD# )
4.000 2.200 0.000 peak 631 weight 1.00000E+00 volume 4.65276E+08 ppm1 2.934 ppm2 0.948
ASSI { 632}
(( resid 21 and name HN ))
( resid 21 and name HD1#)
5.000 3.200 0.000 peak 632 weight 1.00000E+00 volume 2.21934E+08 ppm1 8.512 ppm2 0.724
ASSI { 633}
(( resid 22 and name HA ))
( resid 82 and name HD1#)
4.000 2.200 0.000 peak 633 weight 1.00000E+00 volume 5.63587E+08 ppm1 3.627 ppm2 0.895
ASSI { 635}
(( resid 25 and name HN ))
( resid 25 and name HD1#)
5.000 3.200 0.000 peak 635 weight 1.00000E+00 volume 3.29385E+08 ppm1 8.110 ppm2 0.715
ASSI { 636}
(( resid 51 and name HB1 ))
( resid 85 and name HD1#)
5.000 3.200 0.000 peak 636 weight 1.00000E+00 volume 2.86571E+08 ppm1 3.467 ppm2 0.428
ASSI { 637}
(( resid 82 and name HA ))
( resid 85 and name HD1#)
4.000 2.200 0.000 peak 637 weight 1.00000E+00 volume 5.82618E+08 ppm1 3.986 ppm2 0.428
ASSI { 638}
(( resid 74 and name HB1 ))
( resid 74 and name HD# )
2.800 1.000 0.000 peak 638 weight 1.00000E+00 volume 2.06723E+09 ppm1 1.611 ppm2 0.946
ASSI { 639}
(( resid 74 and name HG ))
( resid 74 and name HD# )
2.800 1.000 0.000 peak 639 weight 1.00000E+00 volume 2.41285E+09 ppm1 1.541 ppm2 0.947
ASSI { 640}
(( resid 82 and name HB2 ))
( resid 82 and name HD1#)
4.000 2.200 0.000 peak 640 weight 1.00000E+00 volume 1.14316E+09 ppm1 1.913 ppm2 0.894
ASSI { 641}
(( resid 48 and name HB1 ))
( resid 48 and name HD1#)
4.000 2.200 0.000 peak 641 weight 1.00000E+00 volume 1.39690E+09 ppm1 1.805 ppm2 0.874
ASSI { 642}
(( resid 82 and name HB2 ))
( resid 82 and name HD1#)
4.000 2.200 0.000 peak 642 weight 1.00000E+00 volume 1.44988E+09 ppm1 1.911 ppm2 0.851
ASSI { 643}
(( resid 84 and name HB1 ))
( resid 84 and name HD2#)
4.000 2.200 0.000 peak 643 weight 1.00000E+00 volume 1.74573E+09 ppm1 1.852 ppm2 0.853
ASSI { 644}
(( resid 60 and name HB2 ))
( resid 60 and name HD1#)
4.000 2.200 0.000 peak 644 weight 1.00000E+00 volume 1.68231E+09 ppm1 1.858 ppm2 0.828
ASSI { 645}
(( resid 60 and name HB2 ))
( resid 60 and name HD1#)
4.000 2.200 0.000 peak 645 weight 1.00000E+00 volume 1.31934E+09 ppm1 1.857 ppm2 0.801
ASSI { 646}
(( resid 82 and name HB2 ))
( resid 53 and name HD1#)
4.000 2.200 0.000 peak 646 weight 1.00000E+00 volume 7.40078E+08 ppm1 1.915 ppm2 0.772
ASSI { 650}
(( resid 48 and name HB2 ))
(( resid 48 and name HG ))
2.800 1.000 0.000 peak 650 weight 1.00000E+00 volume 9.49064E+08 ppm1 2.036 ppm2 1.068
ASSI { 652}
(( resid 17 and name HB ))
( resid 17 and name HG2#)
4.000 2.200 0.000 peak 652 weight 1.00000E+00 volume 1.82526E+09 ppm1 2.029 ppm2 0.984
ASSI { 654}
(( resid 48 and name HB1 ))
( resid 48 and name HD2#)
4.000 2.200 0.000 peak 654 weight 1.00000E+00 volume 1.03661E+09 ppm1 1.806 ppm2 0.739
ASSI { 655}
( resid 25 and name HB# )
( resid 25 and name HD1#)
4.000 2.200 0.000 peak 655 weight 1.00000E+00 volume 1.35839E+09 ppm1 1.976 ppm2 0.714
ASSI { 657}
(( resid 82 and name HG ))
( resid 82 and name HD1#)
4.000 2.200 0.000 peak 657 weight 1.00000E+00 volume 1.23377E+09 ppm1 1.530 ppm2 0.894
ASSI { 658}
(( resid 84 and name HB1 ))
( resid 84 and name HD1#)
4.000 2.200 0.000 peak 658 weight 1.00000E+00 volume 1.29187E+09 ppm1 1.854 ppm2 0.980
ASSI { 660}
( resid 57 and name HG1#)
( resid 53 and name HD1#)
4.000 2.200 0.000 peak 660 weight 1.00000E+00 volume 1.41719E+09 ppm1 1.070 ppm2 0.773
ASSI { 661}
(( resid 48 and name HG ))
( resid 48 and name HD2#)
4.000 2.200 0.000 peak 661 weight 1.00000E+00 volume 1.56457E+09 ppm1 1.069 ppm2 0.738
ASSI { 663}
(( resid 48 and name HG ))
( resid 48 and name HD1#)
2.800 1.000 0.000 peak 663 weight 1.00000E+00 volume 1.99529E+09 ppm1 1.069 ppm2 0.875
ASSI { 666}
(( resid 51 and name HB1 ))
( resid 53 and name HD2#)
4.000 2.200 0.000 peak 666 weight 1.00000E+00 volume 5.70710E+08 ppm1 3.469 ppm2 0.881
ASSI { 668}
( resid 63 and name HD# )
( resid 63 and name HG# )
2.800 1.000 0.000 peak 668 weight 1.00000E+00 volume 6.60416E+08 ppm1 3.203 ppm2 1.654
ASSI { 669}
(( resid 75 and name HD2 ))
( resid 75 and name HG# )
2.800 1.000 0.000 peak 669 weight 1.00000E+00 volume 3.67681E+08 ppm1 3.278 ppm2 1.405
ASSI { 670}
(( resid 75 and name HD1 ))
( resid 75 and name HG# )
2.800 1.000 0.000 peak 670 weight 1.00000E+00 volume 3.87907E+08 ppm1 3.140 ppm2 1.404
ASSI { 673}
(( resid 54 and name HG2 ))
( resid 54 and name HB# )
4.000 2.200 0.000 peak 673 weight 1.00000E+00 volume 3.18664E+08 ppm1 2.115 ppm2 1.848
ASSI { 676}
(( resid 84 and name HB2 ))
(( resid 84 and name HG ))
2.800 1.000 0.000 peak 676 weight 1.00000E+00 volume 1.34855E+09 ppm1 2.036 ppm2 1.493
ASSI { 677}
(( resid 82 and name HB1 ))
(( resid 82 and name HG ))
2.800 1.000 0.000 peak 677 weight 1.00000E+00 volume 7.10736E+08 ppm1 2.304 ppm2 1.536
ASSI { 679}
(( resid 48 and name HA ))
( resid 48 and name HD2#)
4.000 2.200 0.000 peak 679 weight 1.00000E+00 volume 1.13807E+09 ppm1 4.187 ppm2 0.739
ASSI { 682}
(( resid 60 and name HA ))
( resid 74 and name HD# )
4.000 2.200 0.000 peak 682 weight 1.00000E+00 volume 5.57488E+08 ppm1 4.131 ppm2 0.948
ASSI { 684}
(( resid 73 and name HA ))
(( resid 73 and name HB1 ))
4.000 2.200 0.000 peak 684 weight 1.00000E+00 volume 6.45242E+08 ppm1 4.663 ppm2 2.839
ASSI { 687}
(( resid 40 and name HA ))
(( resid 40 and name HB1 ))
4.000 2.200 0.000 peak 687 weight 1.00000E+00 volume 5.70880E+08 ppm1 4.430 ppm2 2.873
ASSI { 688}
(( resid 8 and name HA ))
(( resid 9 and name HD1 ))
2.800 1.000 0.000 peak 688 weight 1.00000E+00 volume 1.18348E+09 ppm1 4.577 ppm2 3.782
ASSI { 689}
(( resid 8 and name HA ))
(( resid 9 and name HD2 ))
2.800 1.000 0.000 peak 689 weight 1.00000E+00 volume 7.95607E+08 ppm1 4.578 ppm2 3.681
ASSI { 690}
(( resid 16 and name HA ))
(( resid 19 and name HB1 ))
4.000 2.200 0.000 peak 690 weight 1.00000E+00 volume 4.80639E+08 ppm1 4.076 ppm2 2.843
ASSI { 691}
(( resid 40 and name HA ))
(( resid 40 and name HB2 ))
4.000 2.200 0.000 peak 691 weight 1.00000E+00 volume 4.60017E+08 ppm1 4.431 ppm2 2.764
ASSI { 692}
(( resid 64 and name HN ))
(( resid 63 and name HA ))
4.000 2.200 0.000 peak 692 weight 1.00000E+00 volume 4.69003E+08 ppm1 8.290 ppm2 4.258
ASSI { 693}
(( resid 93 and name HN ))
(( resid 92 and name HA ))
2.500 0.700 0.000 peak 693 weight 1.00000E+00 volume 1.02181E+09 ppm1 8.528 ppm2 4.400
ASSI { 694}
(( resid 106 and name HN ))
(( resid 105 and name HA ))
4.000 2.200 0.000 peak 694 weight 1.00000E+00 volume 5.24167E+08 ppm1 8.496 ppm2 4.385
ASSI { 697}
(( resid 11 and name HN ))
(( resid 11 and name HA ))
4.000 2.200 0.000 peak 697 weight 1.00000E+00 volume 3.25132E+08 ppm1 8.411 ppm2 4.311
ASSI { 698}
(( resid 53 and name HN ))
(( resid 49 and name HA ))
4.000 2.200 0.000 peak 698 weight 1.00000E+00 volume 2.92854E+08 ppm1 8.154 ppm2 4.313
ASSI { 699}
(( resid 54 and name HN ))
(( resid 54 and name HA ))
4.000 2.200 0.000 peak 699 weight 1.00000E+00 volume 3.92834E+08 ppm1 8.406 ppm2 3.764
ASSI { 701}
(( resid 75 and name HN ))
(( resid 75 and name HA ))
4.000 2.200 0.000 peak 701 weight 1.00000E+00 volume 3.67429E+08 ppm1 8.700 ppm2 3.670
ASSI { 702}
( resid 41 and name HD# )
( resid 60 and name HD1#)
5.000 3.200 0.000 peak 702 weight 1.00000E+00 volume 9.45303E+08 ppm1 7.071 ppm2 0.831
ASSI { 703}
( resid 41 and name HD# )
( resid 60 and name HD1#)
5.000 3.200 0.000 peak 703 weight 1.00000E+00 volume 6.08239E+08 ppm1 7.070 ppm2 0.804
ASSI { 705}
(( resid 58 and name HN ))
(( resid 55 and name HA ))
4.000 2.200 0.000 peak 705 weight 1.00000E+00 volume 4.33737E+08 ppm1 7.892 ppm2 3.992
ASSI { 708}
(( resid 28 and name HN ))
(( resid 28 and name HA ))
2.800 1.000 0.000 peak 708 weight 1.00000E+00 volume 5.85389E+08 ppm1 7.880 ppm2 3.844
ASSI { 710}
(( resid 77 and name HN ))
(( resid 77 and name HA ))
2.800 1.000 0.000 peak 710 weight 1.00000E+00 volume 7.70256E+08 ppm1 8.129 ppm2 4.092
ASSI { 711}
(( resid 53 and name HN ))
(( resid 52 and name HA2 ))
2.800 1.000 0.000 peak 711 weight 1.00000E+00 volume 6.85825E+08 ppm1 8.149 ppm2 3.965
ASSI { 712}
(( resid 102 and name HA ))
(( resid 102 and name HB2 ))
2.800 1.000 0.000 peak 712 weight 1.00000E+00 volume 1.07900E+09 ppm1 4.487 ppm2 3.979
ASSI { 713}
(( resid 91 and name HA ))
(( resid 92 and name HD2 ))
2.800 1.000 0.000 peak 713 weight 1.00000E+00 volume 1.60803E+09 ppm1 4.506 ppm2 3.895
ASSI { 714}
(( resid 23 and name HN ))
(( resid 22 and name HB1 ))
2.800 1.000 0.000 peak 714 weight 1.00000E+00 volume 3.17908E+08 ppm1 8.065 ppm2 3.322
ASSI { 715}
(( resid 75 and name HN ))
( resid 60 and name HD1#)
5.000 3.200 0.000 peak 715 weight 1.00000E+00 volume 2.14349E+08 ppm1 8.701 ppm2 0.827
ASSI { 716}
(( resid 79 and name HN ))
( resid 78 and name HG1#)
4.000 2.200 0.000 peak 716 weight 1.00000E+00 volume 2.62813E+08 ppm1 8.651 ppm2 0.774
ASSI { 717}
(( resid 75 and name HN ))
( resid 74 and name HD# )
5.000 3.200 0.000 peak 717 weight 1.00000E+00 volume 1.69061E+08 ppm1 8.700 ppm2 0.948
ASSI { 718}
(( resid 79 and name HN ))
( resid 78 and name HG2#)
4.000 2.200 0.000 peak 718 weight 1.00000E+00 volume 2.27190E+08 ppm1 8.651 ppm2 0.947
ASSI { 720}
(( resid 83 and name HN ))
( resid 82 and name HD1#)
5.000 3.200 0.000 peak 720 weight 1.00000E+00 volume 1.44808E+08 ppm1 8.660 ppm2 0.850
ASSI { 722}
(( resid 56 and name HN ))
(( resid 55 and name HG2 ))
4.000 2.200 0.000 peak 722 weight 1.00000E+00 volume 1.28960E+08 ppm1 8.400 ppm2 2.481
ASSI { 723}
(( resid 56 and name HN ))
(( resid 55 and name HG1 ))
4.000 2.200 0.000 peak 723 weight 1.00000E+00 volume 1.36097E+08 ppm1 8.401 ppm2 2.431
ASSI { 724}
(( resid 42 and name HN ))
(( resid 41 and name HB2 ))
4.000 2.200 0.000 peak 724 weight 1.00000E+00 volume 1.21839E+08 ppm1 8.311 ppm2 3.095
ASSI { 725}
(( resid 56 and name HN ))
(( resid 55 and name HA ))
4.000 2.200 0.000 peak 725 weight 1.00000E+00 volume 4.50182E+08 ppm1 8.400 ppm2 3.989
ASSI { 726}
(( resid 21 and name HN ))
(( resid 17 and name HA ))
4.000 2.200 0.000 peak 726 weight 1.00000E+00 volume 1.86081E+08 ppm1 8.512 ppm2 3.873
ASSI { 727}
(( resid 80 and name HN ))
(( resid 77 and name HA ))
4.000 2.200 0.000 peak 727 weight 1.00000E+00 volume 2.76611E+08 ppm1 8.321 ppm2 4.091
ASSI { 729}
(( resid 70 and name HN ))
(( resid 71 and name HD1 ))
4.000 2.200 0.000 peak 729 weight 1.00000E+00 volume 2.27223E+08 ppm1 8.214 ppm2 3.966
ASSI { 730}
(( resid 38 and name HN ))
(( resid 35 and name HA ))
4.000 2.200 0.000 peak 730 weight 1.00000E+00 volume 2.38597E+08 ppm1 8.233 ppm2 3.929
ASSI { 731}
(( resid 79 and name HN ))
(( resid 76 and name HA ))
4.000 2.200 0.000 peak 731 weight 1.00000E+00 volume 3.23825E+08 ppm1 8.652 ppm2 4.074
ASSI { 732}
(( resid 75 and name HN ))
(( resid 74 and name HA ))
4.000 2.200 0.000 peak 732 weight 1.00000E+00 volume 1.42147E+08 ppm1 8.701 ppm2 4.022
ASSI { 734}
(( resid 102 and name HN ))
(( resid 102 and name HA ))
4.000 2.200 0.000 peak 734 weight 1.00000E+00 volume 1.57602E+08 ppm1 7.657 ppm2 4.486
ASSI { 735}
(( resid 84 and name HN ))
(( resid 83 and name HA ))
4.000 2.200 0.000 peak 735 weight 1.00000E+00 volume 1.21447E+08 ppm1 7.489 ppm2 4.381
ASSI { 736}
(( resid 67 and name HN ))
(( resid 67 and name HA ))
4.000 2.200 0.000 peak 736 weight 1.00000E+00 volume 2.65505E+08 ppm1 8.145 ppm2 4.352
ASSI { 737}
(( resid 61 and name HN ))
(( resid 60 and name HA ))
4.000 2.200 0.000 peak 737 weight 1.00000E+00 volume 6.07101E+08 ppm1 7.999 ppm2 4.136
ASSI { 738}
(( resid 48 and name HN ))
(( resid 47 and name HB1 ))
4.000 2.200 0.000 peak 738 weight 1.00000E+00 volume 1.53888E+08 ppm1 7.912 ppm2 3.166
ASSI { 739}
(( resid 35 and name HN ))
(( resid 36 and name HG2 ))
4.000 2.200 0.000 peak 739 weight 1.00000E+00 volume 5.42632E+08 ppm1 7.910 ppm2 1.374
ASSI { 740}
(( resid 58 and name HN ))
(( resid 58 and name HG2 ))
5.000 3.200 0.000 peak 740 weight 1.00000E+00 volume 1.31895E+08 ppm1 7.894 ppm2 1.241
ASSI { 741}
(( resid 48 and name HN ))
( resid 48 and name HD1#)
5.000 3.200 0.000 peak 741 weight 1.00000E+00 volume 2.94284E+08 ppm1 7.908 ppm2 0.873
ASSI { 742}
(( resid 59 and name HN ))
( resid 74 and name HD# )
6.000 4.200 0.000 peak 742 weight 1.00000E+00 volume 1.23227E+08 ppm1 7.406 ppm2 0.945
ASSI { 747}
(( resid 40 and name HD2 ))
(( resid 40 and name HB1 ))
5.000 3.200 0.000 peak 747 weight 1.00000E+00 volume 1.12189E+08 ppm1 6.597 ppm2 2.870
ASSI { 748}
(( resid 40 and name HD2 ))
(( resid 40 and name HB2 ))
5.000 3.200 0.000 peak 748 weight 1.00000E+00 volume 1.31880E+08 ppm1 6.596 ppm2 2.763
ASSI { 749}
(( resid 51 and name HN ))
(( resid 51 and name HB1 ))
4.000 2.200 0.000 peak 749 weight 1.00000E+00 volume 1.79098E+08 ppm1 6.894 ppm2 3.465
ASSI { 750}
(( resid 20 and name HD2 ))
(( resid 20 and name HB1 ))
5.000 3.200 0.000 peak 750 weight 1.00000E+00 volume 1.37330E+08 ppm1 7.123 ppm2 3.255
ASSI { 751}
(( resid 20 and name HD2 ))
(( resid 20 and name HB2 ))
5.000 3.200 0.000 peak 751 weight 1.00000E+00 volume 1.37832E+08 ppm1 7.123 ppm2 3.449
ASSI { 755}
(( resid 40 and name HD2 ))
(( resid 37 and name HA ))
5.000 3.200 0.000 peak 755 weight 1.00000E+00 volume 1.23611E+08 ppm1 6.596 ppm2 4.171
ASSI { 757}
(( resid 19 and name HA ))
(( resid 22 and name HB1 ))
4.000 2.200 0.000 peak 757 weight 1.00000E+00 volume 3.30972E+08 ppm1 4.466 ppm2 3.322
ASSI { 760}
(( resid 73 and name HA ))
(( resid 73 and name HB2 ))
2.800 1.000 0.000 peak 760 weight 1.00000E+00 volume 7.32344E+08 ppm1 4.663 ppm2 2.655
ASSI { 761}
(( resid 83 and name HA ))
(( resid 86 and name HD2 ))
4.000 2.200 0.000 peak 761 weight 1.00000E+00 volume 3.32590E+08 ppm1 4.380 ppm2 2.752
ASSI { 764}
(( resid 73 and name HA ))
( resid 76 and name HB# )
5.000 3.200 0.000 peak 764 weight 1.00000E+00 volume 3.17265E+08 ppm1 4.663 ppm2 1.464
ASSI { 767}
(( resid 69 and name HA ))
( resid 70 and name HG2#)
5.000 3.200 0.000 peak 767 weight 1.00000E+00 volume 2.98802E+08 ppm1 4.596 ppm2 0.949
ASSI { 768}
(( resid 81 and name HA ))
( resid 84 and name HD2#)
5.000 3.200 0.000 peak 768 weight 1.00000E+00 volume 3.43531E+08 ppm1 4.240 ppm2 0.850
ASSI { 771}
(( resid 48 and name HA ))
(( resid 48 and name HG ))
4.000 2.200 0.000 peak 771 weight 1.00000E+00 volume 3.82288E+08 ppm1 4.188 ppm2 1.069
ASSI { 772}
(( resid 82 and name HA ))
( resid 85 and name HG2#)
5.000 3.200 0.000 peak 772 weight 1.00000E+00 volume 2.88078E+08 ppm1 3.984 ppm2 0.485
ASSI { 773}
(( resid 54 and name HA ))
(( resid 48 and name HG ))
4.000 2.200 0.000 peak 773 weight 1.00000E+00 volume 4.37497E+08 ppm1 3.763 ppm2 1.071
ASSI { 774}
(( resid 58 and name HA ))
(( resid 58 and name HG2 ))
4.000 2.200 0.000 peak 774 weight 1.00000E+00 volume 3.45715E+08 ppm1 3.639 ppm2 1.240
ASSI { 776}
(( resid 16 and name HA ))
(( resid 19 and name HB2 ))
4.000 2.200 0.000 peak 776 weight 1.00000E+00 volume 3.93750E+08 ppm1 4.076 ppm2 2.678
ASSI { 777}
(( resid 36 and name HA ))
( resid 39 and name HB# )
4.000 2.200 0.000 peak 777 weight 1.00000E+00 volume 2.73038E+08 ppm1 4.133 ppm2 2.969
ASSI { 778}
(( resid 86 and name HD1 ))
(( resid 86 and name HD2 ))
2.500 0.700 0.000 peak 778 weight 1.00000E+00 volume 1.81306E+09 ppm1 2.978 ppm2 2.753
ASSI { 780}
(( resid 83 and name HB2 ))
(( resid 83 and name HB1 ))
2.500 0.700 0.000 peak 780 weight 1.00000E+00 volume 2.25644E+09 ppm1 2.908 ppm2 2.665
ASSI { 781}
(( resid 47 and name HB1 ))
( resid 17 and name HG2#)
5.000 3.200 0.000 peak 781 weight 1.00000E+00 volume 3.77875E+08 ppm1 3.168 ppm2 0.984
ASSI { 782}
(( resid 63 and name HD1 ))
( resid 74 and name HD# )
5.000 3.200 0.000 peak 782 weight 1.00000E+00 volume 3.35006E+08 ppm1 3.205 ppm2 0.948
ASSI { 783}
(( resid 81 and name HD2 ))
( resid 53 and name HD2#)
5.000 3.200 0.000 peak 783 weight 1.00000E+00 volume 3.05193E+08 ppm1 3.228 ppm2 0.880
ASSI { 785}
(( resid 47 and name HB2 ))
( resid 17 and name HG2#)
5.000 3.200 0.000 peak 785 weight 1.00000E+00 volume 3.30024E+08 ppm1 2.757 ppm2 0.984
ASSI { 786}
(( resid 37 and name HB1 ))
( resid 60 and name HD1#)
5.000 3.200 0.000 peak 786 weight 1.00000E+00 volume 3.18971E+08 ppm1 2.830 ppm2 0.829
ASSI { 787}
(( resid 37 and name HB1 ))
( resid 60 and name HD1#)
5.000 3.200 0.000 peak 787 weight 1.00000E+00 volume 2.63854E+08 ppm1 2.829 ppm2 0.801
ASSI { 788}
( resid 79 and name HG# )
( resid 25 and name HD1#)
5.000 3.200 0.000 peak 788 weight 1.00000E+00 volume 2.76305E+08 ppm1 2.552 ppm2 0.713
ASSI { 789}
(( resid 24 and name HB2 ))
( resid 21 and name HD1#)
5.000 3.200 0.000 peak 789 weight 1.00000E+00 volume 1.85995E+08 ppm1 3.032 ppm2 0.721
ASSI { 790}
( resid 25 and name HB# )
( resid 25 and name HD2#)
4.000 2.200 0.000 peak 790 weight 1.00000E+00 volume 1.57483E+09 ppm1 1.977 ppm2 0.760
ASSI { 794}
( resid 84 and name HD1#)
( resid 84 and name HD2#)
4.000 2.200 0.000 peak 794 weight 1.00000E+00 volume 4.18356E+09 ppm1 0.972 ppm2 0.854
ASSI { 795}
( resid 25 and name HD1#)
( resid 25 and name HD2#)
5.000 3.200 0.000 peak 795 weight 1.00000E+00 volume 5.95532E+08 ppm1 1.240 ppm2 0.760
ASSI { 797}
(( resid 99 and name HN ))
( resid 99 and name HB# )
4.000 2.200 0.000 peak 797 weight 1.00000E+00 volume 3.86271E+08 ppm1 8.224 ppm2 1.339
ASSI { 798}
(( resid 104 and name HA ))
(( resid 105 and name HD2 ))
4.000 2.200 0.000 peak 798 weight 1.00000E+00 volume 3.45918E+08 ppm1 4.601 ppm2 3.634
ASSI { 799}
(( resid 93 and name HA ))
(( resid 93 and name HG1 ))
4.000 2.200 0.000 peak 799 weight 1.00000E+00 volume 1.84048E+08 ppm1 4.162 ppm2 2.253
ASSI { 800}
(( resid 43 and name HA ))
( resid 43 and name HG# )
4.000 2.200 0.000 peak 800 weight 1.00000E+00 volume 2.63883E+08 ppm1 4.220 ppm2 2.257
ASSI { 801}
(( resid 94 and name HA ))
(( resid 94 and name HB2 ))
4.000 2.200 0.000 peak 801 weight 1.00000E+00 volume 5.29744E+08 ppm1 4.609 ppm2 3.065
ASSI { 802}
(( resid 94 and name HA ))
(( resid 94 and name HB1 ))
2.800 1.000 0.000 peak 802 weight 1.00000E+00 volume 9.42420E+08 ppm1 4.609 ppm2 3.127
ASSI { 804}
(( resid 14 and name HA ))
( resid 17 and name HG2#)
5.000 3.200 0.000 peak 804 weight 1.00000E+00 volume 2.24045E+08 ppm1 4.898 ppm2 0.985
ASSI { 805}
(( resid 14 and name HA ))
( resid 17 and name HD1#)
5.000 3.200 0.000 peak 805 weight 1.00000E+00 volume 2.39154E+08 ppm1 4.897 ppm2 0.868
ASSI { 806}
(( resid 47 and name HB1 ))
( resid 17 and name HD1#)
5.000 3.200 0.000 peak 806 weight 1.00000E+00 volume 2.30368E+08 ppm1 3.166 ppm2 0.870
ASSI { 807}
(( resid 47 and name HB2 ))
( resid 17 and name HD1#)
5.000 3.200 0.000 peak 807 weight 1.00000E+00 volume 2.52072E+08 ppm1 2.757 ppm2 0.868
ASSI { 809}
(( resid 92 and name HD1 ))
(( resid 92 and name HG2 ))
4.000 2.200 0.000 peak 809 weight 1.00000E+00 volume 2.02381E+08 ppm1 3.468 ppm2 1.702
ASSI { 821}
( resid 57 and name HG1#)
(( resid 54 and name HA ))
4.000 2.200 0.000 peak 821 weight 1.00000E+00 volume 5.28968E+08 ppm1 1.067 ppm2 3.765
ASSI { 824}
(( resid 79 and name HB1 ))
(( resid 79 and name HG2 ))
2.800 1.000 0.000 peak 824 weight 1.00000E+00 volume 1.51720E+09 ppm1 1.997 ppm2 2.553
ASSI { 832}
(( resid 23 and name HA ))
(( resid 26 and name HB1 ))
4.000 2.200 0.000 peak 832 weight 1.00000E+00 volume 5.34217E+08 ppm1 4.074 ppm2 2.551
ASSI { 838}
(( resid 75 and name HN ))
(( resid 74 and name HB1 ))
5.000 3.200 0.000 peak 838 weight 1.00000E+00 volume 8.38710E+07 ppm1 8.701 ppm2 1.610
ASSI { 848}
(( resid 75 and name HN ))
( resid 76 and name HB# )
6.000 4.200 0.000 peak 848 weight 1.00000E+00 volume 8.97840E+07 ppm1 8.699 ppm2 1.464
ASSI { 851}
( resid 24 and name HE# )
(( resid 24 and name HA ))
6.000 4.200 0.000 peak 851 weight 1.00000E+00 volume 9.28821E+07 ppm1 7.141 ppm2 4.227
ASSI { 854}
(( resid 92 and name HA ))
(( resid 92 and name HD1 ))
4.000 2.200 0.000 peak 854 weight 1.00000E+00 volume 2.47736E+08 ppm1 4.398 ppm2 3.468
ASSI { 858}
(( resid 13 and name HN ))
( resid 12 and name HG2#)
5.000 3.200 0.000 peak 858 weight 1.00000E+00 volume 8.40069E+07 ppm1 8.601 ppm2 1.203
ASSI { 862}
(( resid 56 and name HN ))
( resid 57 and name HG1#)
5.000 3.200 0.000 peak 862 weight 1.00000E+00 volume 1.06794E+08 ppm1 8.408 ppm2 1.072
ASSI { 864}
(( resid 54 and name HN ))
( resid 57 and name HG1#)
5.000 3.200 0.000 peak 864 weight 1.00000E+00 volume 1.04618E+08 ppm1 8.492 ppm2 1.075
ASSI { 867}
(( resid 79 and name HN ))
( resid 25 and name HD1#)
5.000 3.200 0.000 peak 867 weight 1.00000E+00 volume 1.55154E+08 ppm1 8.651 ppm2 0.712
ASSI { 870}
(( resid 92 and name HA ))
(( resid 92 and name HD2 ))
4.000 2.200 0.000 peak 870 weight 1.00000E+00 volume 5.13052E+08 ppm1 4.396 ppm2 3.899
ASSI { 873}
(( resid 92 and name HD2 ))
( resid 91 and name HG1#)
5.000 3.200 0.000 peak 873 weight 1.00000E+00 volume 4.48988E+08 ppm1 3.897 ppm2 1.020
ASSI { 877}
(( resid 57 and name HB ))
(( resid 57 and name HA ))
4.000 2.200 0.000 peak 877 weight 1.00000E+00 volume 5.14571E+08 ppm1 2.115 ppm2 3.502
ASSI { 879}
(( resid 105 and name HD1 ))
(( resid 105 and name HD2 ))
2.500 0.700 0.000 peak 879 weight 1.00000E+00 volume 4.34202E+09 ppm1 3.786 ppm2 3.632
ASSI { 880}
(( resid 104 and name HA ))
(( resid 105 and name HD1 ))
4.000 2.200 0.000 peak 880 weight 1.00000E+00 volume 6.49466E+08 ppm1 4.601 ppm2 3.791
ASSI { 882}
(( resid 83 and name HN ))
( resid 22 and name HD# )
5.000 3.200 0.000 peak 882 weight 1.00000E+00 volume 1.65868E+08 ppm1 8.662 ppm2 6.958
ASSI { 883}
(( resid 83 and name HN ))
( resid 22 and name HE# )
5.000 3.200 0.000 peak 883 weight 1.00000E+00 volume 2.18315E+08 ppm1 8.660 ppm2 6.783
ASSI { 886}
(( resid 25 and name HN ))
( resid 24 and name HD# )
4.000 2.200 0.000 peak 886 weight 1.00000E+00 volume 3.15853E+08 ppm1 8.108 ppm2 6.963
ASSI { 887}
(( resid 23 and name HN ))
( resid 22 and name HD# )
4.000 2.200 0.000 peak 887 weight 1.00000E+00 volume 3.69493E+08 ppm1 8.064 ppm2 6.959
ASSI { 888}
(( resid 24 and name HN ))
( resid 24 and name HD# )
4.000 2.200 0.000 peak 888 weight 1.00000E+00 volume 4.02014E+08 ppm1 8.035 ppm2 6.964
ASSI { 890}
(( resid 100 and name HD2 ))
( resid 99 and name HB# )
5.000 3.200 0.000 peak 890 weight 1.00000E+00 volume 3.11903E+08 ppm1 3.710 ppm2 1.340
ASSI { 891}
(( resid 100 and name HB1 ))
(( resid 100 and name HD1 ))
4.000 2.200 0.000 peak 891 weight 1.00000E+00 volume 2.18034E+08 ppm1 2.269 ppm2 3.602
ASSI { 892}
( resid 100 and name HG# )
(( resid 100 and name HD1 ))
4.000 2.200 0.000 peak 892 weight 1.00000E+00 volume 5.76308E+08 ppm1 1.925 ppm2 3.601
ASSI { 893}
(( resid 100 and name HB2 ))
(( resid 100 and name HD1 ))
4.000 2.200 0.000 peak 893 weight 1.00000E+00 volume 7.86876E+08 ppm1 2.001 ppm2 3.599
ASSI { 897}
(( resid 105 and name HA ))
(( resid 105 and name HD2 ))
4.000 2.200 0.000 peak 897 weight 1.00000E+00 volume 3.30833E+08 ppm1 4.393 ppm2 3.633
ASSI { 901}
(( resid 103 and name HA ))
(( resid 105 and name HD2 ))
4.000 2.200 0.000 peak 901 weight 1.00000E+00 volume 2.10098E+08 ppm1 4.468 ppm2 3.637
ASSI { 903}
(( resid 46 and name HB1 ))
(( resid 46 and name HA ))
2.800 1.000 0.000 peak 903 weight 1.00000E+00 volume 1.16822E+09 ppm1 2.368 ppm2 4.410
ASSI { 904}
(( resid 46 and name HB2 ))
(( resid 46 and name HA ))
4.000 2.200 0.000 peak 904 weight 1.00000E+00 volume 5.37776E+08 ppm1 2.109 ppm2 4.409
ASSI { 906}
( resid 46 and name HG# )
(( resid 46 and name HA ))
2.800 1.000 0.000 peak 906 weight 1.00000E+00 volume 8.34551E+08 ppm1 1.900 ppm2 4.401
ASSI { 907}
( resid 46 and name HG# )
(( resid 46 and name HB1 ))
2.800 1.000 0.000 peak 907 weight 1.00000E+00 volume 1.44843E+09 ppm1 1.909 ppm2 2.372
ASSI { 908}
(( resid 46 and name HB2 ))
(( resid 46 and name HB1 ))
2.800 1.000 0.000 peak 908 weight 1.00000E+00 volume 1.02112E+09 ppm1 2.112 ppm2 2.368
ASSI { 915}
(( resid 92 and name HD1 ))
( resid 91 and name HG2#)
4.000 2.200 0.000 peak 915 weight 1.00000E+00 volume 5.84726E+08 ppm1 3.468 ppm2 0.976
ASSI { 916}
(( resid 17 and name HA ))
( resid 17 and name HG2#)
4.000 2.200 0.000 peak 916 weight 1.00000E+00 volume 9.37710E+08 ppm1 3.866 ppm2 0.984
ASSI { 917}
(( resid 62 and name HN ))
(( resid 58 and name HA ))
5.000 3.200 0.000 peak 917 weight 1.00000E+00 volume 9.64039E+07 ppm1 7.700 ppm2 3.644
ASSI { 918}
(( resid 29 and name HN ))
(( resid 29 and name HA ))
4.000 2.200 0.000 peak 918 weight 1.00000E+00 volume 3.03953E+08 ppm1 8.090 ppm2 4.226
ASSI { 920}
(( resid 52 and name HN ))
(( resid 52 and name HA1 ))
2.800 1.000 0.000 peak 920 weight 1.00000E+00 volume 5.48843E+08 ppm1 7.949 ppm2 4.248
ASSI { 926}
(( resid 41 and name HB1 ))
(( resid 38 and name HA ))
4.000 2.200 0.000 peak 926 weight 1.00000E+00 volume 2.83376E+08 ppm1 2.833 ppm2 3.870
ASSI { 933}
(( resid 61 and name HN ))
( resid 41 and name HD# )
5.000 3.200 0.000 peak 933 weight 1.00000E+00 volume 2.07211E+08 ppm1 8.006 ppm2 7.071
ASSI { 934}
(( resid 20 and name HE1 ))
( resid 41 and name HD# )
5.000 3.200 0.000 peak 934 weight 1.00000E+00 volume 1.18765E+08 ppm1 8.228 ppm2 7.071
ASSI { 935}
(( resid 38 and name HN ))
( resid 37 and name HD# )
5.000 3.200 0.000 peak 935 weight 1.00000E+00 volume 1.23901E+08 ppm1 8.232 ppm2 6.892
ASSI { 943}
(( resid 50 and name HN ))
(( resid 51 and name HN ))
4.000 2.200 0.000 peak 943 weight 1.00000E+00 volume 2.21776E+08 ppm1 7.720 ppm2 6.897
ASSI { 944}
( resid 51 and name HD# )
(( resid 51 and name HN ))
4.000 2.200 0.000 peak 944 weight 1.00000E+00 volume 2.87257E+08 ppm1 7.262 ppm2 6.896
ASSI { 945}
(( resid 52 and name HN ))
(( resid 51 and name HN ))
2.800 1.000 0.000 peak 945 weight 1.00000E+00 volume 3.77414E+08 ppm1 7.949 ppm2 6.896
ASSI { 946}
(( resid 33 and name HN ))
( resid 37 and name HD# )
5.000 3.200 0.000 peak 946 weight 1.00000E+00 volume 2.72572E+08 ppm1 7.995 ppm2 6.892
ASSI { 950}
(( resid 107 and name HN ))
(( resid 107 and name HA ))
4.000 2.200 0.000 peak 950 weight 1.00000E+00 volume 1.47095E+08 ppm1 8.481 ppm2 4.320
ASSI { 952}
(( resid 97 and name HA ))
( resid 97 and name HB# )
2.800 1.000 0.000 peak 952 weight 1.00000E+00 volume 1.20203E+09 ppm1 4.264 ppm2 1.341
ASSI { 954}
(( resid 48 and name HA ))
( resid 18 and name HD# )
5.000 3.200 0.000 peak 954 weight 1.00000E+00 volume 1.62126E+08 ppm1 4.187 ppm2 0.612
ASSI { 955}
(( resid 48 and name HN ))
(( resid 47 and name HB2 ))
4.000 2.200 0.000 peak 955 weight 1.00000E+00 volume 1.75133E+08 ppm1 7.909 ppm2 2.750
ASSI { 956}
(( resid 48 and name HN ))
(( resid 48 and name HA ))
4.000 2.200 0.000 peak 956 weight 1.00000E+00 volume 3.85498E+08 ppm1 7.909 ppm2 4.185
ASSI { 957}
(( resid 48 and name HN ))
( resid 48 and name HD2#)
5.000 3.200 0.000 peak 957 weight 1.00000E+00 volume 2.11592E+08 ppm1 7.909 ppm2 0.739
ASSI { 958}
(( resid 48 and name HN ))
(( resid 48 and name HB1 ))
4.000 2.200 0.000 peak 958 weight 1.00000E+00 volume 1.75453E+08 ppm1 7.908 ppm2 1.804
ASSI { 959}
(( resid 85 and name HN ))
(( resid 85 and name HG12))
4.000 2.200 0.000 peak 959 weight 1.00000E+00 volume 3.09462E+08 ppm1 8.046 ppm2 0.734
ASSI { 960}
(( resid 85 and name HN ))
(( resid 85 and name HG12))
4.000 2.200 0.000 peak 960 weight 1.00000E+00 volume 3.01243E+08 ppm1 8.046 ppm2 0.752
ASSI { 963}
(( resid 48 and name HB1 ))
(( resid 48 and name HG ))
4.000 2.200 0.000 peak 963 weight 1.00000E+00 volume 3.59954E+08 ppm1 1.807 ppm2 1.071
ASSI { 966}
(( resid 54 and name HN ))
(( resid 53 and name HA ))
4.000 2.200 0.000 peak 966 weight 1.00000E+00 volume 1.13427E+08 ppm1 8.485 ppm2 4.529
ASSI { 967}
(( resid 31 and name HA ))
(( resid 31 and name HB1 ))
2.800 1.000 0.000 peak 967 weight 1.00000E+00 volume 7.11851E+08 ppm1 4.527 ppm2 2.746
ASSI { 968}
(( resid 31 and name HA ))
(( resid 31 and name HB2 ))
4.000 2.200 0.000 peak 968 weight 1.00000E+00 volume 4.97121E+08 ppm1 4.529 ppm2 2.707
ASSI { 974}
(( resid 81 and name HN ))
(( resid 80 and name HA1 ))
4.000 2.200 0.000 peak 974 weight 1.00000E+00 volume 2.95251E+08 ppm1 7.710 ppm2 3.908
ASSI { 977}
(( resid 53 and name HN ))
(( resid 53 and name HA ))
4.000 2.200 0.000 peak 977 weight 1.00000E+00 volume 2.69058E+08 ppm1 8.151 ppm2 4.508
ASSI { 978}
(( resid 102 and name HN ))
(( resid 93 and name HA ))
4.000 2.200 0.000 peak 978 weight 1.00000E+00 volume 1.77568E+08 ppm1 7.656 ppm2 4.164
ASSI { 979}
(( resid 102 and name HN ))
(( resid 102 and name HB1 ))
4.000 2.200 0.000 peak 979 weight 1.00000E+00 volume 2.40219E+08 ppm1 7.657 ppm2 4.108
ASSI { 980}
(( resid 32 and name HA ))
(( resid 32 and name HB1 ))
2.800 1.000 0.000 peak 980 weight 1.00000E+00 volume 1.29753E+09 ppm1 4.313 ppm2 3.980
ASSI { 981}
(( resid 102 and name HB1 ))
(( resid 102 and name HB2 ))
2.500 0.700 0.000 peak 981 weight 1.00000E+00 volume 3.22703E+09 ppm1 4.096 ppm2 3.984
ASSI { 983}
(( resid 52 and name HA1 ))
(( resid 52 and name HA2 ))
2.800 1.000 0.000 peak 983 weight 1.00000E+00 volume 1.75771E+09 ppm1 4.257 ppm2 3.949
ASSI { 984}
(( resid 75 and name HG2 ))
( resid 25 and name HD2#)
4.000 2.200 0.000 peak 984 weight 1.00000E+00 volume 4.76052E+08 ppm1 1.406 ppm2 0.760
ASSI { 985}
(( resid 77 and name HN ))
( resid 78 and name HG2#)
4.000 2.200 0.000 peak 985 weight 1.00000E+00 volume 3.85673E+08 ppm1 8.128 ppm2 0.946
ASSI { 986}
( resid 16 and name HG# )
(( resid 16 and name HA ))
2.800 1.000 0.000 peak 986 weight 1.00000E+00 volume 9.86801E+08 ppm1 2.261 ppm2 4.079
ASSI { 987}
(( resid 16 and name HB1 ))
(( resid 16 and name HA ))
2.800 1.000 0.000 peak 987 weight 1.00000E+00 volume 1.37386E+09 ppm1 2.085 ppm2 4.079
ASSI { 988}
(( resid 16 and name HB2 ))
(( resid 16 and name HA ))
2.800 1.000 0.000 peak 988 weight 1.00000E+00 volume 1.40713E+09 ppm1 2.011 ppm2 4.078
ASSI { 994}
(( resid 81 and name HN ))
( resid 78 and name HG2#)
5.000 3.200 0.000 peak 994 weight 1.00000E+00 volume 1.97153E+08 ppm1 7.713 ppm2 0.943
ASSI { 997}
( resid 22 and name HE# )
(( resid 22 and name HB2 ))
5.000 3.200 0.000 peak 997 weight 1.00000E+00 volume 1.49053E+08 ppm1 6.779 ppm2 3.004
ASSI { 998}
( resid 22 and name HE# )
(( resid 83 and name HB2 ))
5.000 3.200 0.000 peak 998 weight 1.00000E+00 volume 1.43553E+08 ppm1 6.780 ppm2 2.913
ASSI { 999}
(( resid 59 and name HN ))
(( resid 59 and name HE2 ))
5.000 3.200 0.000 peak 999 weight 1.00000E+00 volume 4.32242E+07 ppm1 7.405 ppm2 2.936
ASSI { 1003}
(( resid 71 and name HA ))
( resid 71 and name HB# )
2.800 1.000 0.000 peak 1003 weight 1.00000E+00 volume 8.89009E+08 ppm1 4.431 ppm2 2.386
ASSI { 1005}
(( resid 40 and name HE1 ))
(( resid 40 and name HB1 ))
5.000 3.200 0.000 peak 1005 weight 1.00000E+00 volume 1.07617E+08 ppm1 7.796 ppm2 2.870
ASSI { 1006}
(( resid 40 and name HE1 ))
(( resid 40 and name HB2 ))
5.000 3.200 0.000 peak 1006 weight 1.00000E+00 volume 1.16061E+08 ppm1 7.798 ppm2 2.760
ASSI { 1010}
(( resid 40 and name HE1 ))
(( resid 40 and name HD2 ))
5.000 3.200 0.000 peak 1010 weight 1.00000E+00 volume 8.65525E+07 ppm1 7.799 ppm2 6.600
ASSI { 1011}
(( resid 40 and name HE1 ))
(( resid 39 and name HD2 ))
5.000 3.200 0.000 peak 1011 weight 1.00000E+00 volume 6.70300E+07 ppm1 7.801 ppm2 6.735
ASSI { 1012}
(( resid 39 and name HE1 ))
(( resid 39 and name HD2 ))
5.000 3.200 0.000 peak 1012 weight 1.00000E+00 volume 9.31620E+07 ppm1 7.837 ppm2 6.736
ASSI { 1014}
(( resid 39 and name HD2 ))
( resid 39 and name HB# )
4.000 2.200 0.000 peak 1014 weight 1.00000E+00 volume 2.06142E+08 ppm1 6.732 ppm2 2.969
ASSI { 1015}
(( resid 10 and name HA ))
( resid 10 and name HB# )
4.000 2.200 0.000 peak 1015 weight 1.00000E+00 volume 5.56561E+08 ppm1 4.649 ppm2 3.135
ASSI { 1016}
(( resid 63 and name HA ))
( resid 63 and name HD# )
4.000 2.200 0.000 peak 1016 weight 1.00000E+00 volume 4.55397E+08 ppm1 4.254 ppm2 3.208
ASSI { 1018}
(( resid 39 and name HD2 ))
(( resid 39 and name HA ))
5.000 3.200 0.000 peak 1018 weight 1.00000E+00 volume 1.03871E+08 ppm1 6.733 ppm2 4.427
ASSI { 1021}
(( resid 39 and name HE1 ))
( resid 39 and name HB# )
5.000 3.200 0.000 peak 1021 weight 1.00000E+00 volume 7.98714E+07 ppm1 7.838 ppm2 2.967
ASSI { 1023}
(( resid 17 and name HN ))
(( resid 13 and name HB1 ))
5.000 3.200 0.000 peak 1023 weight 1.00000E+00 volume 1.16061E+08 ppm1 7.778 ppm2 2.760
ASSI { 1024}
(( resid 17 and name HN ))
(( resid 13 and name HB2 ))
5.000 3.200 0.000 peak 1024 weight 1.00000E+00 volume 1.07617E+08 ppm1 7.778 ppm2 2.869
ASSI { 1025}
(( resid 40 and name HD2 ))
(( resid 40 and name HA ))
5.000 3.200 0.000 peak 1025 weight 1.00000E+00 volume 8.26260E+07 ppm1 6.595 ppm2 4.431
ASSI { 1026}
(( resid 73 and name HN ))
(( resid 73 and name HB1 ))
5.000 3.200 0.000 peak 1026 weight 1.00000E+00 volume 1.34969E+08 ppm1 8.301 ppm2 2.837
ASSI { 1027}
(( resid 73 and name HB1 ))
(( resid 73 and name HB2 ))
2.500 0.700 0.000 peak 1027 weight 1.00000E+00 volume 3.17015E+09 ppm1 2.842 ppm2 2.657
ASSI { 1028}
(( resid 40 and name HB1 ))
(( resid 40 and name HB2 ))
2.500 0.700 0.000 peak 1028 weight 1.00000E+00 volume 5.26559E+09 ppm1 2.863 ppm2 2.761
ASSI { 1031}
(( resid 59 and name HA ))
(( resid 59 and name HE2 ))
4.000 2.200 0.000 peak 1031 weight 1.00000E+00 volume 5.12334E+08 ppm1 4.003 ppm2 2.932
ASSI { 1033}
(( resid 67 and name HA ))
( resid 67 and name HG# )
4.000 2.200 0.000 peak 1033 weight 1.00000E+00 volume 3.48325E+08 ppm1 4.351 ppm2 2.343
ASSI { 1037}
(( resid 43 and name HN ))
( resid 43 and name HG# )
2.800 1.000 0.000 peak 1037 weight 1.00000E+00 volume 2.28164E+08 ppm1 8.030 ppm2 2.257
ASSI { 1038}
(( resid 43 and name HN ))
(( resid 43 and name HA ))
2.800 1.000 0.000 peak 1038 weight 1.00000E+00 volume 5.83871E+08 ppm1 8.012 ppm2 4.221
ASSI { 1039}
(( resid 93 and name HA ))
(( resid 93 and name HG2 ))
4.000 2.200 0.000 peak 1039 weight 1.00000E+00 volume 1.58692E+08 ppm1 4.162 ppm2 2.206
ASSI { 1042}
(( resid 93 and name HB2 ))
(( resid 93 and name HA ))
2.800 1.000 0.000 peak 1042 weight 1.00000E+00 volume 9.75606E+08 ppm1 2.011 ppm2 4.166
ASSI { 1044}
(( resid 93 and name HB1 ))
(( resid 93 and name HA ))
2.800 1.000 0.000 peak 1044 weight 1.00000E+00 volume 7.04536E+08 ppm1 1.898 ppm2 4.164
! ASSI { 1047}
! (( resid 56 and name HN ))
! (( resid 54 and name HG2 ))
!
! 5.000 3.200 0.000 peak 1047 weight 1.00000E+00 volume 7.10060E+07 ppm1 8.405 ppm2 2.120
ASSI { 1048}
(( resid 11 and name HA ))
(( resid 11 and name HG2 ))
4.000 2.200 0.000 peak 1048 weight 1.00000E+00 volume 2.74332E+08 ppm1 4.311 ppm2 2.349
ASSI { 1049}
(( resid 11 and name HN ))
(( resid 11 and name HG2 ))
5.000 3.200 0.000 peak 1049 weight 1.00000E+00 volume 8.82300E+07 ppm1 8.404 ppm2 2.355
ASSI { 1050}
(( resid 11 and name HN ))
(( resid 11 and name HG2 ))
5.000 3.200 0.000 peak 1050 weight 1.00000E+00 volume 6.57385E+07 ppm1 8.403 ppm2 2.204
ASSI { 1052}
(( resid 89 and name HA ))
(( resid 89 and name HB2 ))
4.000 2.200 0.000 peak 1052 weight 1.00000E+00 volume 2.60809E+08 ppm1 4.405 ppm2 2.191
ASSI { 1053}
(( resid 63 and name HA ))
(( resid 63 and name HB1 ))
2.800 1.000 0.000 peak 1053 weight 1.00000E+00 volume 2.51848E+08 ppm1 4.251 ppm2 1.821
ASSI { 1057}
(( resid 82 and name HB1 ))
( resid 82 and name HD1#)
4.000 2.200 0.000 peak 1057 weight 1.00000E+00 volume 5.20619E+08 ppm1 2.305 ppm2 0.894
ASSI { 1058}
(( resid 82 and name HB1 ))
( resid 82 and name HD1#)
5.000 3.200 0.000 peak 1058 weight 1.00000E+00 volume 3.89526E+08 ppm1 2.304 ppm2 0.852
ASSI { 1060}
(( resid 82 and name HB2 ))
(( resid 82 and name HN ))
2.800 1.000 0.000 peak 1060 weight 1.00000E+00 volume 6.30986E+08 ppm1 1.913 ppm2 8.558
ASSI { 1063}
(( resid 89 and name HA ))
( resid 91 and name HG1#)
5.000 3.200 0.000 peak 1063 weight 1.00000E+00 volume 2.10740E+08 ppm1 4.400 ppm2 1.020
ASSI { 1064}
(( resid 84 and name HN ))
(( resid 81 and name HA ))
4.000 2.200 0.000 peak 1064 weight 1.00000E+00 volume 2.73656E+08 ppm1 7.492 ppm2 4.240
ASSI { 1066}
(( resid 81 and name HA ))
( resid 91 and name HG1#)
5.000 3.200 0.000 peak 1066 weight 1.00000E+00 volume 2.02870E+08 ppm1 4.240 ppm2 1.019
ASSI { 1067}
(( resid 85 and name HA ))
( resid 84 and name HD1#)
5.000 3.200 0.000 peak 1067 weight 1.00000E+00 volume 3.45188E+08 ppm1 3.629 ppm2 0.977
ASSI { 1068}
(( resid 85 and name HA ))
( resid 91 and name HG1#)
5.000 3.200 0.000 peak 1068 weight 1.00000E+00 volume 1.75050E+08 ppm1 3.631 ppm2 1.021
ASSI { 1071}
(( resid 81 and name HD1 ))
( resid 91 and name HG1#)
5.000 3.200 0.000 peak 1071 weight 1.00000E+00 volume 2.03586E+08 ppm1 3.382 ppm2 1.021
ASSI { 1072}
(( resid 81 and name HD1 ))
( resid 91 and name HG2#)
5.000 3.200 0.000 peak 1072 weight 1.00000E+00 volume 1.92513E+08 ppm1 3.382 ppm2 0.979
ASSI { 1074}
(( resid 22 and name HB1 ))
( resid 82 and name HD1#)
5.000 3.200 0.000 peak 1074 weight 1.00000E+00 volume 1.79712E+08 ppm1 3.320 ppm2 0.893
ASSI { 1075}
(( resid 81 and name HD1 ))
( resid 53 and name HD2#)
5.000 3.200 0.000 peak 1075 weight 1.00000E+00 volume 1.78219E+08 ppm1 3.381 ppm2 0.881
ASSI { 1076}
(( resid 81 and name HD2 ))
( resid 91 and name HG1#)
5.000 3.200 0.000 peak 1076 weight 1.00000E+00 volume 1.94132E+08 ppm1 3.225 ppm2 1.020
ASSI { 1077}
(( resid 22 and name HB2 ))
( resid 82 and name HD1#)
5.000 3.200 0.000 peak 1077 weight 1.00000E+00 volume 1.83304E+08 ppm1 3.008 ppm2 0.852
ASSI { 1078}
(( resid 22 and name HB2 ))
( resid 82 and name HD1#)
5.000 3.200 0.000 peak 1078 weight 1.00000E+00 volume 3.33344E+08 ppm1 3.011 ppm2 0.895
ASSI { 1081}
(( resid 37 and name HB2 ))
( resid 61 and name HG2#)
5.000 3.200 0.000 peak 1081 weight 1.00000E+00 volume 2.08289E+08 ppm1 2.757 ppm2 0.827
ASSI { 1085}
(( resid 17 and name HG12))
( resid 17 and name HG2#)
4.000 2.200 0.000 peak 1085 weight 1.00000E+00 volume 9.11614E+08 ppm1 1.627 ppm2 0.984
ASSI { 1086}
(( resid 26 and name HB1 ))
( resid 25 and name HD2#)
6.000 4.200 0.000 peak 1086 weight 1.00000E+00 volume 1.50416E+08 ppm1 2.552 ppm2 0.766
ASSI { 1096}
(( resid 75 and name HN ))
( resid 75 and name HG# )
4.000 2.200 0.000 peak 1096 weight 1.00000E+00 volume 1.06361E+08 ppm1 8.701 ppm2 1.405
ASSI { 1098}
(( resid 59 and name HE2 ))
(( resid 59 and name HG2 ))
4.000 2.200 0.000 peak 1098 weight 1.00000E+00 volume 6.05314E+08 ppm1 2.934 ppm2 1.418
ASSI { 1100}
(( resid 36 and name HA ))
(( resid 36 and name HG2 ))
4.000 2.200 0.000 peak 1100 weight 1.00000E+00 volume 2.81440E+08 ppm1 4.132 ppm2 1.283
ASSI { 1101}
( resid 36 and name HE# )
(( resid 36 and name HG2 ))
4.000 2.200 0.000 peak 1101 weight 1.00000E+00 volume 2.35844E+08 ppm1 2.904 ppm2 1.282
ASSI { 1102}
(( resid 36 and name HN ))
(( resid 36 and name HG2 ))
4.000 2.200 0.000 peak 1102 weight 1.00000E+00 volume 1.10830E+08 ppm1 7.808 ppm2 1.283
ASSI { 1103}
( resid 36 and name HE# )
(( resid 36 and name HG2 ))
4.000 2.200 0.000 peak 1103 weight 1.00000E+00 volume 3.51933E+08 ppm1 2.904 ppm2 1.380
ASSI { 1105}
(( resid 84 and name HN ))
(( resid 84 and name HB1 ))
5.000 3.200 0.000 peak 1105 weight 1.00000E+00 volume 6.49306E+07 ppm1 7.488 ppm2 1.855
ASSI { 1107}
(( resid 84 and name HB2 ))
(( resid 84 and name HN ))
2.800 1.000 0.000 peak 1107 weight 1.00000E+00 volume 9.03092E+07 ppm1 2.035 ppm2 7.490
ASSI { 1110}
(( resid 89 and name HG2 ))
( resid 84 and name HD2#)
5.000 3.200 0.000 peak 1110 weight 1.00000E+00 volume 3.03973E+08 ppm1 2.363 ppm2 0.853
ASSI { 1112}
(( resid 36 and name HA ))
( resid 35 and name HG2#)
5.000 3.200 0.000 peak 1112 weight 1.00000E+00 volume 3.08269E+08 ppm1 4.132 ppm2 0.905
ASSI { 1115}
(( resid 69 and name HB2 ))
( resid 70 and name HG# )
5.000 3.200 0.000 peak 1115 weight 1.00000E+00 volume 2.42963E+08 ppm1 2.609 ppm2 0.950
ASSI { 1118}
(( resid 35 and name HB ))
(( resid 35 and name HA ))
2.800 1.000 0.000 peak 1118 weight 1.00000E+00 volume 9.98750E+08 ppm1 2.102 ppm2 3.928
ASSI { 1120}
(( resid 38 and name HG2 ))
(( resid 38 and name HA ))
4.000 2.200 0.000 peak 1120 weight 1.00000E+00 volume 3.56369E+08 ppm1 2.234 ppm2 3.869
ASSI { 1121}
(( resid 38 and name HG2 ))
(( resid 38 and name HA ))
2.800 1.000 0.000 peak 1121 weight 1.00000E+00 volume 6.77537E+08 ppm1 2.107 ppm2 3.869
ASSI { 1122}
( resid 38 and name HB# )
(( resid 38 and name HA ))
2.800 1.000 0.000 peak 1122 weight 1.00000E+00 volume 1.57167E+09 ppm1 1.998 ppm2 3.871
ASSI { 1125}
(( resid 38 and name HG2 ))
( resid 38 and name HB# )
4.000 2.200 0.000 peak 1125 weight 1.00000E+00 volume 4.12190E+08 ppm1 2.107 ppm2 1.992
ASSI { 1126}
(( resid 41 and name HB2 ))
( resid 57 and name HG2#)
5.000 3.200 0.000 peak 1126 weight 1.00000E+00 volume 1.90637E+08 ppm1 3.085 ppm2 0.835
ASSI { 1128}
(( resid 41 and name HB2 ))
( resid 17 and name HD1#)
5.000 3.200 0.000 peak 1128 weight 1.00000E+00 volume 1.65783E+08 ppm1 3.084 ppm2 0.873
ASSI { 1130}
(( resid 57 and name HA ))
(( resid 60 and name HG ))
4.000 2.200 0.000 peak 1130 weight 1.00000E+00 volume 1.90352E+08 ppm1 3.504 ppm2 1.508
ASSI { 1131}
(( resid 49 and name HN ))
( resid 48 and name HD1#)
6.000 4.200 0.000 peak 1131 weight 1.00000E+00 volume 5.43554E+07 ppm1 8.826 ppm2 0.875
ASSI { 1133}
(( resid 63 and name HN ))
(( resid 62 and name HG2 ))
4.000 2.200 0.000 peak 1133 weight 1.00000E+00 volume 2.77877E+08 ppm1 8.033 ppm2 1.408
ASSI { 1134}
(( resid 59 and name HN ))
( resid 60 and name HD1#)
6.000 4.200 0.000 peak 1134 weight 1.00000E+00 volume 7.14872E+07 ppm1 7.403 ppm2 0.830
ASSI { 1135}
(( resid 59 and name HN ))
( resid 60 and name HD1#)
6.000 4.200 0.000 peak 1135 weight 1.00000E+00 volume 6.25787E+07 ppm1 7.408 ppm2 0.801
ASSI { 1138}
( resid 63 and name HD# )
( resid 60 and name HD1#)
5.000 3.200 0.000 peak 1138 weight 1.00000E+00 volume 1.97877E+08 ppm1 3.202 ppm2 0.829
ASSI { 1139}
(( resid 24 and name HB1 ))
( resid 21 and name HD1#)
5.000 3.200 0.000 peak 1139 weight 1.00000E+00 volume 1.81527E+08 ppm1 3.134 ppm2 0.723
ASSI { 1142}
( resid 79 and name HG# )
( resid 82 and name HD1#)
6.000 4.200 0.000 peak 1142 weight 1.00000E+00 volume 1.18654E+08 ppm1 2.552 ppm2 0.894
ASSI { 1143}
(( resid 83 and name HB1 ))
( resid 84 and name HD2#)
6.000 4.200 0.000 peak 1143 weight 1.00000E+00 volume 1.35961E+08 ppm1 2.679 ppm2 0.856
ASSI { 1144}
(( resid 69 and name HB1 ))
( resid 70 and name HG2#)
5.000 3.200 0.000 peak 1144 weight 1.00000E+00 volume 1.62750E+08 ppm1 2.677 ppm2 0.950
ASSI { 1148}
(( resid 24 and name HB1 ))
( resid 25 and name HD2#)
5.000 3.200 0.000 peak 1148 weight 1.00000E+00 volume 1.85123E+08 ppm1 3.137 ppm2 0.758
ASSI { 1152}
(( resid 49 and name HG1 ))
(( resid 49 and name HN ))
4.000 2.200 0.000 peak 1152 weight 1.00000E+00 volume 1.70939E+08 ppm1 2.356 ppm2 8.829
ASSI { 1153}
(( resid 49 and name HB2 ))
(( resid 49 and name HN ))
4.000 2.200 0.000 peak 1153 weight 1.00000E+00 volume 3.17579E+08 ppm1 2.123 ppm2 8.829
ASSI { 1154}
(( resid 49 and name HB1 ))
(( resid 49 and name HN ))
4.000 2.200 0.000 peak 1154 weight 1.00000E+00 volume 3.15021E+08 ppm1 2.057 ppm2 8.828
ASSI { 1155}
(( resid 49 and name HN ))
(( resid 48 and name HG ))
5.000 3.200 0.000 peak 1155 weight 1.00000E+00 volume 8.26199E+07 ppm1 8.828 ppm2 1.063
ASSI { 1163}
(( resid 75 and name HB1 ))
(( resid 75 and name HN ))
2.800 1.000 0.000 peak 1163 weight 1.00000E+00 volume 3.84162E+08 ppm1 1.880 ppm2 8.703
ASSI { 1177}
(( resid 78 and name HN ))
(( resid 78 and name HB ))
2.800 1.000 0.000 peak 1177 weight 1.00000E+00 volume 7.53888E+07 ppm1 8.524 ppm2 2.072
ASSI { 1178}
(( resid 75 and name HN ))
( resid 60 and name HD1#)
6.000 4.200 0.000 peak 1178 weight 1.00000E+00 volume 1.24967E+08 ppm1 8.702 ppm2 0.801
ASSI { 1180}
( resid 79 and name HG# )
( resid 75 and name HG# )
4.000 2.200 0.000 peak 1180 weight 1.00000E+00 volume 1.65057E+08 ppm1 2.555 ppm2 1.405
ASSI { 1181}
( resid 67 and name HG# )
( resid 64 and name HB# )
5.000 3.200 0.000 peak 1181 weight 1.00000E+00 volume 2.51398E+08 ppm1 2.333 ppm2 1.405
ASSI { 1187}
(( resid 57 and name HN ))
(( resid 57 and name HB ))
5.000 3.200 0.000 peak 1187 weight 1.00000E+00 volume 1.26016E+08 ppm1 8.126 ppm2 2.114
ASSI { 1188}
(( resid 75 and name HD2 ))
(( resid 75 and name HD1 ))
2.800 1.000 0.000 peak 1188 weight 1.00000E+00 volume 1.46675E+09 ppm1 3.277 ppm2 3.141
ASSI { 1192}
( resid 58 and name HE# )
(( resid 58 and name HG2 ))
4.000 2.200 0.000 peak 1192 weight 1.00000E+00 volume 2.48779E+08 ppm1 2.823 ppm2 1.242
ASSI { 1196}
(( resid 80 and name HA2 ))
(( resid 83 and name HB1 ))
4.000 2.200 0.000 peak 1196 weight 1.00000E+00 volume 3.51689E+08 ppm1 3.993 ppm2 2.665
ASSI { 1199}
( resid 22 and name HE# )
(( resid 83 and name HB1 ))
5.000 3.200 0.000 peak 1199 weight 1.00000E+00 volume 1.16217E+08 ppm1 6.779 ppm2 2.675
ASSI { 1201}
( resid 18 and name HB# )
(( resid 18 and name HG ))
2.800 1.000 0.000 peak 1201 weight 1.00000E+00 volume 7.39836E+08 ppm1 1.875 ppm2 1.294
ASSI { 1202}
(( resid 95 and name HA ))
(( resid 95 and name HB1 ))
4.000 2.200 0.000 peak 1202 weight 1.00000E+00 volume 5.00969E+08 ppm1 4.595 ppm2 2.658
ASSI { 1203}
(( resid 95 and name HA ))
(( resid 95 and name HB2 ))
4.000 2.200 0.000 peak 1203 weight 1.00000E+00 volume 6.22456E+08 ppm1 4.595 ppm2 2.584
ASSI { 1206}
(( resid 86 and name HB1 ))
( resid 85 and name HG2#)
6.000 4.200 0.000 peak 1206 weight 1.00000E+00 volume 1.21762E+08 ppm1 1.822 ppm2 0.486
ASSI { 1209}
(( resid 98 and name HN ))
(( resid 98 and name HA ))
2.800 1.000 0.000 peak 1209 weight 1.00000E+00 volume 5.54747E+08 ppm1 7.948 ppm2 4.268
ASSI { 1214}
(( resid 40 and name HE1 ))
( resid 39 and name HB# )
5.000 3.200 0.000 peak 1214 weight 1.00000E+00 volume 7.95404E+07 ppm1 7.799 ppm2 2.969
ASSI { 1215}
( resid 41 and name HD# )
(( resid 40 and name HD2 ))
4.000 2.200 0.000 peak 1215 weight 1.00000E+00 volume 3.64763E+08 ppm1 7.073 ppm2 6.601
ASSI { 1216}
(( resid 39 and name HD2 ))
(( resid 40 and name HD2 ))
4.000 2.200 0.000 peak 1216 weight 1.00000E+00 volume 3.14286E+08 ppm1 6.732 ppm2 6.603
ASSI { 1217}
(( resid 40 and name HD2 ))
( resid 39 and name HB# )
5.000 3.200 0.000 peak 1217 weight 1.00000E+00 volume 5.88795E+07 ppm1 6.596 ppm2 2.967
ASSI { 1218}
( resid 24 and name HD# )
(( resid 40 and name HB1 ))
5.000 3.200 0.000 peak 1218 weight 1.00000E+00 volume 2.69213E+08 ppm1 6.962 ppm2 2.874
ASSI { 1220}
(( resid 37 and name HA ))
(( resid 40 and name HB1 ))
4.000 2.200 0.000 peak 1220 weight 1.00000E+00 volume 3.03697E+08 ppm1 4.164 ppm2 2.871
ASSI { 1225}
(( resid 91 and name HA ))
(( resid 92 and name HG1 ))
4.000 2.200 0.000 peak 1225 weight 1.00000E+00 volume 6.62238E+07 ppm1 4.502 ppm2 1.957
ASSI { 1226}
(( resid 60 and name HA ))
( resid 63 and name HD# )
4.000 2.200 0.000 peak 1226 weight 1.00000E+00 volume 1.96099E+08 ppm1 4.133 ppm2 3.205
ASSI { 1229}
( resid 58 and name HD# )
(( resid 58 and name HG2 ))
4.000 2.200 0.000 peak 1229 weight 1.00000E+00 volume 6.38910E+08 ppm1 1.576 ppm2 1.234
ASSI { 1230}
(( resid 102 and name HN ))
(( resid 102 and name HB2 ))
4.000 2.200 0.000 peak 1230 weight 1.00000E+00 volume 3.49297E+08 ppm1 7.657 ppm2 3.993
ASSI { 1231}
(( resid 27 and name HN ))
(( resid 26 and name HA ))
4.000 2.200 0.000 peak 1231 weight 1.00000E+00 volume 2.09848E+08 ppm1 7.523 ppm2 4.176
ASSI { 1232}
(( resid 27 and name HN ))
(( resid 23 and name HA ))
4.000 2.200 0.000 peak 1232 weight 1.00000E+00 volume 1.56729E+08 ppm1 7.524 ppm2 4.080
ASSI { 1233}
(( resid 78 and name HN ))
(( resid 78 and name HA ))
4.000 2.200 0.000 peak 1233 weight 1.00000E+00 volume 5.01393E+08 ppm1 8.528 ppm2 3.470
ASSI { 1234}
(( resid 47 and name HN ))
(( resid 46 and name HB1 ))
5.000 3.200 0.000 peak 1234 weight 1.00000E+00 volume 1.42998E+08 ppm1 8.146 ppm2 2.374
ASSI { 1238}
(( resid 64 and name HN ))
( resid 63 and name HG# )
4.000 2.200 0.000 peak 1238 weight 1.00000E+00 volume 7.18167E+07 ppm1 8.290 ppm2 1.648
ASSI { 1249}
(( resid 20 and name HD2 ))
(( resid 19 and name HB2 ))
5.000 3.200 0.000 peak 1249 weight 1.00000E+00 volume 8.67151E+07 ppm1 7.126 ppm2 2.696
ASSI { 1251}
( resid 22 and name HE# )
(( resid 83 and name HA ))
5.000 3.200 0.000 peak 1251 weight 1.00000E+00 volume 1.24587E+08 ppm1 6.776 ppm2 4.381
ASSI { 1252}
( resid 22 and name HD# )
(( resid 19 and name HA ))
5.000 3.200 0.000 peak 1252 weight 1.00000E+00 volume 1.23604E+08 ppm1 6.954 ppm2 4.469
ASSI { 1257}
(( resid 61 and name HN ))
(( resid 57 and name HA ))
4.000 2.200 0.000 peak 1257 weight 1.00000E+00 volume 1.56021E+08 ppm1 8.010 ppm2 3.509
ASSI { 1258}
( resid 58 and name HE# )
( resid 58 and name HD# )
2.800 1.000 0.000 peak 1258 weight 1.00000E+00 volume 4.74447E+08 ppm1 2.821 ppm2 1.578
ASSI { 1259}
( resid 58 and name HE# )
(( resid 58 and name HG2 ))
4.000 2.200 0.000 peak 1259 weight 1.00000E+00 volume 2.33370E+08 ppm1 2.823 ppm2 1.368
ASSI { 1260}
( resid 27 and name HE# )
( resid 27 and name HD# )
4.000 2.200 0.000 peak 1260 weight 1.00000E+00 volume 2.64558E+08 ppm1 2.991 ppm2 1.550
ASSI { 1261}
( resid 27 and name HE# )
(( resid 27 and name HG2 ))
4.000 2.200 0.000 peak 1261 weight 1.00000E+00 volume 2.35551E+08 ppm1 2.989 ppm2 1.447
ASSI { 1262}
(( resid 86 and name HD1 ))
(( resid 86 and name HG2 ))
2.800 1.000 0.000 peak 1262 weight 1.00000E+00 volume 4.87763E+08 ppm1 2.987 ppm2 1.640
ASSI { 1264}
(( resid 86 and name HD2 ))
(( resid 86 and name HG2 ))
4.000 2.200 0.000 peak 1264 weight 1.00000E+00 volume 2.36498E+08 ppm1 2.754 ppm2 1.639
ASSI { 1265}
(( resid 59 and name HE2 ))
(( resid 58 and name HG2 ))
4.000 2.200 0.000 peak 1265 weight 1.00000E+00 volume 2.55223E+08 ppm1 2.934 ppm2 1.338
ASSI { 1266}
(( resid 23 and name HA ))
( resid 27 and name HD# )
4.000 2.200 0.000 peak 1266 weight 1.00000E+00 volume 4.25077E+08 ppm1 4.070 ppm2 1.563
ASSI { 1270}
(( resid 73 and name HB2 ))
( resid 76 and name HB# )
5.000 3.200 0.000 peak 1270 weight 1.00000E+00 volume 1.64147E+08 ppm1 2.661 ppm2 1.464
ASSI { 1271}
(( resid 49 and name HN ))
( resid 48 and name HD2#)
6.000 4.200 0.000 peak 1271 weight 1.00000E+00 volume 5.59785E+07 ppm1 8.826 ppm2 0.739
ASSI { 1273}
(( resid 56 and name HN ))
( resid 48 and name HD2#)
6.000 4.200 0.000 peak 1273 weight 1.00000E+00 volume 6.47473E+07 ppm1 8.408 ppm2 0.738
ASSI { 1274}
(( resid 56 and name HN ))
( resid 55 and name HB# )
2.800 1.000 0.000 peak 1274 weight 1.00000E+00 volume 4.16904E+07 ppm1 8.400 ppm2 2.049
ASSI { 1276}
(( resid 80 and name HN ))
( resid 25 and name HD1#)
6.000 4.200 0.000 peak 1276 weight 1.00000E+00 volume 4.57619E+07 ppm1 8.324 ppm2 0.714
ASSI { 1277}
(( resid 80 and name HN ))
( resid 78 and name HG1#)
6.000 4.200 0.000 peak 1277 weight 1.00000E+00 volume 6.35152E+07 ppm1 8.319 ppm2 0.775
ASSI { 1283}
(( resid 48 and name HA ))
( resid 48 and name HD1#)
5.000 3.200 0.000 peak 1283 weight 1.00000E+00 volume 3.72431E+08 ppm1 4.187 ppm2 0.875
ASSI { 1285}
(( resid 32 and name HA ))
( resid 35 and name HG1#)
5.000 3.200 0.000 peak 1285 weight 1.00000E+00 volume 1.82984E+08 ppm1 4.312 ppm2 1.008
ASSI { 1286}
(( resid 34 and name HA ))
( resid 35 and name HG1#)
5.000 3.200 0.000 peak 1286 weight 1.00000E+00 volume 1.73912E+08 ppm1 4.163 ppm2 1.009
ASSI { 1289}
(( resid 86 and name HE ))
(( resid 82 and name HG ))
5.000 3.200 0.000 peak 1289 weight 1.00000E+00 volume 1.45437E+08 ppm1 7.002 ppm2 1.521
ASSI { 1299}
(( resid 63 and name HA ))
(( resid 63 and name HB2 ))
4.000 2.200 0.000 peak 1299 weight 1.00000E+00 volume 1.64968E+08 ppm1 4.250 ppm2 1.890
ASSI { 1300}
(( resid 58 and name HA ))
(( resid 61 and name HB ))
5.000 3.200 0.000 peak 1300 weight 1.00000E+00 volume 1.19680E+08 ppm1 3.640 ppm2 2.123
ASSI { 1301}
(( resid 53 and name HA ))
( resid 56 and name HB# )
4.000 2.200 0.000 peak 1301 weight 1.00000E+00 volume 5.10468E+08 ppm1 4.519 ppm2 1.324
ASSI { 1302}
(( resid 46 and name HA ))
(( resid 49 and name HB2 ))
4.000 2.200 0.000 peak 1302 weight 1.00000E+00 volume 1.51788E+08 ppm1 4.404 ppm2 2.120
ASSI { 1305}
(( resid 43 and name HN ))
(( resid 40 and name HA ))
4.000 2.200 0.000 peak 1305 weight 1.00000E+00 volume 1.56160E+08 ppm1 8.027 ppm2 4.429
ASSI { 1309}
(( resid 20 and name HA ))
(( resid 23 and name HB1 ))
5.000 3.200 0.000 peak 1309 weight 1.00000E+00 volume 1.02591E+08 ppm1 4.645 ppm2 2.260
ASSI { 1312}
(( resid 94 and name HA ))
( resid 97 and name HB# )
4.000 2.200 0.000 peak 1312 weight 1.00000E+00 volume 2.84358E+08 ppm1 4.609 ppm2 1.355
ASSI { 1315}
(( resid 82 and name HN ))
(( resid 79 and name HA ))
4.000 2.200 0.000 peak 1315 weight 1.00000E+00 volume 3.51721E+08 ppm1 8.558 ppm2 3.946
ASSI { 1317}
(( resid 58 and name HN ))
(( resid 54 and name HA ))
4.000 2.200 0.000 peak 1317 weight 1.00000E+00 volume 2.33320E+08 ppm1 7.892 ppm2 3.769
ASSI { 1318}
(( resid 49 and name HN ))
(( resid 46 and name HA ))
4.000 2.200 0.000 peak 1318 weight 1.00000E+00 volume 9.88092E+07 ppm1 8.823 ppm2 4.410
ASSI { 1319}
(( resid 47 and name HN ))
(( resid 46 and name HA ))
4.000 2.200 0.000 peak 1319 weight 1.00000E+00 volume 1.45066E+08 ppm1 8.140 ppm2 4.407
ASSI { 1323}
(( resid 84 and name HN ))
(( resid 80 and name HA1 ))
5.000 3.200 0.000 peak 1323 weight 1.00000E+00 volume 5.22591E+07 ppm1 7.493 ppm2 3.903
ASSI { 1324}
(( resid 83 and name HN ))
(( resid 80 and name HA1 ))
4.000 2.200 0.000 peak 1324 weight 1.00000E+00 volume 1.79263E+08 ppm1 8.658 ppm2 3.904
ASSI { 1325}
(( resid 81 and name HN ))
(( resid 77 and name HA ))
5.000 3.200 0.000 peak 1325 weight 1.00000E+00 volume 1.40012E+08 ppm1 7.710 ppm2 4.091
ASSI { 1326}
(( resid 79 and name HN ))
(( resid 75 and name HA ))
4.000 2.200 0.000 peak 1326 weight 1.00000E+00 volume 1.63998E+08 ppm1 8.650 ppm2 3.671
ASSI { 1327}
(( resid 74 and name HN ))
(( resid 71 and name HA ))
5.000 3.200 0.000 peak 1327 weight 1.00000E+00 volume 3.23023E+07 ppm1 7.619 ppm2 4.435
ASSI { 1330}
(( resid 49 and name HN ))
(( resid 11 and name HG2 ))
5.000 3.200 0.000 peak 1330 weight 1.00000E+00 volume 3.31035E+07 ppm1 8.826 ppm2 2.200
ASSI { 1332}
(( resid 86 and name HE ))
(( resid 83 and name HA ))
5.000 3.200 0.000 peak 1332 weight 1.00000E+00 volume 1.33142E+08 ppm1 7.008 ppm2 4.379
ASSI { 1337}
( resid 22 and name HD# )
(( resid 83 and name HA ))
5.000 3.200 0.000 peak 1337 weight 1.00000E+00 volume 1.09830E+08 ppm1 6.957 ppm2 4.380
ASSI { 1340}
(( resid 52 and name HA1 ))
( resid 85 and name HD1#)
6.000 4.200 0.000 peak 1340 weight 1.00000E+00 volume 9.44213E+07 ppm1 4.242 ppm2 0.431
ASSI { 1341}
(( resid 48 and name HB2 ))
( resid 18 and name HD# )
5.000 3.200 0.000 peak 1341 weight 1.00000E+00 volume 2.93045E+08 ppm1 2.037 ppm2 0.616
ASSI { 1343}
(( resid 51 and name HB1 ))
( resid 85 and name HG2#)
6.000 4.200 0.000 peak 1343 weight 1.00000E+00 volume 7.76837E+07 ppm1 3.462 ppm2 0.483
ASSI { 1344}
(( resid 82 and name HB2 ))
( resid 85 and name HD1#)
6.000 4.200 0.000 peak 1344 weight 1.00000E+00 volume 1.23409E+08 ppm1 1.909 ppm2 0.427
ASSI { 1345}
(( resid 82 and name HB2 ))
( resid 85 and name HG2#)
6.000 4.200 0.000 peak 1345 weight 1.00000E+00 volume 1.00057E+08 ppm1 1.908 ppm2 0.487
ASSI { 1347}
(( resid 99 and name HA ))
( resid 96 and name HG# )
5.000 3.200 0.000 peak 1347 weight 1.00000E+00 volume 3.85746E+08 ppm1 4.520 ppm2 0.927
ASSI { 1349}
(( resid 53 and name HG ))
( resid 57 and name HG1#)
5.000 3.200 0.000 peak 1349 weight 1.00000E+00 volume 5.97452E+08 ppm1 1.696 ppm2 1.073
ASSI { 1351}
(( resid 21 and name HG ))
( resid 57 and name HG1#)
5.000 3.200 0.000 peak 1351 weight 1.00000E+00 volume 2.63080E+08 ppm1 1.525 ppm2 1.073
ASSI { 1352}
( resid 56 and name HB# )
( resid 57 and name HG1#)
6.000 4.200 0.000 peak 1352 weight 1.00000E+00 volume 3.67883E+08 ppm1 1.316 ppm2 1.074
ASSI { 1355}
(( resid 14 and name HA ))
(( resid 17 and name HG11))
5.000 3.200 0.000 peak 1355 weight 1.00000E+00 volume 5.50987E+07 ppm1 4.896 ppm2 1.264
ASSI { 1358}
(( resid 40 and name HE1 ))
(( resid 40 and name HA ))
5.000 3.200 0.000 peak 1358 weight 1.00000E+00 volume 1.26824E+08 ppm1 7.779 ppm2 4.428
! ASSI { 1360}
! (( resid 60 and name HA ))
! (( resid 57 and name HA ))
!
! 4.000 2.200 0.000 peak 1360 weight 1.00000E+00 volume 2.18593E+08 ppm1 4.132 ppm2 3.509
ASSI { 1364}
(( resid 26 and name HB1 ))
( resid 25 and name HD1#)
6.000 4.200 0.000 peak 1364 weight 1.00000E+00 volume 1.14313E+08 ppm1 2.550 ppm2 1.249
ASSI { 1367}
(( resid 86 and name HD2 ))
( resid 82 and name HD1#)
6.000 4.200 0.000 peak 1367 weight 1.00000E+00 volume 1.39435E+08 ppm1 2.755 ppm2 0.899
ASSI { 1370}
(( resid 43 and name HG2 ))
( resid 17 and name HG2#)
5.000 3.200 0.000 peak 1370 weight 1.00000E+00 volume 1.70259E+08 ppm1 2.257 ppm2 0.983
ASSI { 1373}
(( resid 89 and name HB2 ))
( resid 91 and name HG2#)
5.000 3.200 0.000 peak 1373 weight 1.00000E+00 volume 1.97819E+08 ppm1 2.182 ppm2 0.977
ASSI { 1376}
(( resid 78 and name HN ))
(( resid 77 and name HA ))
4.000 2.200 0.000 peak 1376 weight 1.00000E+00 volume 3.40230E+08 ppm1 8.526 ppm2 4.090
ASSI { 1377}
(( resid 20 and name HE1 ))
(( resid 40 and name HA ))
5.000 3.200 0.000 peak 1377 weight 1.00000E+00 volume 1.23124E+08 ppm1 8.224 ppm2 4.434
ASSI { 1380}
( resid 7 and name HA# )
( resid 6 and name HB# )
5.000 3.200 0.000 peak 1380 weight 1.00000E+00 volume 2.50265E+08 ppm1 3.931 ppm2 1.399
ASSI { 1384}
(( resid 71 and name HD2 ))
( resid 71 and name HB# )
4.000 2.200 0.000 peak 1384 weight 1.00000E+00 volume 1.78196E+08 ppm1 3.614 ppm2 2.390
! ASSI { 1385}
! (( resid 16 and name HB1 ))
! ( resid 12 and name HG2#)
!
! 5.000 3.200 0.000 peak 1385 weight 1.00000E+00 volume 1.92075E+08 ppm1 2.089 ppm2 1.204
ASSI { 1386}
(( resid 11 and name HB1 ))
( resid 12 and name HG2#)
5.000 3.200 0.000 peak 1386 weight 1.00000E+00 volume 2.45122E+08 ppm1 2.024 ppm2 1.205
ASSI { 1390}
(( resid 81 and name HN ))
( resid 84 and name HD1#)
5.000 3.200 0.000 peak 1390 weight 1.00000E+00 volume 1.67007E+08 ppm1 7.716 ppm2 0.981
ASSI { 1400}
(( resid 92 and name HD2 ))
(( resid 92 and name HG2 ))
4.000 2.200 0.000 peak 1400 weight 1.00000E+00 volume 1.78264E+08 ppm1 3.893 ppm2 1.697
ASSI { 1401}
(( resid 71 and name HA ))
(( resid 71 and name HD2 ))
4.000 2.200 0.000 peak 1401 weight 1.00000E+00 volume 2.65621E+08 ppm1 4.429 ppm2 3.612
ASSI { 1402}
(( resid 71 and name HA ))
(( resid 71 and name HD1 ))
4.000 2.200 0.000 peak 1402 weight 1.00000E+00 volume 5.55270E+08 ppm1 4.429 ppm2 3.968
ASSI { 1404}
(( resid 62 and name HN ))
(( resid 61 and name HA ))
4.000 2.200 0.000 peak 1404 weight 1.00000E+00 volume 3.24646E+08 ppm1 7.712 ppm2 3.981
ASSI { 1405}
(( resid 50 and name HN ))
(( resid 46 and name HA ))
5.000 3.200 0.000 peak 1405 weight 1.00000E+00 volume 6.42489E+07 ppm1 7.717 ppm2 4.409
ASSI { 1406}
(( resid 50 and name HN ))
(( resid 47 and name HA ))
4.000 2.200 0.000 peak 1406 weight 1.00000E+00 volume 7.66993E+07 ppm1 7.720 ppm2 4.477
ASSI { 1409}
(( resid 30 and name HD1 ))
(( resid 30 and name HB1 ))
5.000 3.200 0.000 peak 1409 weight 1.00000E+00 volume 1.45702E+08 ppm1 3.607 ppm2 2.272
ASSI { 1413}
(( resid 70 and name HN ))
(( resid 70 and name HB ))
5.000 3.200 0.000 peak 1413 weight 1.00000E+00 volume 6.34688E+07 ppm1 8.215 ppm2 2.092
ASSI { 1414}
(( resid 57 and name HB ))
( resid 60 and name HD1#)
4.000 2.200 0.000 peak 1414 weight 1.00000E+00 volume 1.38974E+09 ppm1 2.118 ppm2 0.803
ASSI { 1416}
(( resid 18 and name HN ))
(( resid 17 and name HA ))
4.000 2.200 0.000 peak 1416 weight 1.00000E+00 volume 3.88929E+08 ppm1 8.151 ppm2 3.862
ASSI { 1418}
(( resid 96 and name HN ))
(( resid 95 and name HA ))
4.000 2.200 0.000 peak 1418 weight 1.00000E+00 volume 1.89959E+08 ppm1 8.239 ppm2 4.594
ASSI { 1422}
(( resid 11 and name HG2 ))
( resid 12 and name HG2#)
6.000 4.200 0.000 peak 1422 weight 1.00000E+00 volume 1.05344E+08 ppm1 2.196 ppm2 1.204
!ASSI { 1425}
! (( resid 23 and name HA ))
! (( resid 22 and name HA ))
! 4.000 2.200 0.000 peak 1425 weight 1.00000E+00 volume 3.59063E+08 ppm1 4.073 ppm2 3.633
ASSI { 1}
(( resid 61 and name HN ))
( resid 61 and name HG# )
4.000 2.200 0.000 peak 1 weight 1.00000E+00 volume 2.31149E+09 ppm1 7.987 ppm2 0.791
ASSI { 7}
(( resid 87 and name HN ))
(( resid 87 and name HA ))
2.800 1.000 0.000 peak 7 weight 1.00000E+00 volume 1.30438E+09 ppm1 7.696 ppm2 4.460
ASSI { 8}
(( resid 87 and name HN ))
(( resid 87 and name HB2 ))
2.800 1.000 0.000 peak 8 weight 1.00000E+00 volume 1.56426E+09 ppm1 7.695 ppm2 3.989
ASSI { 9}
(( resid 87 and name HN ))
(( resid 87 and name HB1 ))
2.800 1.000 0.000 peak 9 weight 1.00000E+00 volume 1.72247E+09 ppm1 7.698 ppm2 4.057
ASSI { 11}
(( resid 74 and name HN ))
(( resid 73 and name HA ))
4.000 2.200 0.000 peak 11 weight 1.00000E+00 volume 7.05075E+08 ppm1 7.594 ppm2 4.659
ASSI { 13}
(( resid 34 and name HN ))
(( resid 33 and name HB1 ))
4.000 2.200 0.000 peak 13 weight 1.00000E+00 volume 3.64029E+08 ppm1 8.180 ppm2 2.864
ASSI { 14}
(( resid 34 and name HN ))
(( resid 33 and name HB2 ))
4.000 2.200 0.000 peak 14 weight 1.00000E+00 volume 5.16175E+08 ppm1 8.184 ppm2 2.738
ASSI { 20}
(( resid 20 and name HN ))
(( resid 19 and name HA ))
4.000 2.200 0.000 peak 20 weight 1.00000E+00 volume 5.82814E+08 ppm1 8.217 ppm2 4.458
ASSI { 27}
(( resid 82 and name HN ))
( resid 82 and name HD# )
4.000 2.200 0.000 peak 27 weight 1.00000E+00 volume 1.54265E+09 ppm1 8.580 ppm2 0.859
ASSI { 41}
(( resid 21 and name HN ))
(( resid 21 and name HA ))
2.800 1.000 0.000 peak 41 weight 1.00000E+00 volume 1.30397E+09 ppm1 8.483 ppm2 4.056
ASSI { 43}
(( resid 17 and name HN ))
(( resid 17 and name HB ))
2.500 0.700 0.000 peak 43 weight 1.00000E+00 volume 3.54654E+09 ppm1 7.751 ppm2 2.027
ASSI { 53}
(( resid 85 and name HN ))
( resid 85 and name HG1#)
4.000 2.200 0.000 peak 53 weight 1.00000E+00 volume 1.15351E+09 ppm1 8.050 ppm2 0.766
ASSI { 58}
(( resid 94 and name HN ))
(( resid 94 and name HA ))
4.000 2.200 0.000 peak 58 weight 1.00000E+00 volume 2.90179E+08 ppm1 7.876 ppm2 4.611
ASSI { 59}
(( resid 94 and name HN ))
(( resid 94 and name HB2 ))
5.000 3.200 0.000 peak 59 weight 1.00000E+00 volume 2.02501E+08 ppm1 7.875 ppm2 3.061
ASSI { 60}
(( resid 94 and name HN ))
(( resid 94 and name HB1 ))
5.000 3.200 0.000 peak 60 weight 1.00000E+00 volume 2.42500E+08 ppm1 7.876 ppm2 3.125
ASSI { 64}
(( resid 10 and name HN ))
(( resid 10 and name HA ))
4.000 2.200 0.000 peak 64 weight 1.00000E+00 volume 2.00523E+08 ppm1 8.409 ppm2 4.662
ASSI { 69}
(( resid 63 and name HN ))
(( resid 63 and name HB1 ))
4.000 2.200 0.000 peak 69 weight 1.00000E+00 volume 2.65248E+09 ppm1 8.025 ppm2 1.828
ASSI { 70}
(( resid 63 and name HN ))
( resid 63 and name HG# )
2.800 1.000 0.000 peak 70 weight 1.00000E+00 volume 1.97819E+09 ppm1 8.025 ppm2 1.645
ASSI { 73}
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4.000 2.200 0.000 peak 73 weight 1.00000E+00 volume 6.02477E+08 ppm1 8.115 ppm2 1.285
ASSI { 74}
(( resid 63 and name HN ))
( resid 62 and name HG# )
4.000 2.200 0.000 peak 74 weight 1.00000E+00 volume 7.95763E+08 ppm1 8.024 ppm2 1.396
ASSI { 83}
(( resid 79 and name HN ))
(( resid 79 and name HB2 ))
4.000 2.200 0.000 peak 83 weight 1.00000E+00 volume 1.03522E+09 ppm1 8.625 ppm2 2.170
ASSI { 87}
(( resid 77 and name HN ))
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2.800 1.000 0.000 peak 87 weight 1.00000E+00 volume 2.71820E+09 ppm1 8.112 ppm2 1.986
ASSI { 89}
(( resid 77 and name HN ))
( resid 77 and name HD# )
4.000 2.200 0.000 peak 89 weight 1.00000E+00 volume 2.11078E+09 ppm1 8.112 ppm2 1.661
ASSI { 98}
(( resid 50 and name HN ))
( resid 49 and name HB# )
3.500 1.000 0.000 peak 98 weight 1.00000E+00 volume 2.11836E+09 ppm1 7.701 ppm2 2.084
ASSI { 99}
(( resid 62 and name HN ))
(( resid 62 and name HB2 ))
2.500 0.700 0.000 peak 99 weight 1.00000E+00 volume 3.50244E+09 ppm1 7.711 ppm2 1.815
ASSI { 100}
(( resid 62 and name HN ))
( resid 62 and name HD# )
4.000 2.200 0.000 peak 100 weight 1.00000E+00 volume 9.04590E+08 ppm1 7.712 ppm2 1.448
ASSI { 102}
(( resid 62 and name HN ))
(( resid 62 and name HB1 ))
2.800 1.000 0.000 peak 102 weight 1.00000E+00 volume 2.01679E+09 ppm1 7.710 ppm2 1.632
ASSI { 117}
(( resid 67 and name HN ))
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4.000 2.200 0.000 peak 117 weight 1.00000E+00 volume 3.26578E+08 ppm1 8.127 ppm2 2.325
ASSI { 119}
(( resid 67 and name HN ))
(( resid 67 and name HB2 ))
4.000 2.200 0.000 peak 119 weight 1.00000E+00 volume 3.65105E+08 ppm1 8.129 ppm2 2.136
ASSI { 125}
(( resid 49 and name HN ))
( resid 49 and name HB# )
2.800 1.000 0.000 peak 125 weight 1.00000E+00 volume 1.59997E+09 ppm1 8.833 ppm2 2.080
ASSI { 126}
(( resid 55 and name HN ))
(( resid 55 and name HA ))
4.000 2.200 0.000 peak 126 weight 1.00000E+00 volume 1.12706E+09 ppm1 8.332 ppm2 3.990
ASSI { 128}
(( resid 42 and name HN ))
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4.000 2.200 0.000 peak 128 weight 1.00000E+00 volume 6.74415E+08 ppm1 8.353 ppm2 4.012
ASSI { 138}
(( resid 81 and name HN ))
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4.000 2.200 0.000 peak 138 weight 1.00000E+00 volume 1.01953E+09 ppm1 7.758 ppm2 3.991
ASSI { 150}
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2.800 1.000 0.000 peak 150 weight 1.00000E+00 volume 1.00835E+09 ppm1 8.482 ppm2 8.215
ASSI { 152}
(( resid 15 and name HN ))
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4.000 2.200 0.000 peak 152 weight 1.00000E+00 volume 8.79500E+08 ppm1 8.519 ppm2 7.942
ASSI { 155}
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2.800 1.000 0.000 peak 155 weight 1.00000E+00 volume 1.53460E+09 ppm1 7.941 ppm2 7.751
ASSI { 158}
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(( resid 17 and name HN ))
2.800 1.000 0.000 peak 158 weight 1.00000E+00 volume 1.02145E+09 ppm1 8.184 ppm2 7.749
ASSI { 159}
(( resid 22 and name HN ))
(( resid 23 and name HN ))
2.800 1.000 0.000 peak 159 weight 1.00000E+00 volume 1.36963E+09 ppm1 8.504 ppm2 8.080
ASSI { 166}
(( resid 26 and name HN ))
(( resid 26 and name HB1 ))
4.000 2.200 0.000 peak 166 weight 1.00000E+00 volume 5.72993E+08 ppm1 8.661 ppm2 2.545
ASSI { 168}
(( resid 26 and name HN ))
(( resid 25 and name HN ))
4.000 2.200 0.000 peak 168 weight 1.00000E+00 volume 3.88247E+08 ppm1 8.661 ppm2 8.116
ASSI { 169}
(( resid 26 and name HN ))
(( resid 27 and name HN ))
4.000 2.200 0.000 peak 169 weight 1.00000E+00 volume 5.04937E+08 ppm1 8.661 ppm2 7.538
ASSI { 173}
(( resid 28 and name HN ))
(( resid 27 and name HN ))
4.000 2.200 0.000 peak 173 weight 1.00000E+00 volume 9.80297E+08 ppm1 7.869 ppm2 7.534
ASSI { 174}
(( resid 29 and name HN ))
(( resid 28 and name HN ))
4.000 2.200 0.000 peak 174 weight 1.00000E+00 volume 7.81293E+08 ppm1 8.073 ppm2 7.889
ASSI { 176}
(( resid 34 and name HN ))
(( resid 33 and name HN ))
4.000 2.200 0.000 peak 176 weight 1.00000E+00 volume 4.98731E+08 ppm1 8.184 ppm2 7.999
ASSI { 177}
(( resid 34 and name HN ))
(( resid 35 and name HN ))
4.000 2.200 0.000 peak 177 weight 1.00000E+00 volume 7.45994E+08 ppm1 8.183 ppm2 7.906
ASSI { 179}
(( resid 37 and name HN ))
(( resid 36 and name HN ))
4.000 2.200 0.000 peak 179 weight 1.00000E+00 volume 9.09337E+08 ppm1 8.010 ppm2 7.828
ASSI { 180}
(( resid 38 and name HN ))
(( resid 37 and name HN ))
4.000 2.200 0.000 peak 180 weight 1.00000E+00 volume 7.00364E+08 ppm1 8.262 ppm2 8.010
ASSI { 181}
(( resid 42 and name HN ))
(( resid 43 and name HN ))
4.000 2.200 0.000 peak 181 weight 1.00000E+00 volume 3.54250E+08 ppm1 8.350 ppm2 8.010
ASSI { 183}
(( resid 43 and name HN ))
(( resid 44 and name HN ))
4.000 2.200 0.000 peak 183 weight 1.00000E+00 volume 1.00244E+09 ppm1 8.010 ppm2 7.902
ASSI { 186}
(( resid 45 and name HN ))
(( resid 44 and name HN ))
4.000 2.200 0.000 peak 186 weight 1.00000E+00 volume 6.08934E+08 ppm1 8.091 ppm2 7.907
ASSI { 188}
(( resid 47 and name HN ))
(( resid 48 and name HN ))
4.000 2.200 0.000 peak 188 weight 1.00000E+00 volume 9.07815E+08 ppm1 8.113 ppm2 7.958
ASSI { 190}
(( resid 49 and name HN ))
(( resid 48 and name HN ))
4.000 2.200 0.000 peak 190 weight 1.00000E+00 volume 7.29678E+08 ppm1 8.835 ppm2 7.960
ASSI { 191}
(( resid 49 and name HN ))
(( resid 50 and name HN ))
4.000 2.200 0.000 peak 191 weight 1.00000E+00 volume 6.24466E+08 ppm1 8.835 ppm2 7.702
ASSI { 201}
(( resid 52 and name HN ))
(( resid 50 and name HN ))
4.000 2.200 0.000 peak 201 weight 1.00000E+00 volume 3.65026E+08 ppm1 7.932 ppm2 7.698
ASSI { 204}
(( resid 53 and name HN ))
(( resid 52 and name HN ))
2.800 1.000 0.000 peak 204 weight 1.00000E+00 volume 1.50175E+09 ppm1 8.124 ppm2 7.940
ASSI { 206}
(( resid 54 and name HN ))
(( resid 53 and name HN ))
2.800 1.000 0.000 peak 206 weight 1.00000E+00 volume 1.44316E+09 ppm1 8.495 ppm2 8.123
ASSI { 207}
(( resid 54 and name HN ))
(( resid 55 and name HN ))
4.000 2.200 0.000 peak 207 weight 1.00000E+00 volume 7.69366E+08 ppm1 8.494 ppm2 8.336
ASSI { 209}
(( resid 55 and name HN ))
(( resid 57 and name HN ))
5.000 3.200 0.000 peak 209 weight 1.00000E+00 volume 2.68818E+08 ppm1 8.331 ppm2 8.099
ASSI { 210}
(( resid 56 and name HN ))
(( resid 57 and name HN ))
2.800 1.000 0.000 peak 210 weight 1.00000E+00 volume 1.02229E+09 ppm1 8.377 ppm2 8.088
ASSI { 212}
(( resid 57 and name HN ))
(( resid 58 and name HN ))
2.800 1.000 0.000 peak 212 weight 1.00000E+00 volume 1.73989E+09 ppm1 8.089 ppm2 7.904
ASSI { 214}
(( resid 58 and name HN ))
(( resid 59 and name HN ))
2.800 1.000 0.000 peak 214 weight 1.00000E+00 volume 1.52340E+09 ppm1 7.902 ppm2 7.414
ASSI { 217}
(( resid 60 and name HN ))
(( resid 59 and name HN ))
2.800 1.000 0.000 peak 217 weight 1.00000E+00 volume 1.43439E+09 ppm1 7.725 ppm2 7.413
ASSI { 219}
(( resid 61 and name HN ))
(( resid 60 and name HN ))
2.800 1.000 0.000 peak 219 weight 1.00000E+00 volume 2.43524E+09 ppm1 7.986 ppm2 7.718
ASSI { 221}
(( resid 63 and name HN ))
(( resid 62 and name HN ))
2.800 1.000 0.000 peak 221 weight 1.00000E+00 volume 1.24242E+09 ppm1 8.024 ppm2 7.713
ASSI { 223}
(( resid 64 and name HN ))
(( resid 63 and name HN ))
4.000 2.200 0.000 peak 223 weight 1.00000E+00 volume 4.89423E+08 ppm1 8.276 ppm2 8.027
ASSI { 225}
(( resid 69 and name HN ))
(( resid 70 and name HN ))
4.000 2.200 0.000 peak 225 weight 1.00000E+00 volume 1.16141E+09 ppm1 8.288 ppm2 8.190
ASSI { 228}
(( resid 75 and name HN ))
(( resid 74 and name HN ))
4.000 2.200 0.000 peak 228 weight 1.00000E+00 volume 8.58476E+08 ppm1 8.644 ppm2 7.594
ASSI { 229}
(( resid 75 and name HN ))
(( resid 76 and name HN ))
2.800 1.000 0.000 peak 229 weight 1.00000E+00 volume 1.14156E+09 ppm1 8.645 ppm2 8.006
ASSI { 232}
(( resid 77 and name HN ))
(( resid 76 and name HN ))
2.500 0.700 0.000 peak 232 weight 1.00000E+00 volume 2.26213E+09 ppm1 8.112 ppm2 8.010
ASSI { 234}
(( resid 78 and name HN ))
(( resid 77 and name HN ))
2.800 1.000 0.000 peak 234 weight 1.00000E+00 volume 1.66962E+09 ppm1 8.540 ppm2 8.113
ASSI { 237}
(( resid 79 and name HN ))
(( resid 80 and name HN ))
2.800 1.000 0.000 peak 237 weight 1.00000E+00 volume 1.15881E+09 ppm1 8.625 ppm2 8.290
ASSI { 238}
(( resid 79 and name HN ))
(( resid 78 and name HN ))
2.800 1.000 0.000 peak 238 weight 1.00000E+00 volume 2.38966E+09 ppm1 8.625 ppm2 8.535
ASSI { 243}
(( resid 80 and name HN ))
(( resid 81 and name HN ))
2.800 1.000 0.000 peak 243 weight 1.00000E+00 volume 1.43593E+09 ppm1 8.288 ppm2 7.758
ASSI { 244}
(( resid 82 and name HN ))
(( resid 81 and name HN ))
2.800 1.000 0.000 peak 244 weight 1.00000E+00 volume 1.50653E+09 ppm1 8.579 ppm2 7.759
ASSI { 246}
(( resid 82 and name HN ))
( resid 22 and name HE# )
6.000 4.200 0.000 peak 246 weight 1.00000E+00 volume 1.49430E+08 ppm1 8.580 ppm2 6.780
ASSI { 247}
(( resid 82 and name HN ))
(( resid 80 and name HN ))
4.000 2.200 0.000 peak 247 weight 1.00000E+00 volume 3.08037E+08 ppm1 8.581 ppm2 8.280
ASSI { 248}
(( resid 83 and name HN ))
(( resid 84 and name HN ))
2.800 1.000 0.000 peak 248 weight 1.00000E+00 volume 1.53536E+09 ppm1 8.657 ppm2 7.492
ASSI { 253}
(( resid 85 and name HN ))
(( resid 84 and name HN ))
2.800 1.000 0.000 peak 253 weight 1.00000E+00 volume 1.42530E+09 ppm1 8.050 ppm2 7.492
ASSI { 255}
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(( resid 85 and name HN ))
2.800 1.000 0.000 peak 255 weight 1.00000E+00 volume 1.37654E+09 ppm1 8.479 ppm2 8.053
ASSI { 256}
(( resid 86 and name HN ))
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2.800 1.000 0.000 peak 256 weight 1.00000E+00 volume 9.53494E+08 ppm1 8.478 ppm2 7.696
ASSI { 259}
(( resid 88 and name HN ))
(( resid 87 and name HN ))
2.800 1.000 0.000 peak 259 weight 1.00000E+00 volume 1.47541E+09 ppm1 7.858 ppm2 7.695
ASSI { 260}
(( resid 58 and name HN ))
(( resid 60 and name HN ))
4.000 2.200 0.000 peak 260 weight 1.00000E+00 volume 7.40777E+08 ppm1 7.903 ppm2 7.724
ASSI { 263}
(( resid 90 and name HN ))
(( resid 89 and name HN ))
4.000 2.200 0.000 peak 263 weight 1.00000E+00 volume 2.83657E+08 ppm1 8.256 ppm2 7.895
ASSI { 264}
(( resid 93 and name HN ))
(( resid 94 and name HN ))
5.000 3.200 0.000 peak 264 weight 1.00000E+00 volume 2.21344E+08 ppm1 8.518 ppm2 7.877
ASSI { 269}
(( resid 97 and name HN ))
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4.000 2.200 0.000 peak 269 weight 1.00000E+00 volume 5.33465E+08 ppm1 8.423 ppm2 8.247
ASSI { 270}
(( resid 97 and name HN ))
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4.000 2.200 0.000 peak 270 weight 1.00000E+00 volume 3.60347E+08 ppm1 8.421 ppm2 7.974
ASSI { 275}
(( resid 99 and name HN ))
(( resid 98 and name HN ))
4.000 2.200 0.000 peak 275 weight 1.00000E+00 volume 2.68729E+08 ppm1 8.214 ppm2 7.979
ASSI { 278}
(( resid 6 and name HN ))
(( resid 6 and name HA ))
5.000 3.200 0.000 peak 278 weight 1.00000E+00 volume 2.65849E+08 ppm1 8.411 ppm2 4.331
ASSI { 282}
(( resid 97 and name HN ))
( resid 96 and name HG1#)
4.000 2.200 0.000 peak 282 weight 1.00000E+00 volume 1.07220E+09 ppm1 8.421 ppm2 0.919
ASSI { 283}
(( resid 97 and name HN ))
(( resid 96 and name HB ))
4.000 2.200 0.000 peak 283 weight 1.00000E+00 volume 3.75813E+08 ppm1 8.421 ppm2 2.051
ASSI { 284}
(( resid 97 and name HN ))
(( resid 96 and name HA ))
4.000 2.200 0.000 peak 284 weight 1.00000E+00 volume 1.46828E+09 ppm1 8.421 ppm2 3.990
ASSI { 293}
(( resid 56 and name HN ))
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2.800 1.000 0.000 peak 293 weight 1.00000E+00 volume 1.44815E+09 ppm1 8.377 ppm2 3.999
ASSI { 298}
(( resid 64 and name HN ))
(( resid 64 and name HA ))
2.800 1.000 0.000 peak 298 weight 1.00000E+00 volume 1.18999E+09 ppm1 8.274 ppm2 4.327
ASSI { 305}
(( resid 98 and name HN ))
( resid 98 and name HB# )
4.000 2.200 0.000 peak 305 weight 1.00000E+00 volume 2.57016E+09 ppm1 7.979 ppm2 1.355
ASSI { 317}
(( resid 52 and name HN ))
(( resid 52 and name HA2 ))
2.800 1.000 0.000 peak 317 weight 1.00000E+00 volume 1.89807E+09 ppm1 7.937 ppm2 3.982
ASSI { 318}
(( resid 66 and name HN ))
(( resid 65 and name HA ))
4.000 2.200 0.000 peak 318 weight 1.00000E+00 volume 4.69470E+08 ppm1 8.398 ppm2 4.296
ASSI { 319}
(( resid 66 and name HN ))
(( resid 66 and name HA2 ))
4.000 2.200 0.000 peak 319 weight 1.00000E+00 volume 3.62931E+08 ppm1 8.398 ppm2 4.036
ASSI { 320}
(( resid 66 and name HN ))
(( resid 66 and name HA1 ))
4.000 2.200 0.000 peak 320 weight 1.00000E+00 volume 3.60308E+08 ppm1 8.397 ppm2 3.926
ASSI { 322}
(( resid 66 and name HN ))
( resid 65 and name HB# )
6.000 4.200 0.000 peak 322 weight 1.00000E+00 volume 2.58863E+08 ppm1 8.398 ppm2 1.407
ASSI { 331}
(( resid 88 and name HN ))
(( resid 87 and name HA ))
4.000 2.200 0.000 peak 331 weight 1.00000E+00 volume 6.78997E+08 ppm1 7.858 ppm2 4.458
ASSI { 337}
(( resid 32 and name HN ))
(( resid 32 and name HB2 ))
5.000 3.200 0.000 peak 337 weight 1.00000E+00 volume 2.56493E+08 ppm1 8.296 ppm2 3.883
ASSI { 338}
(( resid 32 and name HN ))
(( resid 32 and name HB1 ))
4.000 2.200 0.000 peak 338 weight 1.00000E+00 volume 2.74129E+08 ppm1 8.298 ppm2 3.966
ASSI { 343}
(( resid 44 and name HN ))
( resid 44 and name HB# )
4.000 2.200 0.000 peak 343 weight 1.00000E+00 volume 8.69132E+08 ppm1 7.901 ppm2 3.813
ASSI { 345}
(( resid 44 and name HN ))
(( resid 43 and name HA ))
4.000 2.200 0.000 peak 345 weight 1.00000E+00 volume 6.95985E+08 ppm1 7.901 ppm2 4.202
ASSI { 347}
(( resid 45 and name HN ))
(( resid 45 and name HB2 ))
4.000 2.200 0.000 peak 347 weight 1.00000E+00 volume 8.32016E+08 ppm1 8.096 ppm2 3.929
ASSI { 349}
(( resid 45 and name HN ))
(( resid 45 and name HA ))
4.000 2.200 0.000 peak 349 weight 1.00000E+00 volume 5.29570E+08 ppm1 8.092 ppm2 4.287
ASSI { 352}
(( resid 90 and name HN ))
( resid 90 and name HB# )
2.800 1.000 0.000 peak 352 weight 1.00000E+00 volume 1.21688E+09 ppm1 8.253 ppm2 3.801
ASSI { 354}
(( resid 108 and name HN ))
(( resid 107 and name HA ))
4.000 2.200 0.000 peak 354 weight 1.00000E+00 volume 4.71966E+08 ppm1 8.003 ppm2 4.339
ASSI { 355}
(( resid 108 and name HN ))
(( resid 108 and name HA ))
4.000 2.200 0.000 peak 355 weight 1.00000E+00 volume 9.30103E+08 ppm1 7.999 ppm2 4.265
ASSI { 361}
(( resid 13 and name HN ))
(( resid 13 and name HA ))
4.000 2.200 0.000 peak 361 weight 1.00000E+00 volume 4.36178E+08 ppm1 8.591 ppm2 4.687
ASSI { 374}
(( resid 61 and name HN ))
(( resid 61 and name HB ))
2.800 1.000 0.000 peak 374 weight 1.00000E+00 volume 1.38853E+09 ppm1 7.987 ppm2 2.092
ASSI { 380}
(( resid 68 and name HN ))
(( resid 67 and name HA ))
3.500 1.000 0.000 peak 380 weight 1.00000E+00 volume 1.30788E+09 ppm1 8.339 ppm2 4.350
ASSI { 387}
(( resid 96 and name HN ))
(( resid 96 and name HA ))
2.800 1.000 0.000 peak 387 weight 1.00000E+00 volume 1.20305E+09 ppm1 8.241 ppm2 3.991
ASSI { 390}
(( resid 96 and name HN ))
(( resid 96 and name HB ))
2.800 1.000 0.000 peak 390 weight 1.00000E+00 volume 1.91261E+09 ppm1 8.241 ppm2 2.049
ASSI { 391}
(( resid 91 and name HN ))
( resid 91 and name HG# )
4.000 2.200 0.000 peak 391 weight 1.00000E+00 volume 2.53111E+09 ppm1 8.300 ppm2 0.960
ASSI { 392}
(( resid 96 and name HN ))
( resid 96 and name HG# )
4.000 2.200 0.000 peak 392 weight 1.00000E+00 volume 2.26680E+09 ppm1 8.241 ppm2 0.920
ASSI { 396}
(( resid 8 and name HN ))
(( resid 8 and name HB1 ))
2.800 1.000 0.000 peak 396 weight 1.00000E+00 volume 1.30392E+09 ppm1 8.178 ppm2 1.835
ASSI { 397}
(( resid 8 and name HN ))
( resid 8 and name HG# )
4.000 2.200 0.000 peak 397 weight 1.00000E+00 volume 6.18472E+08 ppm1 8.176 ppm2 2.253
ASSI { 398}
(( resid 8 and name HN ))
(( resid 8 and name HA ))
2.800 1.000 0.000 peak 398 weight 1.00000E+00 volume 2.96212E+09 ppm1 8.179 ppm2 4.570
ASSI { 399}
(( resid 8 and name HN ))
(( resid 8 and name HB2 ))
4.000 2.200 0.000 peak 399 weight 1.00000E+00 volume 9.19475E+08 ppm1 8.174 ppm2 2.007
ASSI { 401}
(( resid 17 and name HN ))
( resid 16 and name HG# )
4.000 2.200 0.000 peak 401 weight 1.00000E+00 volume 2.98746E+08 ppm1 7.755 ppm2 2.268
ASSI { 402}
(( resid 16 and name HN ))
( resid 16 and name HG# )
4.000 2.200 0.000 peak 402 weight 1.00000E+00 volume 7.77863E+08 ppm1 7.942 ppm2 2.274
ASSI { 405}
(( resid 16 and name HN ))
(( resid 16 and name HB2 ))
4.000 2.200 0.000 peak 405 weight 1.00000E+00 volume 1.85005E+09 ppm1 7.940 ppm2 2.013
ASSI { 408}
(( resid 18 and name HN ))
( resid 18 and name HB# )
2.800 1.000 0.000 peak 408 weight 1.00000E+00 volume 2.13542E+09 ppm1 8.185 ppm2 1.879
ASSI { 409}
(( resid 18 and name HN ))
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2.800 1.000 0.000 peak 409 weight 1.00000E+00 volume 1.20876E+09 ppm1 8.185 ppm2 2.028
ASSI { 414}
(( resid 18 and name HN ))
( resid 82 and name HD1#)
5.000 3.200 0.000 peak 414 weight 1.00000E+00 volume 3.88899E+08 ppm1 8.187 ppm2 0.859
ASSI { 419}
(( resid 19 and name HN ))
(( resid 19 and name HA ))
2.800 1.000 0.000 peak 419 weight 1.00000E+00 volume 1.22508E+09 ppm1 8.115 ppm2 4.457
ASSI { 420}
(( resid 19 and name HN ))
( resid 18 and name HD# )
5.000 3.200 0.000 peak 420 weight 1.00000E+00 volume 4.73577E+08 ppm1 8.114 ppm2 0.612
ASSI { 426}
(( resid 22 and name HN ))
(( resid 21 and name HA ))
4.000 2.200 0.000 peak 426 weight 1.00000E+00 volume 1.03446E+09 ppm1 8.504 ppm2 4.059
ASSI { 430}
(( resid 23 and name HN ))
(( resid 22 and name HB2 ))
4.000 2.200 0.000 peak 430 weight 1.00000E+00 volume 1.16941E+09 ppm1 8.080 ppm2 3.003
ASSI { 437}
(( resid 22 and name HN ))
(( resid 21 and name HB1 ))
4.000 2.200 0.000 peak 437 weight 1.00000E+00 volume 1.06984E+09 ppm1 8.502 ppm2 1.615
ASSI { 442}
(( resid 37 and name HN ))
( resid 37 and name HB# )
2.800 1.000 0.000 peak 442 weight 1.00000E+00 volume 1.57101E+09 ppm1 8.009 ppm2 2.828
ASSI { 448}
(( resid 29 and name HN ))
( resid 28 and name HB# )
2.800 1.000 0.000 peak 448 weight 1.00000E+00 volume 1.32034E+09 ppm1 8.072 ppm2 1.954
ASSI { 449}
(( resid 24 and name HN ))
(( resid 23 and name HB2 ))
4.000 2.200 0.000 peak 449 weight 1.00000E+00 volume 1.06297E+09 ppm1 8.009 ppm2 2.171
ASSI { 450}
(( resid 24 and name HN ))
(( resid 23 and name HB1 ))
2.800 1.000 0.000 peak 450 weight 1.00000E+00 volume 1.41236E+09 ppm1 8.009 ppm2 2.242
ASSI { 453}
(( resid 27 and name HN ))
(( resid 27 and name HB2 ))
4.000 2.200 0.000 peak 453 weight 1.00000E+00 volume 1.16959E+09 ppm1 7.534 ppm2 1.889
ASSI { 458}
(( resid 27 and name HN ))
( resid 27 and name HG# )
4.000 2.200 0.000 peak 458 weight 1.00000E+00 volume 7.98860E+08 ppm1 7.533 ppm2 1.438
ASSI { 461}
(( resid 28 and name HN ))
(( resid 27 and name HB1 ))
4.000 2.200 0.000 peak 461 weight 1.00000E+00 volume 4.94969E+08 ppm1 7.870 ppm2 1.711
ASSI { 462}
(( resid 28 and name HN ))
(( resid 27 and name HB2 ))
4.000 2.200 0.000 peak 462 weight 1.00000E+00 volume 9.75657E+08 ppm1 7.872 ppm2 1.893
ASSI { 463}
(( resid 31 and name HN ))
(( resid 30 and name HA ))
4.000 2.200 0.000 peak 463 weight 1.00000E+00 volume 9.37904E+08 ppm1 8.442 ppm2 4.371
ASSI { 464}
(( resid 31 and name HN ))
( resid 31 and name HB# )
4.000 2.200 0.000 peak 464 weight 1.00000E+00 volume 5.04344E+08 ppm1 8.442 ppm2 2.705
ASSI { 465}
(( resid 32 and name HN ))
( resid 31 and name HB# )
5.000 3.200 0.000 peak 465 weight 1.00000E+00 volume 2.02685E+08 ppm1 8.297 ppm2 2.703
ASSI { 466}
(( resid 33 and name HN ))
(( resid 32 and name HA ))
4.000 2.200 0.000 peak 466 weight 1.00000E+00 volume 5.70730E+08 ppm1 7.988 ppm2 4.312
ASSI { 468}
(( resid 35 and name HN ))
( resid 34 and name HB# )
4.000 2.200 0.000 peak 468 weight 1.00000E+00 volume 1.54766E+09 ppm1 7.905 ppm2 1.566
ASSI { 471}
(( resid 36 and name HN ))
(( resid 35 and name HB ))
4.000 2.200 0.000 peak 471 weight 1.00000E+00 volume 5.21778E+08 ppm1 7.816 ppm2 2.101
ASSI { 478}
(( resid 42 and name HN ))
(( resid 41 and name HB1 ))
5.000 3.200 0.000 peak 478 weight 1.00000E+00 volume 2.23514E+08 ppm1 8.355 ppm2 2.849
ASSI { 479}
(( resid 43 and name HN ))
(( resid 42 and name HA ))
4.000 2.200 0.000 peak 479 weight 1.00000E+00 volume 8.75481E+08 ppm1 8.011 ppm2 4.011
ASSI { 482}
(( resid 43 and name HN ))
(( resid 43 and name HB2 ))
2.800 1.000 0.000 peak 482 weight 1.00000E+00 volume 1.72061E+09 ppm1 8.011 ppm2 1.992
ASSI { 483}
(( resid 44 and name HN ))
( resid 43 and name HG# )
4.000 2.200 0.000 peak 483 weight 1.00000E+00 volume 3.87433E+08 ppm1 7.896 ppm2 2.249
ASSI { 484}
(( resid 44 and name HN ))
(( resid 43 and name HB1 ))
4.000 2.200 0.000 peak 484 weight 1.00000E+00 volume 6.48906E+08 ppm1 7.905 ppm2 2.073
ASSI { 485}
(( resid 44 and name HN ))
(( resid 43 and name HB2 ))
4.000 2.200 0.000 peak 485 weight 1.00000E+00 volume 5.31767E+08 ppm1 7.898 ppm2 2.014
ASSI { 491}
(( resid 48 and name HN ))
(( resid 48 and name HB2 ))
4.000 2.200 0.000 peak 491 weight 1.00000E+00 volume 8.23416E+08 ppm1 7.955 ppm2 2.036
ASSI { 495}
(( resid 50 and name HN ))
( resid 49 and name HG# )
4.000 2.200 0.000 peak 495 weight 1.00000E+00 volume 3.32199E+08 ppm1 7.705 ppm2 2.365
ASSI { 502}
(( resid 53 and name HN ))
(( resid 52 and name HA1 ))
4.000 2.200 0.000 peak 502 weight 1.00000E+00 volume 9.37038E+08 ppm1 8.121 ppm2 4.243
ASSI { 503}
(( resid 54 and name HN ))
(( resid 53 and name HB1 ))
4.000 2.200 0.000 peak 503 weight 1.00000E+00 volume 5.65750E+08 ppm1 8.496 ppm2 1.675
ASSI { 504}
(( resid 57 and name HN ))
(( resid 56 and name HA ))
4.000 2.200 0.000 peak 504 weight 1.00000E+00 volume 7.71234E+08 ppm1 8.090 ppm2 3.999
ASSI { 506}
(( resid 57 and name HN ))
(( resid 54 and name HA ))
4.000 2.200 0.000 peak 506 weight 1.00000E+00 volume 6.45703E+08 ppm1 8.090 ppm2 3.773
ASSI { 515}
(( resid 59 and name HN ))
( resid 59 and name HG# )
4.000 2.200 0.000 peak 515 weight 1.00000E+00 volume 7.71056E+08 ppm1 7.413 ppm2 1.399
ASSI { 522}
(( resid 60 and name HN ))
(( resid 60 and name HB1 ))
2.800 1.000 0.000 peak 522 weight 1.00000E+00 volume 1.79297E+09 ppm1 7.725 ppm2 1.972
ASSI { 523}
(( resid 60 and name HN ))
(( resid 60 and name HB2 ))
4.000 2.200 0.000 peak 523 weight 1.00000E+00 volume 1.65120E+09 ppm1 7.725 ppm2 1.854
ASSI { 527}
(( resid 61 and name HN ))
(( resid 60 and name HB1 ))
4.000 2.200 0.000 peak 527 weight 1.00000E+00 volume 7.96293E+08 ppm1 7.986 ppm2 1.981
ASSI { 528}
(( resid 61 and name HN ))
(( resid 60 and name HB2 ))
4.000 2.200 0.000 peak 528 weight 1.00000E+00 volume 5.47548E+08 ppm1 7.989 ppm2 1.830
ASSI { 529}
(( resid 61 and name HN ))
(( resid 60 and name HG ))
4.000 2.200 0.000 peak 529 weight 1.00000E+00 volume 4.93744E+08 ppm1 7.983 ppm2 1.515
ASSI { 531}
(( resid 63 and name HN ))
(( resid 60 and name HA ))
4.000 2.200 0.000 peak 531 weight 1.00000E+00 volume 5.67924E+08 ppm1 8.023 ppm2 4.117
ASSI { 532}
(( resid 64 and name HN ))
(( resid 63 and name HB1 ))
4.000 2.200 0.000 peak 532 weight 1.00000E+00 volume 6.53367E+08 ppm1 8.275 ppm2 1.832
ASSI { 546}
(( resid 75 and name HN ))
(( resid 74 and name HG ))
4.000 2.200 0.000 peak 546 weight 1.00000E+00 volume 9.11372E+08 ppm1 8.644 ppm2 1.579
ASSI { 548}
(( resid 75 and name HN ))
( resid 74 and name HD1#)
4.000 2.200 0.000 peak 548 weight 1.00000E+00 volume 1.02316E+09 ppm1 8.643 ppm2 0.939
ASSI { 549}
(( resid 76 and name HN ))
(( resid 73 and name HA ))
4.000 2.200 0.000 peak 549 weight 1.00000E+00 volume 5.68739E+08 ppm1 8.005 ppm2 4.657
ASSI { 550}
(( resid 76 and name HN ))
(( resid 75 and name HA ))
4.000 2.200 0.000 peak 550 weight 1.00000E+00 volume 7.30655E+08 ppm1 8.008 ppm2 3.662
ASSI { 551}
(( resid 75 and name HN ))
(( resid 75 and name HB2 ))
2.800 1.000 0.000 peak 551 weight 1.00000E+00 volume 2.24596E+09 ppm1 8.644 ppm2 1.740
! ASSI { 552}
! (( resid 76 and name HN ))
! (( resid 75 and name HB1 ))
!
! 2.800 1.000 0.000 peak 552 weight 1.00000E+00 volume 1.79599E+09 ppm1 8.006 ppm2 1.875
ASSI { 554}
(( resid 85 and name HN ))
(( resid 84 and name HB1 ))
4.000 2.200 0.000 peak 554 weight 1.00000E+00 volume 9.63732E+08 ppm1 8.051 ppm2 1.824
ASSI { 556}
(( resid 78 and name HN ))
(( resid 75 and name HA ))
4.000 2.200 0.000 peak 556 weight 1.00000E+00 volume 4.65226E+08 ppm1 8.538 ppm2 3.667
ASSI { 564}
(( resid 80 and name HN ))
(( resid 79 and name HB2 ))
4.000 2.200 0.000 peak 564 weight 1.00000E+00 volume 5.55932E+08 ppm1 8.288 ppm2 2.175
ASSI { 566}
(( resid 81 and name HN ))
(( resid 78 and name HA ))
4.000 2.200 0.000 peak 566 weight 1.00000E+00 volume 6.79995E+08 ppm1 7.759 ppm2 3.468
ASSI { 567}
(( resid 81 and name HN ))
( resid 81 and name HB# )
2.800 1.000 0.000 peak 567 weight 1.00000E+00 volume 2.60446E+09 ppm1 7.757 ppm2 2.013
ASSI { 568}
(( resid 81 and name HN ))
( resid 81 and name HG# )
4.000 2.200 0.000 peak 568 weight 1.00000E+00 volume 1.14240E+09 ppm1 7.758 ppm2 1.779
ASSI { 569}
(( resid 83 and name HN ))
(( resid 82 and name HG ))
4.000 2.200 0.000 peak 569 weight 1.00000E+00 volume 8.59853E+08 ppm1 8.656 ppm2 1.523
ASSI { 573}
(( resid 91 and name HN ))
( resid 90 and name HB# )
4.000 2.200 0.000 peak 573 weight 1.00000E+00 volume 1.08317E+09 ppm1 8.300 ppm2 3.806
ASSI { 581}
(( resid 85 and name HN ))
(( resid 84 and name HA ))
4.000 2.200 0.000 peak 581 weight 1.00000E+00 volume 1.01828E+09 ppm1 8.050 ppm2 3.997
ASSI { 583}
(( resid 85 and name HN ))
(( resid 84 and name HB2 ))
2.800 1.000 0.000 peak 583 weight 1.00000E+00 volume 1.29819E+09 ppm1 8.052 ppm2 1.993
ASSI { 585}
(( resid 86 and name HN ))
(( resid 83 and name HA ))
4.000 2.200 0.000 peak 585 weight 1.00000E+00 volume 6.61042E+08 ppm1 8.479 ppm2 4.365
ASSI { 589}
(( resid 87 and name HN ))
(( resid 86 and name HB1 ))
4.000 2.200 0.000 peak 589 weight 1.00000E+00 volume 1.02700E+09 ppm1 7.696 ppm2 1.819
ASSI { 590}
(( resid 87 and name HN ))
(( resid 86 and name HG2 ))
4.000 2.200 0.000 peak 590 weight 1.00000E+00 volume 5.42139E+08 ppm1 7.696 ppm2 1.637
ASSI { 591}
(( resid 88 and name HN ))
(( resid 85 and name HA ))
4.000 2.200 0.000 peak 591 weight 1.00000E+00 volume 3.04998E+08 ppm1 7.854 ppm2 3.646
ASSI { 596}
(( resid 90 and name HN ))
(( resid 89 and name HG2 ))
5.000 3.200 0.000 peak 596 weight 1.00000E+00 volume 2.05351E+08 ppm1 8.249 ppm2 2.355
ASSI { 597}
(( resid 90 and name HN ))
(( resid 89 and name HG1 ))
5.000 3.200 0.000 peak 597 weight 1.00000E+00 volume 2.64389E+08 ppm1 8.257 ppm2 2.269
ASSI { 599}
(( resid 58 and name HN ))
( resid 58 and name HD# )
4.000 2.200 0.000 peak 599 weight 1.00000E+00 volume 8.38956E+08 ppm1 7.904 ppm2 1.571
ASSI { 602}
(( resid 93 and name HN ))
( resid 93 and name HG# )
2.800 1.000 0.000 peak 602 weight 1.00000E+00 volume 1.74879E+09 ppm1 8.519 ppm2 2.259
ASSI { 603}
(( resid 93 and name HN ))
(( resid 93 and name HB2 ))
4.000 2.200 0.000 peak 603 weight 1.00000E+00 volume 1.99869E+09 ppm1 8.518 ppm2 1.987
ASSI { 604}
(( resid 94 and name HN ))
(( resid 93 and name HA ))
4.000 2.200 0.000 peak 604 weight 1.00000E+00 volume 7.48487E+08 ppm1 7.877 ppm2 4.169
ASSI { 607}
(( resid 70 and name HN ))
(( resid 69 and name HA ))
4.000 2.200 0.000 peak 607 weight 1.00000E+00 volume 4.74585E+09 ppm1 8.192 ppm2 4.592
ASSI { 608}
(( resid 51 and name HN ))
( resid 50 and name HD# )
4.000 2.200 0.000 peak 608 weight 1.00000E+00 volume 5.18155E+08 ppm1 6.927 ppm2 1.635
ASSI { 609}
(( resid 11 and name HN ))
(( resid 10 and name HA ))
4.000 2.200 0.000 peak 609 weight 1.00000E+00 volume 4.15538E+08 ppm1 8.392 ppm2 4.654
ASSI { 612}
(( resid 15 and name HN ))
(( resid 15 and name HA ))
5.000 3.200 0.000 peak 612 weight 1.00000E+00 volume 2.60911E+08 ppm1 8.518 ppm2 4.373
ASSI { 615}
(( resid 20 and name HN ))
(( resid 17 and name HA ))
5.000 3.200 0.000 peak 615 weight 1.00000E+00 volume 5.69198E+08 ppm1 8.215 ppm2 3.850
ASSI { 618}
(( resid 23 and name HN ))
(( resid 20 and name HA ))
4.000 2.200 0.000 peak 618 weight 1.00000E+00 volume 5.37912E+08 ppm1 8.078 ppm2 4.638
ASSI { 619}
(( resid 23 and name HN ))
(( resid 19 and name HA ))
4.000 2.200 0.000 peak 619 weight 1.00000E+00 volume 4.37866E+08 ppm1 8.083 ppm2 4.459
ASSI { 621}
(( resid 25 and name HN ))
(( resid 24 and name HA ))
4.000 2.200 0.000 peak 621 weight 1.00000E+00 volume 5.34074E+08 ppm1 8.115 ppm2 4.213
ASSI { 626}
(( resid 26 and name HN ))
(( resid 23 and name HA ))
4.000 2.200 0.000 peak 626 weight 1.00000E+00 volume 2.76539E+08 ppm1 8.650 ppm2 4.070
ASSI { 627}
(( resid 26 and name HN ))
(( resid 25 and name HA ))
5.000 3.200 0.000 peak 627 weight 1.00000E+00 volume 2.34599E+08 ppm1 8.652 ppm2 3.754
ASSI { 628}
(( resid 29 and name HN ))
(( resid 28 and name HA ))
4.000 2.200 0.000 peak 628 weight 1.00000E+00 volume 1.03087E+09 ppm1 8.068 ppm2 3.856
ASSI { 638}
(( resid 52 and name HN ))
(( resid 51 and name HB1 ))
5.000 3.200 0.000 peak 638 weight 1.00000E+00 volume 2.72659E+08 ppm1 7.938 ppm2 3.472
ASSI { 644}
(( resid 55 and name HN ))
(( resid 54 and name HA ))
5.000 3.200 0.000 peak 644 weight 1.00000E+00 volume 2.55904E+08 ppm1 8.336 ppm2 3.769
ASSI { 645}
(( resid 56 and name HN ))
(( resid 53 and name HA ))
4.000 2.200 0.000 peak 645 weight 1.00000E+00 volume 3.49744E+08 ppm1 8.379 ppm2 4.556
ASSI { 647}
(( resid 59 and name HN ))
(( resid 57 and name HA ))
4.000 2.200 0.000 peak 647 weight 1.00000E+00 volume 3.30357E+08 ppm1 7.416 ppm2 3.520
ASSI { 654}
(( resid 77 and name HN ))
(( resid 73 and name HA ))
4.000 2.200 0.000 peak 654 weight 1.00000E+00 volume 3.35887E+08 ppm1 8.117 ppm2 4.661
ASSI { 657}
(( resid 87 and name HN ))
(( resid 83 and name HA ))
4.000 2.200 0.000 peak 657 weight 1.00000E+00 volume 2.86920E+08 ppm1 7.697 ppm2 4.356
ASSI { 658}
(( resid 89 and name HN ))
(( resid 88 and name HA2 ))
4.000 2.200 0.000 peak 658 weight 1.00000E+00 volume 1.04125E+09 ppm1 7.900 ppm2 4.075
ASSI { 659}
(( resid 87 and name HN ))
(( resid 85 and name HA ))
5.000 3.200 0.000 peak 659 weight 1.00000E+00 volume 2.69298E+08 ppm1 7.701 ppm2 3.638
ASSI { 662}
(( resid 97 and name HN ))
(( resid 94 and name HA ))
4.000 2.200 0.000 peak 662 weight 1.00000E+00 volume 2.82606E+08 ppm1 8.418 ppm2 4.598
ASSI { 678}
(( resid 69 and name HN ))
( resid 70 and name HG# )
5.000 3.200 0.000 peak 678 weight 1.00000E+00 volume 4.62492E+08 ppm1 8.288 ppm2 0.942
ASSI { 680}
(( resid 63 and name HN ))
(( resid 61 and name HA ))
4.000 2.200 0.000 peak 680 weight 1.00000E+00 volume 5.41128E+08 ppm1 8.025 ppm2 3.964
ASSI { 684}
(( resid 55 and name HN ))
(( resid 58 and name HG2 ))
4.000 2.200 0.000 peak 684 weight 1.00000E+00 volume 2.96241E+08 ppm1 8.334 ppm2 1.341
ASSI { 688}
(( resid 54 and name HN ))
(( resid 49 and name HA ))
4.000 2.200 0.000 peak 688 weight 1.00000E+00 volume 6.28547E+08 ppm1 8.496 ppm2 4.305
ASSI { 689}
(( resid 52 and name HN ))
(( resid 51 and name HB2 ))
4.000 2.200 0.000 peak 689 weight 1.00000E+00 volume 3.86361E+08 ppm1 7.938 ppm2 2.388
ASSI { 695}
(( resid 38 and name HN ))
( resid 37 and name HB# )
4.000 2.200 0.000 peak 695 weight 1.00000E+00 volume 7.81202E+08 ppm1 8.260 ppm2 2.834
ASSI { 700}
(( resid 25 and name HN ))
( resid 24 and name HB# )
4.000 2.200 0.000 peak 700 weight 1.00000E+00 volume 9.36547E+08 ppm1 8.112 ppm2 3.034
ASSI { 701}
(( resid 22 and name HN ))
( resid 82 and name HD1#)
4.000 2.200 0.000 peak 701 weight 1.00000E+00 volume 1.04681E+09 ppm1 8.505 ppm2 0.866
ASSI { 704}
(( resid 10 and name HN ))
(( resid 9 and name HA ))
4.000 2.200 0.000 peak 704 weight 1.00000E+00 volume 4.97913E+08 ppm1 8.406 ppm2 4.378
ASSI { 705}
(( resid 55 and name HN ))
( resid 55 and name HG# )
4.000 2.200 0.000 peak 705 weight 1.00000E+00 volume 8.65770E+08 ppm1 8.332 ppm2 2.424
ASSI { 706}
(( resid 55 and name HN ))
( resid 55 and name HB# )
2.800 1.000 0.000 peak 706 weight 1.00000E+00 volume 2.50755E+09 ppm1 8.333 ppm2 2.054
ASSI { 707}
(( resid 55 and name HN ))
(( resid 54 and name HB2 ))
4.000 2.200 0.000 peak 707 weight 1.00000E+00 volume 5.18769E+08 ppm1 8.335 ppm2 1.855
ASSI { 708}
(( resid 22 and name HN ))
( resid 21 and name HD1#)
5.000 3.200 0.000 peak 708 weight 1.00000E+00 volume 6.18667E+08 ppm1 8.505 ppm2 0.739
ASSI { 711}
(( resid 28 and name HN ))
( resid 28 and name HB# )
2.800 1.000 0.000 peak 711 weight 1.00000E+00 volume 1.38977E+09 ppm1 7.869 ppm2 1.958
ASSI { 713}
(( resid 31 and name HN ))
(( resid 31 and name HA ))
4.000 2.200 0.000 peak 713 weight 1.00000E+00 volume 3.62487E+08 ppm1 8.436 ppm2 4.536
ASSI { 719}
(( resid 38 and name HN ))
(( resid 38 and name HG2 ))
4.000 2.200 0.000 peak 719 weight 1.00000E+00 volume 6.55770E+08 ppm1 8.261 ppm2 2.232
ASSI { 720}
(( resid 42 and name HN ))
( resid 42 and name HB# )
2.800 1.000 0.000 peak 720 weight 1.00000E+00 volume 1.45343E+09 ppm1 8.355 ppm2 2.064
ASSI { 721}
(( resid 38 and name HN ))
( resid 38 and name HB# )
2.800 1.000 0.000 peak 721 weight 1.00000E+00 volume 1.98906E+09 ppm1 8.261 ppm2 1.998
ASSI { 724}
(( resid 42 and name HN ))
( resid 42 and name HG# )
4.000 2.200 0.000 peak 724 weight 1.00000E+00 volume 3.49282E+08 ppm1 8.355 ppm2 2.327
ASSI { 728}
(( resid 50 and name HN ))
(( resid 49 and name HA ))
4.000 2.200 0.000 peak 728 weight 1.00000E+00 volume 1.01649E+09 ppm1 7.701 ppm2 4.304
ASSI { 732}
(( resid 51 and name HN ))
( resid 50 and name HB# )
4.000 2.200 0.000 peak 732 weight 1.00000E+00 volume 3.33335E+08 ppm1 6.917 ppm2 1.764
ASSI { 733}
(( resid 51 and name HN ))
( resid 53 and name HD1#)
5.000 3.200 0.000 peak 733 weight 1.00000E+00 volume 3.70304E+08 ppm1 6.919 ppm2 0.749
ASSI { 734}
(( resid 52 and name HN ))
( resid 53 and name HD1#)
6.000 4.200 0.000 peak 734 weight 1.00000E+00 volume 2.41851E+08 ppm1 7.937 ppm2 0.752
ASSI { 735}
(( resid 54 and name HN ))
( resid 49 and name HG# )
4.000 2.200 0.000 peak 735 weight 1.00000E+00 volume 4.12167E+08 ppm1 8.496 ppm2 2.357
ASSI { 737}
(( resid 54 and name HN ))
( resid 54 and name HG# )
2.800 1.000 0.000 peak 737 weight 1.00000E+00 volume 1.37187E+09 ppm1 8.496 ppm2 2.100
ASSI { 738}
(( resid 54 and name HN ))
( resid 54 and name HB# )
4.000 2.200 0.000 peak 738 weight 1.00000E+00 volume 1.07089E+09 ppm1 8.493 ppm2 1.854
ASSI { 742}
(( resid 58 and name HN ))
( resid 57 and name HG1#)
5.000 3.200 0.000 peak 742 weight 1.00000E+00 volume 6.54288E+08 ppm1 7.903 ppm2 1.073
ASSI { 745}
(( resid 93 and name HN ))
(( resid 93 and name HB1 ))
4.000 2.200 0.000 peak 745 weight 1.00000E+00 volume 2.30287E+09 ppm1 8.519 ppm2 1.889
ASSI { 746}
(( resid 63 and name HN ))
(( resid 63 and name HB2 ))
4.000 2.200 0.000 peak 746 weight 1.00000E+00 volume 2.22855E+09 ppm1 8.024 ppm2 1.884
ASSI { 751}
(( resid 85 and name HN ))
( resid 18 and name HD# )
6.000 4.200 0.000 peak 751 weight 1.00000E+00 volume 2.64496E+08 ppm1 8.055 ppm2 0.613
ASSI { 752}
(( resid 21 and name HN ))
( resid 18 and name HD# )
6.000 4.200 0.000 peak 752 weight 1.00000E+00 volume 2.23989E+08 ppm1 8.480 ppm2 0.614
ASSI { 753}
(( resid 22 and name HN ))
( resid 18 and name HD# )
6.000 4.200 0.000 peak 753 weight 1.00000E+00 volume 2.67701E+08 ppm1 8.507 ppm2 0.621
ASSI { 754}
(( resid 15 and name HN ))
( resid 18 and name HD# )
6.000 4.200 0.000 peak 754 weight 1.00000E+00 volume 1.86930E+08 ppm1 8.517 ppm2 0.618
ASSI { 765}
(( resid 26 and name HN ))
( resid 25 and name HD1#)
6.000 4.200 0.000 peak 765 weight 1.00000E+00 volume 2.28888E+08 ppm1 8.659 ppm2 1.243
ASSI { 770}
(( resid 49 and name HN ))
(( resid 9 and name HD1 ))
5.000 3.200 0.000 peak 770 weight 1.00000E+00 volume 2.17151E+08 ppm1 8.831 ppm2 3.789
ASSI { 773}
(( resid 42 and name HN ))
(( resid 41 and name HA ))
4.000 2.200 0.000 peak 773 weight 1.00000E+00 volume 3.86231E+08 ppm1 8.352 ppm2 4.245
ASSI { 774}
(( resid 38 and name HN ))
(( resid 38 and name HG2 ))
4.000 2.200 0.000 peak 774 weight 1.00000E+00 volume 6.44337E+08 ppm1 8.263 ppm2 2.114
ASSI { 775}
(( resid 36 and name HN ))
( resid 36 and name HD# )
4.000 2.200 0.000 peak 775 weight 1.00000E+00 volume 3.10706E+08 ppm1 7.812 ppm2 1.622
ASSI { 777}
(( resid 34 and name HN ))
(( resid 33 and name HA ))
4.000 2.200 0.000 peak 777 weight 1.00000E+00 volume 5.11689E+08 ppm1 8.184 ppm2 4.711
ASSI { 778}
(( resid 15 and name HN ))
(( resid 14 and name HA ))
4.000 2.200 0.000 peak 778 weight 1.00000E+00 volume 5.07085E+08 ppm1 8.520 ppm2 4.883
ASSI { 782}
(( resid 15 and name HN ))
(( resid 14 and name HB1 ))
4.000 2.200 0.000 peak 782 weight 1.00000E+00 volume 3.33993E+08 ppm1 8.516 ppm2 3.178
ASSI { 783}
(( resid 15 and name HN ))
(( resid 14 and name HB2 ))
4.000 2.200 0.000 peak 783 weight 1.00000E+00 volume 2.74825E+08 ppm1 8.518 ppm2 3.214
ASSI { 787}
(( resid 51 and name HN ))
(( resid 51 and name HA ))
4.000 2.200 0.000 peak 787 weight 1.00000E+00 volume 9.40103E+08 ppm1 6.918 ppm2 4.767
ASSI { 788}
(( resid 12 and name HN ))
(( resid 11 and name HG2 ))
5.000 3.200 0.000 peak 788 weight 1.00000E+00 volume 2.54700E+08 ppm1 8.359 ppm2 2.206
ASSI { 791}
(( resid 12 and name HN ))
(( resid 11 and name HB1 ))
4.000 2.200 0.000 peak 791 weight 1.00000E+00 volume 4.61454E+08 ppm1 8.356 ppm2 2.030
ASSI { 792}
(( resid 28 and name HN ))
( resid 28 and name HG# )
4.000 2.200 0.000 peak 792 weight 1.00000E+00 volume 1.16067E+09 ppm1 7.869 ppm2 2.099
ASSI { 808}
(( resid 81 and name HN ))
( resid 53 and name HD2#)
5.000 3.200 0.000 peak 808 weight 1.00000E+00 volume 6.00167E+08 ppm1 7.758 ppm2 0.874
ASSI { 812}
(( resid 58 and name HN ))
( resid 58 and name HE# )
5.000 3.200 0.000 peak 812 weight 1.00000E+00 volume 2.02127E+08 ppm1 7.905 ppm2 2.814
ASSI { 816}
(( resid 56 and name HN ))
( resid 55 and name HG# )
5.000 3.200 0.000 peak 816 weight 1.00000E+00 volume 1.98504E+08 ppm1 8.374 ppm2 2.432
ASSI { 821}
(( resid 32 and name HN ))
(( resid 31 and name HA ))
5.000 3.200 0.000 peak 821 weight 1.00000E+00 volume 1.83130E+08 ppm1 8.298 ppm2 4.536
ASSI { 823}
(( resid 35 and name HN ))
(( resid 36 and name HN ))
2.800 1.000 0.000 peak 823 weight 1.00000E+00 volume 1.54800E+09 ppm1 7.905 ppm2 7.810
ASSI { 825}
(( resid 37 and name HN ))
(( resid 37 and name HA ))
2.800 1.000 0.000 peak 825 weight 1.00000E+00 volume 2.28644E+09 ppm1 8.007 ppm2 4.171
ASSI { 827}
(( resid 24 and name HN ))
(( resid 23 and name HG2 ))
5.000 3.200 0.000 peak 827 weight 1.00000E+00 volume 2.72076E+08 ppm1 8.011 ppm2 2.504
ASSI { 828}
(( resid 24 and name HN ))
(( resid 23 and name HG1 ))
4.000 2.200 0.000 peak 828 weight 1.00000E+00 volume 4.34041E+08 ppm1 8.008 ppm2 2.396
ASSI { 830}
(( resid 17 and name HN ))
(( resid 14 and name HA ))
4.000 2.200 0.000 peak 830 weight 1.00000E+00 volume 3.65258E+08 ppm1 7.752 ppm2 4.885
ASSI { 836}
(( resid 42 and name HN ))
(( resid 39 and name HA ))
4.000 2.200 0.000 peak 836 weight 1.00000E+00 volume 2.83399E+08 ppm1 8.353 ppm2 4.434
ASSI { 838}
(( resid 86 and name HN ))
(( resid 85 and name HA ))
4.000 2.200 0.000 peak 838 weight 1.00000E+00 volume 8.20639E+08 ppm1 8.481 ppm2 3.636
ASSI { 839}
(( resid 73 and name HN ))
(( resid 73 and name HA ))
4.000 2.200 0.000 peak 839 weight 1.00000E+00 volume 3.94422E+08 ppm1 8.304 ppm2 4.665
ASSI { 840}
(( resid 64 and name HN ))
(( resid 61 and name HA ))
5.000 3.200 0.000 peak 840 weight 1.00000E+00 volume 2.51454E+08 ppm1 8.279 ppm2 3.985
ASSI { 841}
(( resid 61 and name HN ))
(( resid 58 and name HA ))
4.000 2.200 0.000 peak 841 weight 1.00000E+00 volume 3.10590E+08 ppm1 7.985 ppm2 3.610
ASSI { 847}
(( resid 45 and name HN ))
(( resid 44 and name HA ))
4.000 2.200 0.000 peak 847 weight 1.00000E+00 volume 8.36398E+08 ppm1 8.093 ppm2 4.480
ASSI { 849}
(( resid 45 and name HN ))
(( resid 42 and name HA ))
4.000 2.200 0.000 peak 849 weight 1.00000E+00 volume 4.26585E+08 ppm1 8.092 ppm2 4.019
ASSI { 854}
(( resid 34 and name HN ))
(( resid 31 and name HA ))
4.000 2.200 0.000 peak 854 weight 1.00000E+00 volume 3.77491E+08 ppm1 8.181 ppm2 4.543
ASSI { 856}
(( resid 27 and name HN ))
(( resid 25 and name HA ))
5.000 3.200 0.000 peak 856 weight 1.00000E+00 volume 2.03495E+08 ppm1 7.536 ppm2 3.765
ASSI { 857}
(( resid 27 and name HN ))
(( resid 28 and name HA ))
5.000 3.200 0.000 peak 857 weight 1.00000E+00 volume 1.54207E+08 ppm1 7.531 ppm2 3.855
ASSI { 858}
(( resid 25 and name HN ))
(( resid 22 and name HA ))
4.000 2.200 0.000 peak 858 weight 1.00000E+00 volume 4.91540E+08 ppm1 8.113 ppm2 3.627
ASSI { 861}
(( resid 19 and name HN ))
( resid 15 and name HB# )
4.000 2.200 0.000 peak 861 weight 1.00000E+00 volume 5.08685E+08 ppm1 8.119 ppm2 3.954
ASSI { 862}
(( resid 18 and name HN ))
( resid 15 and name HB# )
5.000 2.200 0.000 peak 862 weight 1.00000E+00 volume 5.65958E+08 ppm1 8.185 ppm2 3.956
ASSI { 863}
(( resid 18 and name HN ))
(( resid 14 and name HA ))
5.000 3.200 0.000 peak 863 weight 1.00000E+00 volume 2.60324E+08 ppm1 8.193 ppm2 4.877
ASSI { 865}
(( resid 16 and name HN ))
(( resid 14 and name HA ))
5.000 3.200 0.000 peak 865 weight 1.00000E+00 volume 2.23820E+08 ppm1 7.944 ppm2 4.871
ASSI { 870}
(( resid 107 and name HN ))
(( resid 104 and name HA ))
4.000 2.200 0.000 peak 870 weight 1.00000E+00 volume 4.96660E+08 ppm1 8.470 ppm2 4.610
ASSI { 871}
(( resid 85 and name HN ))
(( resid 81 and name HA ))
4.000 2.200 0.000 peak 871 weight 1.00000E+00 volume 4.77165E+08 ppm1 8.052 ppm2 4.221
ASSI { 872}
(( resid 82 and name HN ))
(( resid 78 and name HA ))
4.000 2.200 0.000 peak 872 weight 1.00000E+00 volume 2.87031E+08 ppm1 8.582 ppm2 3.478
ASSI { 877}
(( resid 74 and name HN ))
(( resid 70 and name HA ))
5.000 3.200 0.000 peak 877 weight 1.00000E+00 volume 1.38229E+08 ppm1 7.594 ppm2 4.350
ASSI { 878}
(( resid 83 and name HN ))
(( resid 85 and name HN ))
4.000 2.200 0.000 peak 878 weight 1.00000E+00 volume 2.74029E+08 ppm1 8.657 ppm2 8.058
ASSI { 897}
(( resid 58 and name HN ))
( resid 41 and name HD# )
5.000 3.200 0.000 peak 897 weight 1.00000E+00 volume 4.11863E+08 ppm1 7.902 ppm2 7.078
ASSI { 898}
(( resid 88 and name HN ))
(( resid 86 and name HN ))
5.000 3.200 0.000 peak 898 weight 1.00000E+00 volume 1.93272E+08 ppm1 7.859 ppm2 8.477
ASSI { 904}
(( resid 86 and name HN ))
(( resid 84 and name HN ))
5.000 3.200 0.000 peak 904 weight 1.00000E+00 volume 2.48942E+08 ppm1 8.478 ppm2 7.490
ASSI { 907}
(( resid 85 and name HN ))
(( resid 87 and name HN ))
4.000 2.200 0.000 peak 907 weight 1.00000E+00 volume 3.66974E+08 ppm1 8.050 ppm2 7.692
ASSI { 911}
(( resid 82 and name HN ))
(( resid 84 and name HN ))
5.000 3.200 0.000 peak 911 weight 1.00000E+00 volume 1.96933E+08 ppm1 8.581 ppm2 7.498
ASSI { 919}
(( resid 79 and name HN ))
(( resid 77 and name HN ))
4.000 2.200 0.000 peak 919 weight 1.00000E+00 volume 3.24971E+08 ppm1 8.630 ppm2 8.108
ASSI { 920}
(( resid 79 and name HN ))
(( resid 81 and name HN ))
5.000 3.200 0.000 peak 920 weight 1.00000E+00 volume 2.64440E+08 ppm1 8.626 ppm2 7.755
ASSI { 922}
(( resid 78 and name HN ))
(( resid 80 and name HN ))
5.000 3.200 0.000 peak 922 weight 1.00000E+00 volume 2.69158E+08 ppm1 8.540 ppm2 8.293
ASSI { 933}
(( resid 74 and name HN ))
(( resid 76 and name HN ))
4.000 2.200 0.000 peak 933 weight 1.00000E+00 volume 1.18761E+08 ppm1 7.595 ppm2 7.997
ASSI { 936}
(( resid 73 and name HN ))
(( resid 74 and name HN ))
5.000 3.200 0.000 peak 936 weight 1.00000E+00 volume 1.41779E+08 ppm1 8.307 ppm2 7.598
ASSI { 946}
(( resid 78 and name HN ))
(( resid 76 and name HN ))
4.000 2.200 0.000 peak 946 weight 1.00000E+00 volume 1.82002E+08 ppm1 8.541 ppm2 8.010
ASSI { 953}
(( resid 83 and name HN ))
(( resid 81 and name HN ))
4.000 2.200 0.000 peak 953 weight 1.00000E+00 volume 2.23189E+08 ppm1 8.661 ppm2 7.765
ASSI { 954}
(( resid 83 and name HN ))
(( resid 82 and name HN ))
2.800 1.000 0.000 peak 954 weight 1.00000E+00 volume 1.83880E+09 ppm1 8.658 ppm2 8.570
ASSI { 961}
(( resid 75 and name HN ))
(( resid 77 and name HN ))
5.000 3.200 0.000 peak 961 weight 1.00000E+00 volume 2.22416E+08 ppm1 8.644 ppm2 8.111
ASSI { 964}
(( resid 64 and name HN ))
(( resid 62 and name HN ))
5.000 3.200 0.000 peak 964 weight 1.00000E+00 volume 1.19726E+08 ppm1 8.277 ppm2 7.709
ASSI { 966}
(( resid 61 and name HN ))
(( resid 59 and name HN ))
4.000 2.200 0.000 peak 966 weight 1.00000E+00 volume 2.06461E+08 ppm1 7.990 ppm2 7.411
ASSI { 973}
(( resid 58 and name HN ))
(( resid 56 and name HN ))
4.000 2.200 0.000 peak 973 weight 1.00000E+00 volume 3.60334E+08 ppm1 7.903 ppm2 8.363
ASSI { 980}
(( resid 56 and name HN ))
(( resid 54 and name HN ))
4.000 2.200 0.000 peak 980 weight 1.00000E+00 volume 8.50058E+08 ppm1 8.379 ppm2 8.477
ASSI { 982}
(( resid 54 and name HN ))
(( resid 52 and name HN ))
4.000 2.200 0.000 peak 982 weight 1.00000E+00 volume 1.34514E+08 ppm1 8.495 ppm2 7.937
ASSI { 988}
(( resid 53 and name HN ))
(( resid 51 and name HN ))
4.000 2.200 0.000 peak 988 weight 1.00000E+00 volume 6.68917E+08 ppm1 8.123 ppm2 6.935
ASSI { 997}
(( resid 49 and name HN ))
(( resid 47 and name HN ))
5.000 3.200 0.000 peak 997 weight 1.00000E+00 volume 1.75449E+08 ppm1 8.834 ppm2 8.127
ASSI { 998}
(( resid 49 and name HN ))
(( resid 51 and name HN ))
5.000 3.200 0.000 peak 998 weight 1.00000E+00 volume 1.17459E+08 ppm1 8.838 ppm2 6.939
ASSI { 1007}
(( resid 42 and name HN ))
( resid 41 and name HD# )
6.000 4.200 0.000 peak 1007 weight 1.00000E+00 volume 1.48261E+08 ppm1 8.350 ppm2 7.054
ASSI { 1008}
(( resid 42 and name HN ))
(( resid 41 and name HN ))
4.000 2.200 0.000 peak 1008 weight 1.00000E+00 volume 5.86615E+08 ppm1 8.350 ppm2 8.508
ASSI { 1012}
(( resid 24 and name HN ))
(( resid 25 and name HN ))
2.500 0.700 0.000 peak 1012 weight 1.00000E+00 volume 3.77131E+09 ppm1 8.008 ppm2 8.097
ASSI { 1016}
(( resid 35 and name HN ))
(( resid 37 and name HN ))
4.000 2.200 0.000 peak 1016 weight 1.00000E+00 volume 9.62008E+08 ppm1 7.904 ppm2 8.007
ASSI { 1017}
(( resid 32 and name HN ))
(( resid 31 and name HN ))
5.000 3.200 0.000 peak 1017 weight 1.00000E+00 volume 1.43901E+08 ppm1 8.306 ppm2 8.441
ASSI { 1027}
(( resid 25 and name HN ))
(( resid 27 and name HN ))
5.000 3.200 0.000 peak 1027 weight 1.00000E+00 volume 2.04505E+08 ppm1 8.115 ppm2 7.530
ASSI { 1030}
(( resid 24 and name HN ))
(( resid 26 and name HN ))
4.000 2.200 0.000 peak 1030 weight 1.00000E+00 volume 3.31367E+08 ppm1 8.008 ppm2 8.673
ASSI { 1031}
(( resid 24 and name HN ))
(( resid 22 and name HN ))
4.000 2.200 0.000 peak 1031 weight 1.00000E+00 volume 3.28066E+08 ppm1 8.009 ppm2 8.502
ASSI { 1034}
(( resid 22 and name HN ))
(( resid 20 and name HN ))
4.000 2.200 0.000 peak 1034 weight 1.00000E+00 volume 3.22808E+08 ppm1 8.511 ppm2 8.210
ASSI { 1035}
(( resid 21 and name HN ))
(( resid 19 and name HN ))
5.000 3.200 0.000 peak 1035 weight 1.00000E+00 volume 7.12220E+08 ppm1 8.484 ppm2 8.107
ASSI { 1039}
(( resid 20 and name HN ))
(( resid 19 and name HN ))
3.500 1.000 0.000 peak 1039 weight 1.00000E+00 volume 2.34176E+09 ppm1 8.216 ppm2 8.111
ASSI { 1042}
(( resid 19 and name HN ))
(( resid 17 and name HN ))
4.000 2.200 0.000 peak 1042 weight 1.00000E+00 volume 2.88583E+08 ppm1 8.117 ppm2 7.742
ASSI { 1047}
(( resid 16 and name HN ))
(( resid 18 and name HN ))
4.000 2.200 0.000 peak 1047 weight 1.00000E+00 volume 4.90626E+08 ppm1 7.942 ppm2 8.182
ASSI { 1048}
(( resid 15 and name HN ))
(( resid 17 and name HN ))
5.000 3.200 0.000 peak 1048 weight 1.00000E+00 volume 1.28802E+08 ppm1 8.521 ppm2 7.752
! ASSI { 1054}
! (( resid 56 and name HN ))
! ( resid 54 and name HB# )
!
! 4.000 2.200 0.000 peak 1054 weight 1.00000E+00 volume 2.83472E+08 ppm1 8.372 ppm2 1.847
ASSI { 1055}
(( resid 41 and name HN ))
(( resid 41 and name HA ))
4.000 2.200 0.000 peak 1055 weight 1.00000E+00 volume 3.30410E+08 ppm1 8.519 ppm2 4.278
ASSI { 1062}
(( resid 60 and name HN ))
( resid 57 and name HG1#)
6.000 4.200 0.000 peak 1062 weight 1.00000E+00 volume 1.97686E+08 ppm1 7.724 ppm2 1.076
ASSI { 1064}
(( resid 7 and name HN ))
(( resid 5 and name HA ))
4.000 2.200 0.000 peak 1064 weight 1.00000E+00 volume 2.97807E+08 ppm1 8.296 ppm2 4.435
ASSI { 1065}
(( resid 7 and name HN ))
(( resid 6 and name HA ))
5.000 3.200 0.000 peak 1065 weight 1.00000E+00 volume 2.16945E+08 ppm1 8.302 ppm2 4.334
ASSI { 1068}
(( resid 12 and name HN ))
(( resid 11 and name HB2 ))
5.000 3.200 0.000 peak 1068 weight 1.00000E+00 volume 1.73183E+08 ppm1 8.354 ppm2 1.920
ASSI { 1070}
(( resid 98 and name HN ))
(( resid 96 and name HA ))
4.000 2.200 0.000 peak 1070 weight 1.00000E+00 volume 2.82221E+08 ppm1 7.982 ppm2 3.977
ASSI { 1072}
(( resid 98 and name HN ))
( resid 95 and name HB# )
5.000 3.200 0.000 peak 1072 weight 1.00000E+00 volume 2.53939E+08 ppm1 7.980 ppm2 2.659
ASSI { 1073}
(( resid 97 and name HN ))
(( resid 95 and name HB1 ))
5.000 3.200 0.000 peak 1073 weight 1.00000E+00 volume 2.19381E+08 ppm1 8.420 ppm2 2.661
ASSI { 1074}
(( resid 96 and name HN ))
(( resid 95 and name HB1 ))
4.000 2.200 0.000 peak 1074 weight 1.00000E+00 volume 3.86127E+08 ppm1 8.243 ppm2 2.658
ASSI { 1075}
(( resid 96 and name HN ))
(( resid 95 and name HB2 ))
4.000 2.200 0.000 peak 1075 weight 1.00000E+00 volume 3.35800E+08 ppm1 8.241 ppm2 2.588
ASSI { 1081}
(( resid 27 and name HN ))
(( resid 30 and name HD1 ))
5.000 3.200 0.000 peak 1081 weight 1.00000E+00 volume 1.13943E+08 ppm1 7.533 ppm2 3.598
ASSI { 1084}
(( resid 26 and name HN ))
(( resid 25 and name HG ))
4.000 2.200 0.000 peak 1084 weight 1.00000E+00 volume 3.55234E+08 ppm1 8.657 ppm2 1.723
ASSI { 1085}
(( resid 74 and name HN ))
(( resid 71 and name HD2 ))
5.000 3.200 0.000 peak 1085 weight 1.00000E+00 volume 1.79441E+08 ppm1 7.598 ppm2 3.615
ASSI { 1087}
(( resid 59 and name HN ))
(( resid 58 and name HG2 ))
5.000 3.200 0.000 peak 1087 weight 1.00000E+00 volume 2.33270E+08 ppm1 7.422 ppm2 1.228
ASSI { 1088}
(( resid 73 and name HN ))
(( resid 71 and name HA ))
4.000 2.200 0.000 peak 1088 weight 1.00000E+00 volume 3.06638E+08 ppm1 8.307 ppm2 4.423
ASSI { 1091}
(( resid 70 and name HN ))
( resid 63 and name HG# )
4.000 2.200 0.000 peak 1091 weight 1.00000E+00 volume 2.93135E+08 ppm1 8.191 ppm2 1.651
ASSI { 1094}
(( resid 69 and name HN ))
(( resid 67 and name HA ))
4.000 2.200 0.000 peak 1094 weight 1.00000E+00 volume 4.08741E+08 ppm1 8.285 ppm2 4.350
ASSI { 1095}
(( resid 69 and name HN ))
( resid 67 and name HG# )
5.000 3.200 0.000 peak 1095 weight 1.00000E+00 volume 1.68949E+08 ppm1 8.292 ppm2 2.333
ASSI { 1096}
(( resid 68 and name HN ))
(( resid 63 and name HA ))
4.000 2.200 0.000 peak 1096 weight 1.00000E+00 volume 3.23936E+08 ppm1 8.339 ppm2 4.259
ASSI { 1098}
(( resid 67 and name HN ))
(( resid 66 and name HA1 ))
4.000 2.200 0.000 peak 1098 weight 1.00000E+00 volume 3.81074E+08 ppm1 8.135 ppm2 3.925
ASSI { 1100}
(( resid 64 and name HN ))
( resid 63 and name HD# )
5.000 3.200 0.000 peak 1100 weight 1.00000E+00 volume 1.46378E+08 ppm1 8.279 ppm2 3.194
ASSI { 1110}
(( resid 48 and name HN ))
(( resid 50 and name HN ))
5.000 3.200 0.000 peak 1110 weight 1.00000E+00 volume 2.32663E+08 ppm1 7.955 ppm2 7.712
ASSI { 1112}
(( resid 34 and name HN ))
(( resid 64 and name HN ))
4.000 2.200 0.000 peak 1112 weight 1.00000E+00 volume 5.63940E+08 ppm1 8.187 ppm2 8.277
ASSI { 1120}
(( resid 98 and name HN ))
( resid 96 and name HG# )
6.000 4.200 0.000 peak 1120 weight 1.00000E+00 volume 2.12646E+08 ppm1 7.982 ppm2 0.932
ASSI { 1121}
(( resid 95 and name HN ))
(( resid 95 and name HA ))
4.000 2.200 0.000 peak 1121 weight 1.00000E+00 volume 6.52695E+08 ppm1 8.487 ppm2 4.615
ASSI { 1122}
(( resid 95 and name HN ))
(( resid 95 and name HB1 ))
5.000 3.200 0.000 peak 1122 weight 1.00000E+00 volume 2.28710E+08 ppm1 8.487 ppm2 2.659
ASSI { 1123}
(( resid 95 and name HN ))
(( resid 95 and name HB2 ))
4.000 2.200 0.000 peak 1123 weight 1.00000E+00 volume 3.10984E+08 ppm1 8.485 ppm2 2.585
ASSI { 29}
(( resid 98 and name HA ))
( resid 98 and name HB# )
2.800 1.000 0.000 peak 29 weight 1.00000E+00 volume 9.03937E+09 ppm1 4.278 ppm2 1.359
ASSI { 37}
(( resid 96 and name HA ))
(( resid 96 and name HB ))
4.000 2.200 0.000 peak 37 weight 1.00000E+00 volume 2.35870E+09 ppm1 3.970 ppm2 2.043
ASSI { 38}
(( resid 96 and name HA ))
( resid 96 and name HG1#)
4.000 2.200 0.000 peak 38 weight 1.00000E+00 volume 4.24422E+09 ppm1 3.970 ppm2 0.930
ASSI { 46}
(( resid 108 and name HA ))
(( resid 108 and name HB2 ))
2.800 1.000 0.000 peak 46 weight 1.00000E+00 volume 1.06753E+09 ppm1 4.258 ppm2 3.848
ASSI { 54}
(( resid 70 and name HA ))
(( resid 70 and name HB ))
5.000 3.200 0.000 peak 54 weight 1.00000E+00 volume 4.33913E+08 ppm1 4.363 ppm2 2.068
ASSI { 58}
(( resid 107 and name HA ))
( resid 107 and name HG# )
6.000 4.200 0.000 peak 58 weight 1.00000E+00 volume 6.15642E+07 ppm1 4.344 ppm2 2.269
ASSI { 59}
(( resid 107 and name HA ))
(( resid 107 and name HB1 ))
5.000 3.200 0.000 peak 59 weight 1.00000E+00 volume 5.33971E+08 ppm1 4.346 ppm2 2.099
ASSI { 60}
(( resid 106 and name HA ))
(( resid 106 and name HB2 ))
4.000 2.200 0.000 peak 60 weight 1.00000E+00 volume 1.04340E+09 ppm1 4.322 ppm2 2.110
ASSI { 61}
(( resid 106 and name HA ))
(( resid 106 and name HB1 ))
4.000 2.200 0.000 peak 61 weight 1.00000E+00 volume 2.48937E+09 ppm1 4.322 ppm2 1.986
ASSI { 63}
(( resid 93 and name HA ))
( resid 93 and name HG# )
4.000 2.200 0.000 peak 63 weight 1.00000E+00 volume 1.66526E+09 ppm1 4.167 ppm2 2.228
ASSI { 69}
(( resid 93 and name HG2 ))
(( resid 93 and name HB2 ))
2.500 0.700 0.000 peak 69 weight 1.00000E+00 volume 1.72091E+10 ppm1 2.206 ppm2 2.029
ASSI { 70}
(( resid 106 and name HG2 ))
(( resid 106 and name HB2 ))
2.500 0.700 0.000 peak 70 weight 1.00000E+00 volume 1.16840E+10 ppm1 2.386 ppm2 2.109
ASSI { 71}
(( resid 106 and name HG2 ))
(( resid 106 and name HB1 ))
2.800 1.000 0.000 peak 71 weight 1.00000E+00 volume 6.29035E+09 ppm1 2.387 ppm2 1.990
ASSI { 72}
(( resid 105 and name HA ))
( resid 105 and name HB# )
2.800 1.000 0.000 peak 72 weight 1.00000E+00 volume 4.81490E+09 ppm1 4.387 ppm2 2.269
ASSI { 74}
(( resid 105 and name HA ))
( resid 100 and name HG# )
4.000 2.200 0.000 peak 74 weight 1.00000E+00 volume 2.60903E+09 ppm1 4.386 ppm2 1.960
ASSI { 77}
(( resid 105 and name HA ))
(( resid 105 and name HG2 ))
2.800 1.000 0.000 peak 77 weight 1.00000E+00 volume 3.32895E+09 ppm1 4.397 ppm2 1.903
ASSI { 80}
(( resid 105 and name HA ))
(( resid 105 and name HG1 ))
5.000 3.200 0.000 peak 80 weight 1.00000E+00 volume 2.44435E+08 ppm1 4.391 ppm2 1.999
ASSI { 95}
( resid 105 and name HB# )
(( resid 105 and name HG1 ))
2.500 0.700 0.000 peak 95 weight 1.00000E+00 volume 7.92596E+09 ppm1 2.288 ppm2 2.014
ASSI { 101}
(( resid 96 and name HB ))
( resid 96 and name HG# )
4.000 2.200 0.000 peak 101 weight 1.00000E+00 volume 8.09811E+09 ppm1 2.045 ppm2 0.932
ASSI { 117}
(( resid 90 and name HA ))
(( resid 90 and name HB1 ))
4.000 2.200 0.000 peak 117 weight 1.00000E+00 volume 1.47879E+09 ppm1 4.407 ppm2 3.791
ASSI { 122}
(( resid 89 and name HA ))
(( resid 89 and name HG2 ))
5.000 3.200 0.000 peak 122 weight 1.00000E+00 volume 5.45226E+08 ppm1 4.401 ppm2 2.358
ASSI { 125}
(( resid 89 and name HA ))
(( resid 89 and name HG1 ))
4.000 2.200 0.000 peak 125 weight 1.00000E+00 volume 7.13676E+08 ppm1 4.403 ppm2 2.266
ASSI { 132}
(( resid 87 and name HB1 ))
(( resid 87 and name HB2 ))
4.000 2.200 0.000 peak 132 weight 1.00000E+00 volume 6.78258E+08 ppm1 4.093 ppm2 3.989
ASSI { 133}
(( resid 86 and name HB1 ))
(( resid 86 and name HG2 ))
4.000 2.200 0.000 peak 133 weight 1.00000E+00 volume 2.61642E+09 ppm1 1.824 ppm2 1.656
ASSI { 135}
(( resid 86 and name HA ))
(( resid 86 and name HB1 ))
2.800 1.000 0.000 peak 135 weight 1.00000E+00 volume 4.38236E+09 ppm1 4.028 ppm2 1.824
ASSI { 149}
(( resid 85 and name HB ))
(( resid 85 and name HG12))
5.000 3.200 0.000 peak 149 weight 1.00000E+00 volume 2.83936E+08 ppm1 1.604 ppm2 0.754
ASSI { 158}
(( resid 84 and name HB2 ))
( resid 84 and name HD1#)
5.000 3.200 0.000 peak 158 weight 1.00000E+00 volume 1.05830E+09 ppm1 2.023 ppm2 0.976
ASSI { 159}
(( resid 84 and name HB2 ))
( resid 84 and name HD2#)
5.000 3.200 0.000 peak 159 weight 1.00000E+00 volume 1.15185E+09 ppm1 2.027 ppm2 0.851
ASSI { 160}
(( resid 84 and name HB1 ))
(( resid 84 and name HG ))
4.000 2.200 0.000 peak 160 weight 1.00000E+00 volume 6.43433E+08 ppm1 1.848 ppm2 1.508
ASSI { 174}
(( resid 78 and name HB ))
( resid 78 and name HG2#)
5.000 3.200 0.000 peak 174 weight 1.00000E+00 volume 1.89981E+09 ppm1 2.074 ppm2 0.955
ASSI { 177}
(( resid 78 and name HB ))
( resid 78 and name HG1#)
5.000 3.200 0.000 peak 177 weight 1.00000E+00 volume 1.43191E+09 ppm1 2.078 ppm2 0.772
ASSI { 187}
(( resid 75 and name HA ))
(( resid 75 and name HG1 ))
4.000 2.200 0.000 peak 187 weight 1.00000E+00 volume 9.99362E+08 ppm1 3.673 ppm2 1.409
ASSI { 190}
(( resid 75 and name HB2 ))
(( resid 75 and name HG1 ))
5.000 3.200 0.000 peak 190 weight 1.00000E+00 volume 5.97286E+08 ppm1 1.749 ppm2 1.401
ASSI { 198}
(( resid 67 and name HA ))
(( resid 67 and name HB2 ))
4.000 2.200 0.000 peak 198 weight 1.00000E+00 volume 1.42293E+09 ppm1 4.355 ppm2 2.138
ASSI { 200}
(( resid 67 and name HA ))
(( resid 67 and name HB1 ))
4.000 2.200 0.000 peak 200 weight 1.00000E+00 volume 1.11904E+09 ppm1 4.355 ppm2 1.992
ASSI { 201}
( resid 67 and name HG# )
(( resid 67 and name HB2 ))
2.500 0.700 0.000 peak 201 weight 1.00000E+00 volume 3.37653E+09 ppm1 2.334 ppm2 2.142
ASSI { 202}
( resid 67 and name HG# )
(( resid 67 and name HB1 ))
4.000 2.200 0.000 peak 202 weight 1.00000E+00 volume 2.55631E+09 ppm1 2.335 ppm2 1.989
ASSI { 206}
(( resid 67 and name HG1 ))
(( resid 67 and name HB1 ))
2.800 1.000 0.000 peak 206 weight 1.00000E+00 volume 2.95467E+09 ppm1 2.336 ppm2 1.985
ASSI { 207}
(( resid 66 and name HA2 ))
(( resid 66 and name HA1 ))
5.000 3.200 0.000 peak 207 weight 1.00000E+00 volume 2.55896E+08 ppm1 4.038 ppm2 3.909
ASSI { 217}
(( resid 63 and name HD2 ))
( resid 63 and name HG# )
2.800 1.000 0.000 peak 217 weight 1.00000E+00 volume 3.68763E+09 ppm1 3.201 ppm2 1.652
ASSI { 221}
(( resid 63 and name HB2 ))
( resid 63 and name HG# )
4.000 2.200 0.000 peak 221 weight 1.00000E+00 volume 1.35665E+09 ppm1 1.896 ppm2 1.661
ASSI { 222}
(( resid 63 and name HB1 ))
( resid 63 and name HG# )
2.800 1.000 0.000 peak 222 weight 1.00000E+00 volume 3.02078E+09 ppm1 1.822 ppm2 1.652
ASSI { 236}
(( resid 62 and name HA ))
( resid 62 and name HG# )
4.000 2.200 0.000 peak 236 weight 1.00000E+00 volume 1.03429E+09 ppm1 4.272 ppm2 1.390
ASSI { 237}
(( resid 62 and name HA ))
( resid 62 and name HD# )
4.000 2.200 0.000 peak 237 weight 1.00000E+00 volume 7.73354E+08 ppm1 4.272 ppm2 1.446
ASSI { 240}
(( resid 62 and name HE2 ))
(( resid 62 and name HB1 ))
2.500 0.700 0.000 peak 240 weight 1.00000E+00 volume 8.83821E+09 ppm1 2.928 ppm2 1.635
ASSI { 242}
(( resid 62 and name HE2 ))
( resid 62 and name HG# )
2.800 1.000 0.000 peak 242 weight 1.00000E+00 volume 4.14647E+09 ppm1 2.933 ppm2 1.416
ASSI { 247}
(( resid 62 and name HB2 ))
( resid 62 and name HG# )
4.000 2.200 0.000 peak 247 weight 1.00000E+00 volume 1.03329E+09 ppm1 1.814 ppm2 1.390
ASSI { 248}
(( resid 62 and name HB2 ))
( resid 62 and name HD# )
4.000 2.200 0.000 peak 248 weight 1.00000E+00 volume 9.15530E+08 ppm1 1.814 ppm2 1.446
ASSI { 249}
(( resid 61 and name HA ))
( resid 61 and name HG# )
4.000 2.200 0.000 peak 249 weight 1.00000E+00 volume 2.24471E+09 ppm1 3.991 ppm2 0.805
ASSI { 250}
(( resid 61 and name HA ))
(( resid 61 and name HB ))
4.000 2.200 0.000 peak 250 weight 1.00000E+00 volume 1.35035E+09 ppm1 3.988 ppm2 2.098
ASSI { 252}
(( resid 61 and name HB ))
( resid 61 and name HG# )
4.000 2.200 0.000 peak 252 weight 1.00000E+00 volume 2.93490E+09 ppm1 2.094 ppm2 0.789
ASSI { 257}
(( resid 55 and name HA ))
( resid 55 and name HB# )
2.800 1.000 0.000 peak 257 weight 1.00000E+00 volume 3.42949E+09 ppm1 4.000 ppm2 2.053
ASSI { 258}
(( resid 55 and name HA ))
( resid 55 and name HG# )
4.000 2.200 0.000 peak 258 weight 1.00000E+00 volume 8.76690E+08 ppm1 3.997 ppm2 2.424
ASSI { 259}
(( resid 54 and name HA ))
( resid 54 and name HG# )
2.800 1.000 0.000 peak 259 weight 1.00000E+00 volume 1.19739E+09 ppm1 3.768 ppm2 2.119
ASSI { 260}
(( resid 54 and name HA ))
( resid 54 and name HB# )
2.800 1.000 0.000 peak 260 weight 1.00000E+00 volume 9.99614E+08 ppm1 3.767 ppm2 1.853
ASSI { 266}
( resid 53 and name HB# )
( resid 57 and name HG1#)
6.000 4.200 0.000 peak 266 weight 1.00000E+00 volume 3.48736E+08 ppm1 1.685 ppm2 1.073
ASSI { 267}
( resid 53 and name HB# )
( resid 53 and name HD2#)
6.000 4.200 0.000 peak 267 weight 1.00000E+00 volume 5.75852E+08 ppm1 1.680 ppm2 0.872
ASSI { 268}
(( resid 53 and name HB1 ))
( resid 53 and name HD1#)
5.000 3.200 0.000 peak 268 weight 1.00000E+00 volume 8.03510E+08 ppm1 1.684 ppm2 0.760
ASSI { 275}
( resid 50 and name HE# )
( resid 50 and name HD# )
6.000 4.200 0.000 peak 275 weight 1.00000E+00 volume 7.17742E+07 ppm1 2.947 ppm2 1.635
ASSI { 276}
( resid 50 and name HB# )
( resid 50 and name HD# )
2.800 1.000 0.000 peak 276 weight 1.00000E+00 volume 5.38917E+09 ppm1 1.768 ppm2 1.630
ASSI { 282}
(( resid 49 and name HG1 ))
( resid 49 and name HB# )
2.800 1.000 0.000 peak 282 weight 1.00000E+00 volume 5.53041E+09 ppm1 2.361 ppm2 2.079
ASSI { 296}
(( resid 47 and name HB1 ))
( resid 18 and name HD# )
6.000 4.200 0.000 peak 296 weight 1.00000E+00 volume 2.84575E+08 ppm1 3.171 ppm2 0.623
ASSI { 306}
(( resid 44 and name HA ))
( resid 44 and name HB# )
4.000 2.200 0.000 peak 306 weight 1.00000E+00 volume 9.84926E+08 ppm1 4.485 ppm2 3.813
ASSI { 307}
(( resid 43 and name HA ))
(( resid 43 and name HG2 ))
4.000 2.200 0.000 peak 307 weight 1.00000E+00 volume 1.56583E+09 ppm1 4.210 ppm2 2.255
ASSI { 308}
(( resid 43 and name HA ))
(( resid 43 and name HB1 ))
2.800 1.000 0.000 peak 308 weight 1.00000E+00 volume 1.97228E+09 ppm1 4.204 ppm2 2.074
ASSI { 310}
(( resid 43 and name HA ))
(( resid 43 and name HB2 ))
2.800 1.000 0.000 peak 310 weight 1.00000E+00 volume 1.62994E+09 ppm1 4.199 ppm2 1.995
ASSI { 311}
( resid 43 and name HG# )
(( resid 43 and name HB2 ))
2.500 0.700 0.000 peak 311 weight 1.00000E+00 volume 8.25714E+09 ppm1 2.256 ppm2 1.995
ASSI { 312}
(( resid 43 and name HG2 ))
(( resid 43 and name HB1 ))
2.800 1.000 0.000 peak 312 weight 1.00000E+00 volume 6.54687E+09 ppm1 2.256 ppm2 2.063
ASSI { 314}
( resid 43 and name HG# )
(( resid 43 and name HB1 ))
2.500 0.700 0.000 peak 314 weight 1.00000E+00 volume 1.65681E+10 ppm1 2.239 ppm2 2.065
ASSI { 315}
(( resid 42 and name HA ))
( resid 42 and name HG# )
4.000 2.200 0.000 peak 315 weight 1.00000E+00 volume 8.22835E+08 ppm1 4.014 ppm2 2.330
ASSI { 324}
(( resid 108 and name HA ))
(( resid 106 and name HG2 ))
6.000 4.200 0.000 peak 324 weight 1.00000E+00 volume 1.08248E+08 ppm1 4.253 ppm2 2.391
ASSI { 339}
( resid 36 and name HD# )
(( resid 36 and name HG2 ))
2.500 0.700 0.000 peak 339 weight 1.00000E+00 volume 1.18701E+10 ppm1 1.626 ppm2 1.393
ASSI { 341}
(( resid 36 and name HD1 ))
( resid 35 and name HG2#)
5.000 3.200 0.000 peak 341 weight 1.00000E+00 volume 1.35735E+09 ppm1 1.622 ppm2 0.910
ASSI { 346}
(( resid 36 and name HA ))
( resid 36 and name HB# )
5.000 3.200 0.000 peak 346 weight 1.00000E+00 volume 6.19556E+08 ppm1 4.132 ppm2 1.751
ASSI { 347}
(( resid 35 and name HA ))
( resid 38 and name HB# )
4.000 2.200 0.000 peak 347 weight 1.00000E+00 volume 7.67061E+08 ppm1 3.919 ppm2 2.003
ASSI { 353}
(( resid 34 and name HA ))
( resid 37 and name HB# )
5.000 3.200 0.000 peak 353 weight 1.00000E+00 volume 5.82072E+08 ppm1 4.168 ppm2 2.821
ASSI { 359}
(( resid 32 and name HB1 ))
(( resid 32 and name HB2 ))
2.500 0.700 0.000 peak 359 weight 1.00000E+00 volume -1.28680E+10 ppm1 3.969 ppm2 3.885
ASSI { 361}
(( resid 14 and name HB2 ))
( resid 18 and name HD# )
6.000 4.200 0.000 peak 361 weight 1.00000E+00 volume 2.14088E+08 ppm1 3.218 ppm2 0.626
ASSI { 363}
(( resid 66 and name HA1 ))
( resid 65 and name HB# )
6.000 4.200 0.000 peak 363 weight 1.00000E+00 volume 2.57477E+08 ppm1 3.928 ppm2 1.395
ASSI { 364}
(( resid 8 and name HA ))
(( resid 6 and name HA ))
6.000 4.200 0.000 peak 364 weight 1.00000E+00 volume -1.42049E+08 ppm1 4.570 ppm2 4.339
ASSI { 370}
(( resid 8 and name HA ))
(( resid 8 and name HB1 ))
4.000 2.200 0.000 peak 370 weight 1.00000E+00 volume 9.22397E+08 ppm1 4.575 ppm2 1.844
ASSI { 371}
(( resid 8 and name HA ))
(( resid 8 and name HB2 ))
5.000 3.200 0.000 peak 371 weight 1.00000E+00 volume 3.01051E+07 ppm1 4.575 ppm2 2.008
ASSI { 372}
(( resid 23 and name HG2 ))
(( resid 23 and name HB1 ))
4.000 2.200 0.000 peak 372 weight 1.00000E+00 volume 4.49572E+08 ppm1 2.505 ppm2 2.253
ASSI { 374}
( resid 8 and name HG# )
(( resid 8 and name HB2 ))
2.800 1.000 0.000 peak 374 weight 1.00000E+00 volume 4.96449E+09 ppm1 2.256 ppm2 2.008
ASSI { 375}
(( resid 8 and name HG2 ))
(( resid 8 and name HB1 ))
4.000 2.200 0.000 peak 375 weight 1.00000E+00 volume 1.75270E+09 ppm1 2.255 ppm2 1.833
ASSI { 376}
(( resid 8 and name HB2 ))
(( resid 8 and name HB1 ))
2.500 0.700 0.000 peak 376 weight 1.00000E+00 volume 1.03549E+10 ppm1 2.006 ppm2 1.834
ASSI { 379}
(( resid 9 and name HA ))
(( resid 9 and name HB1 ))
4.000 2.200 0.000 peak 379 weight 1.00000E+00 volume 1.70486E+09 ppm1 4.377 ppm2 2.262
ASSI { 380}
(( resid 9 and name HA ))
(( resid 9 and name HB2 ))
4.000 2.200 0.000 peak 380 weight 1.00000E+00 volume 1.02151E+09 ppm1 4.378 ppm2 1.963
ASSI { 396}
(( resid 13 and name HB2 ))
(( resid 13 and name HB1 ))
2.500 0.700 0.000 peak 396 weight 1.00000E+00 volume 2.29106E+10 ppm1 2.849 ppm2 2.765
ASSI { 401}
(( resid 28 and name HA ))
( resid 28 and name HB# )
4.000 2.200 0.000 peak 401 weight 1.00000E+00 volume 7.79434E+08 ppm1 3.855 ppm2 1.962
ASSI { 410}
(( resid 74 and name HB2 ))
( resid 25 and name HD1#)
5.000 3.200 0.000 peak 410 weight 1.00000E+00 volume 9.26730E+08 ppm1 1.737 ppm2 1.243
ASSI { 432}
(( resid 46 and name HA ))
( resid 46 and name HD# )
6.000 4.200 0.000 peak 432 weight 1.00000E+00 volume 1.38056E+08 ppm1 4.404 ppm2 4.137
ASSI { 433}
(( resid 9 and name HD2 ))
(( resid 9 and name HD1 ))
2.500 0.700 0.000 peak 433 weight 1.00000E+00 volume 1.64748E+10 ppm1 3.678 ppm2 3.777
ASSI { 442}
(( resid 79 and name HA ))
(( resid 79 and name HB1 ))
2.800 1.000 0.000 peak 442 weight 1.00000E+00 volume 1.28552E+09 ppm1 3.941 ppm2 2.001
ASSI { 443}
(( resid 96 and name HA ))
( resid 99 and name HB# )
6.000 4.200 0.000 peak 443 weight 1.00000E+00 volume 5.59037E+08 ppm1 3.969 ppm2 1.341
ASSI { 444}
(( resid 76 and name HA ))
(( resid 79 and name HB2 ))
5.000 3.200 0.000 peak 444 weight 1.00000E+00 volume 4.75272E+08 ppm1 4.069 ppm2 2.181
ASSI { 445}
(( resid 76 and name HA ))
(( resid 79 and name HB1 ))
4.000 2.200 0.000 peak 445 weight 1.00000E+00 volume 1.09878E+09 ppm1 4.065 ppm2 1.997
ASSI { 449}
(( resid 92 and name HD2 ))
(( resid 91 and name HB ))
5.000 3.200 0.000 peak 449 weight 1.00000E+00 volume 4.75281E+08 ppm1 3.888 ppm2 2.104
ASSI { 453}
(( resid 9 and name HD2 ))
(( resid 9 and name HB1 ))
5.000 3.200 0.000 peak 453 weight 1.00000E+00 volume 4.80282E+08 ppm1 3.680 ppm2 2.243
ASSI { 454}
(( resid 9 and name HD2 ))
(( resid 9 and name HB2 ))
2.800 1.000 0.000 peak 454 weight 1.00000E+00 volume 2.60718E+09 ppm1 3.679 ppm2 1.996
ASSI { 455}
(( resid 9 and name HD2 ))
( resid 9 and name HG# )
5.000 3.200 0.000 peak 455 weight 1.00000E+00 volume 6.15428E+08 ppm1 3.680 ppm2 1.869
ASSI { 456}
(( resid 9 and name HD1 ))
(( resid 9 and name HB1 ))
5.000 3.200 0.000 peak 456 weight 1.00000E+00 volume 5.60027E+08 ppm1 3.783 ppm2 2.242
ASSI { 457}
(( resid 9 and name HB1 ))
(( resid 9 and name HB2 ))
2.800 1.000 0.000 peak 457 weight 1.00000E+00 volume 6.50075E+09 ppm1 2.248 ppm2 1.992
ASSI { 458}
(( resid 9 and name HB1 ))
( resid 9 and name HG# )
2.800 1.000 0.000 peak 458 weight 1.00000E+00 volume 5.89806E+09 ppm1 2.246 ppm2 1.874
ASSI { 460}
(( resid 12 and name HB ))
(( resid 12 and name HG1 ))
4.000 2.200 0.000 peak 460 weight 1.00000E+00 volume 9.66937E+08 ppm1 4.136 ppm2 4.783
ASSI { 461}
(( resid 12 and name HB ))
(( resid 11 and name HB1 ))
6.000 4.200 0.000 peak 461 weight 1.00000E+00 volume 1.12350E+08 ppm1 4.131 ppm2 2.019
ASSI { 462}
(( resid 12 and name HA ))
(( resid 12 and name HG1 ))
4.000 2.200 0.000 peak 462 weight 1.00000E+00 volume 6.83059E+08 ppm1 4.292 ppm2 4.752
ASSI { 470}
(( resid 99 and name HA ))
(( resid 100 and name HB1 ))
6.000 4.200 0.000 peak 470 weight 1.00000E+00 volume 2.47077E+07 ppm1 4.528 ppm2 2.268
ASSI { 474}
(( resid 97 and name HA ))
(( resid 100 and name HB2 ))
6.000 4.200 0.000 peak 474 weight 1.00000E+00 volume -1.73610E+08 ppm1 4.263 ppm2 2.005
ASSI { 481}
(( resid 32 and name HA ))
(( resid 32 and name HG ))
4.000 2.200 0.000 peak 481 weight 1.00000E+00 volume 6.61160E+08 ppm1 4.319 ppm2 4.783
ASSI { 501}
(( resid 70 and name HB ))
( resid 63 and name HD# )
5.000 3.200 0.000 peak 501 weight 1.00000E+00 volume 2.30599E+08 ppm1 2.063 ppm2 3.192
ASSI { 502}
(( resid 68 and name HB2 ))
( resid 62 and name HG# )
5.000 3.200 0.000 peak 502 weight 1.00000E+00 volume 6.03093E+08 ppm1 2.606 ppm2 1.387
ASSI { 6}
(( resid 78 and name HB ))
(( resid 79 and name HN ))
4.000 2.200 0.000 peak 6 weight 1.00000E+00 volume 4.42927E+08 ppm1 2.074 ppm2 8.648
ASSI { 26}
(( resid 79 and name HB1 ))
( resid 79 and name HG# )
2.800 1.000 0.000 peak 26 weight 1.00000E+00 volume 1.51720E+09 ppm1 1.997 ppm2 2.548
ASSI { 27}
(( resid 79 and name HB2 ))
( resid 79 and name HG# )
4.000 2.200 0.000 peak 27 weight 1.00000E+00 volume 4.59901E+08 ppm1 2.178 ppm2 2.547
ASSI { 33}
(( resid 58 and name HB2 ))
(( resid 58 and name HN ))
4.000 2.200 0.000 peak 33 weight 1.00000E+00 volume 4.25134E+08 ppm1 1.875 ppm2 7.890
ASSI { 34}
(( resid 58 and name HB1 ))
(( resid 58 and name HN ))
4.000 2.200 0.000 peak 34 weight 1.00000E+00 volume 5.62921E+08 ppm1 1.803 ppm2 7.890
ASSI { 37}
(( resid 79 and name HB1 ))
( resid 22 and name HE# )
5.000 3.200 0.000 peak 37 weight 1.00000E+00 volume 2.60708E+08 ppm1 1.992 ppm2 6.777
ASSI { 39}
( resid 38 and name HB# )
(( resid 39 and name HD2 ))
5.000 3.200 0.000 peak 39 weight 1.00000E+00 volume 1.42116E+08 ppm1 1.991 ppm2 6.731
ASSI { 40}
(( resid 79 and name HB2 ))
( resid 22 and name HE# )
5.000 3.200 0.000 peak 40 weight 1.00000E+00 volume 2.88166E+08 ppm1 2.177 ppm2 6.777
ASSI { 41}
(( resid 22 and name HB1 ))
( resid 22 and name HE# )
5.000 3.200 0.000 peak 41 weight 1.00000E+00 volume 1.53548E+08 ppm1 3.318 ppm2 6.776
ASSI { 42}
( resid 25 and name HB# )
( resid 24 and name HD# )
4.000 2.200 0.000 peak 42 weight 1.00000E+00 volume 6.74633E+08 ppm1 1.977 ppm2 6.959
ASSI { 44}
(( resid 48 and name HB1 ))
(( resid 48 and name HA ))
4.000 2.200 0.000 peak 44 weight 1.00000E+00 volume 4.22284E+08 ppm1 1.810 ppm2 4.188
ASSI { 50}
(( resid 41 and name HB2 ))
(( resid 38 and name HA ))
4.000 2.200 0.000 peak 50 weight 1.00000E+00 volume 2.34569E+08 ppm1 3.088 ppm2 3.864
ASSI { 51}
(( resid 37 and name HB2 ))
(( resid 38 and name HA ))
5.000 3.200 0.000 peak 51 weight 1.00000E+00 volume 1.32697E+08 ppm1 2.757 ppm2 3.861
ASSI { 55}
(( resid 60 and name HB1 ))
( resid 41 and name HD# )
4.000 2.200 0.000 peak 55 weight 1.00000E+00 volume 3.71250E+08 ppm1 1.980 ppm2 7.064
ASSI { 56}
(( resid 57 and name HB ))
( resid 41 and name HD# )
4.000 2.200 0.000 peak 56 weight 1.00000E+00 volume 3.85737E+08 ppm1 2.123 ppm2 7.067
ASSI { 63}
(( resid 16 and name HB1 ))
(( resid 16 and name HN ))
4.000 2.200 0.000 peak 63 weight 1.00000E+00 volume 6.34055E+08 ppm1 2.086 ppm2 7.980
ASSI { 65}
(( resid 16 and name HG2 ))
(( resid 16 and name HN ))
4.000 2.200 0.000 peak 65 weight 1.00000E+00 volume 2.51171E+08 ppm1 2.269 ppm2 7.981
ASSI { 66}
(( resid 16 and name HB2 ))
(( resid 17 and name HN ))
4.000 2.200 0.000 peak 66 weight 1.00000E+00 volume 2.93304E+08 ppm1 2.022 ppm2 7.774
ASSI { 67}
(( resid 16 and name HB1 ))
(( resid 17 and name HN ))
4.000 2.200 0.000 peak 67 weight 1.00000E+00 volume 1.73364E+08 ppm1 2.087 ppm2 7.776
ASSI { 70}
(( resid 81 and name HB2 ))
(( resid 81 and name HN ))
4.000 2.200 0.000 peak 70 weight 1.00000E+00 volume 1.69045E+08 ppm1 2.038 ppm2 7.709
ASSI { 71}
(( resid 89 and name HB2 ))
(( resid 90 and name HN ))
4.000 2.200 0.000 peak 71 weight 1.00000E+00 volume 3.26746E+08 ppm1 2.185 ppm2 8.281
ASSI { 75}
(( resid 11 and name HB1 ))
(( resid 11 and name HN ))
3.500 1.000 0.000 peak 75 weight 1.00000E+00 volume 7.48635E+08 ppm1 2.033 ppm2 8.359
ASSI { 76}
(( resid 86 and name HB1 ))
(( resid 86 and name HD2 ))
4.000 2.200 0.000 peak 76 weight 1.00000E+00 volume 3.71189E+08 ppm1 1.824 ppm2 2.749
ASSI { 77}
(( resid 86 and name HB1 ))
(( resid 86 and name HD1 ))
4.000 2.200 0.000 peak 77 weight 1.00000E+00 volume 3.07655E+08 ppm1 1.825 ppm2 2.977
ASSI { 79}
(( resid 81 and name HG2 ))
(( resid 81 and name HD1 ))
4.000 2.200 0.000 peak 79 weight 1.00000E+00 volume 2.91228E+08 ppm1 1.790 ppm2 3.382
ASSI { 80}
(( resid 81 and name HG1 ))
(( resid 81 and name HD1 ))
4.000 2.200 0.000 peak 80 weight 1.00000E+00 volume 2.97871E+08 ppm1 1.751 ppm2 3.381
ASSI { 81}
(( resid 81 and name HB1 ))
(( resid 81 and name HD1 ))
4.000 2.200 0.000 peak 81 weight 1.00000E+00 volume 2.27321E+08 ppm1 2.031 ppm2 3.382
ASSI { 82}
(( resid 81 and name HB2 ))
(( resid 81 and name HD2 ))
4.000 2.200 0.000 peak 82 weight 1.00000E+00 volume 3.15490E+08 ppm1 2.029 ppm2 3.225
ASSI { 84}
(( resid 81 and name HG1 ))
(( resid 81 and name HD2 ))
4.000 2.200 0.000 peak 84 weight 1.00000E+00 volume 3.62783E+08 ppm1 1.752 ppm2 3.222
ASSI { 85}
(( resid 81 and name HG2 ))
(( resid 81 and name HD2 ))
4.000 2.200 0.000 peak 85 weight 1.00000E+00 volume 3.68711E+08 ppm1 1.793 ppm2 3.226
ASSI { 90}
(( resid 75 and name HB1 ))
(( resid 75 and name HD2 ))
4.000 2.200 0.000 peak 90 weight 1.00000E+00 volume 2.25563E+08 ppm1 1.884 ppm2 3.277
ASSI { 91}
(( resid 75 and name HB2 ))
(( resid 75 and name HD2 ))
4.000 2.200 0.000 peak 91 weight 1.00000E+00 volume 2.77518E+08 ppm1 1.746 ppm2 3.277
ASSI { 94}
(( resid 75 and name HB1 ))
(( resid 75 and name HD1 ))
4.000 2.200 0.000 peak 94 weight 1.00000E+00 volume 3.52477E+08 ppm1 1.878 ppm2 3.144
ASSI { 95}
(( resid 75 and name HB2 ))
(( resid 75 and name HD1 ))
4.000 2.200 0.000 peak 95 weight 1.00000E+00 volume 2.97331E+08 ppm1 1.747 ppm2 3.137
ASSI { 96}
(( resid 63 and name HB2 ))
( resid 63 and name HD# )
4.000 2.200 0.000 peak 96 weight 1.00000E+00 volume 5.43242E+08 ppm1 1.887 ppm2 3.200
ASSI { 97}
(( resid 63 and name HB1 ))
( resid 63 and name HD# )
4.000 2.200 0.000 peak 97 weight 1.00000E+00 volume 5.00083E+08 ppm1 1.829 ppm2 3.202
ASSI { 100}
( resid 63 and name HG# )
(( resid 63 and name HA ))
3.500 1.000 0.000 peak 100 weight 1.00000E+00 volume 9.37667E+08 ppm1 1.648 ppm2 4.248
ASSI { 103}
(( resid 86 and name HB1 ))
(( resid 86 and name HA ))
2.800 1.000 0.000 peak 103 weight 1.00000E+00 volume 8.57692E+08 ppm1 1.685 ppm2 4.028
ASSI { 108}
(( resid 86 and name HB1 ))
(( resid 86 and name HD2 ))
4.000 2.200 0.000 peak 108 weight 1.00000E+00 volume 3.31827E+08 ppm1 1.686 ppm2 2.748
ASSI { 109}
( resid 86 and name HG# )
(( resid 86 and name HN ))
2.800 1.000 0.000 peak 109 weight 1.00000E+00 volume 8.54951E+08 ppm1 1.632 ppm2 8.521
ASSI { 112}
(( resid 23 and name HB2 ))
(( resid 23 and name HG2 ))
4.000 2.200 0.000 peak 112 weight 1.00000E+00 volume 3.11589E+08 ppm1 2.184 ppm2 2.501
ASSI { 115}
(( resid 71 and name HG2 ))
(( resid 71 and name HD2 ))
2.800 1.000 0.000 peak 115 weight 1.00000E+00 volume 6.66833E+08 ppm1 2.111 ppm2 3.608
ASSI { 125}
(( resid 27 and name HB1 ))
(( resid 26 and name HB2 ))
4.000 2.200 0.000 peak 125 weight 1.00000E+00 volume 2.35700E+08 ppm1 1.704 ppm2 2.395
ASSI { 127}
(( resid 77 and name HB1 ))
(( resid 77 and name HA ))
2.800 1.000 0.000 peak 127 weight 1.00000E+00 volume 9.34581E+08 ppm1 1.863 ppm2 4.092
ASSI { 131}
(( resid 77 and name HB1 ))
(( resid 77 and name HN ))
2.800 1.000 0.000 peak 131 weight 1.00000E+00 volume 6.78434E+08 ppm1 1.867 ppm2 8.130
ASSI { 134}
(( resid 60 and name HB1 ))
(( resid 57 and name HA ))
2.800 1.000 0.000 peak 134 weight 1.00000E+00 volume 6.72186E+08 ppm1 1.974 ppm2 3.500
ASSI { 135}
(( resid 92 and name HG1 ))
(( resid 92 and name HD1 ))
2.800 1.000 0.000 peak 135 weight 1.00000E+00 volume 8.64535E+08 ppm1 1.958 ppm2 3.466
ASSI { 138}
(( resid 92 and name HG1 ))
(( resid 92 and name HD2 ))
2.800 1.000 0.000 peak 138 weight 1.00000E+00 volume 1.13205E+09 ppm1 1.958 ppm2 3.891
ASSI { 140}
(( resid 43 and name HB1 ))
(( resid 43 and name HN ))
4.000 2.200 0.000 peak 140 weight 1.00000E+00 volume 5.61261E+08 ppm1 2.069 ppm2 8.021
ASSI { 150}
(( resid 63 and name HB2 ))
(( resid 64 and name HN ))
4.000 2.200 0.000 peak 150 weight 1.00000E+00 volume 2.07687E+08 ppm1 1.892 ppm2 8.287
ASSI { 151}
(( resid 25 and name HG ))
(( resid 25 and name HA ))
4.000 2.200 0.000 peak 151 weight 1.00000E+00 volume 4.79002E+08 ppm1 1.739 ppm2 3.773
ASSI { 152}
(( resid 25 and name HG ))
(( resid 25 and name HN ))
5.000 2.200 0.000 peak 152 weight 1.00000E+00 volume 5.31290E+08 ppm1 1.734 ppm2 8.105
ASSI { 153}
(( resid 59 and name HB2 ))
(( resid 59 and name HN ))
4.000 2.200 0.000 peak 153 weight 1.00000E+00 volume 1.52756E+08 ppm1 1.922 ppm2 7.403
ASSI { 155}
(( resid 79 and name HB1 ))
(( resid 80 and name HN ))
4.000 2.200 0.000 peak 155 weight 1.00000E+00 volume 4.60014E+08 ppm1 1.994 ppm2 8.317
ASSI { 157}
(( resid 93 and name HN ))
(( resid 93 and name HG1 ))
4.000 2.200 0.000 peak 157 weight 1.00000E+00 volume 1.83266E+08 ppm1 2.203 ppm2 8.525
ASSI { 161}
(( resid 81 and name HB2 ))
(( resid 84 and name HN ))
5.000 3.200 0.000 peak 161 weight 1.00000E+00 volume 9.15318E+07 ppm1 2.025 ppm2 7.487
ASSI { 162}
(( resid 81 and name HB1 ))
(( resid 84 and name HN ))
5.000 3.200 0.000 peak 162 weight 1.00000E+00 volume 9.03092E+07 ppm1 2.038 ppm2 7.481
ASSI { 164}
(( resid 107 and name HB1 ))
(( resid 107 and name HN ))
2.800 1.000 0.000 peak 164 weight 1.00000E+00 volume 9.09944E+08 ppm1 2.044 ppm2 8.492
ASSI { 165}
(( resid 82 and name HB1 ))
(( resid 79 and name HA ))
4.000 2.200 0.000 peak 165 weight 1.00000E+00 volume 4.37586E+08 ppm1 2.304 ppm2 3.939
ASSI { 167}
(( resid 82 and name HB1 ))
(( resid 82 and name HA ))
4.000 2.200 0.000 peak 167 weight 1.00000E+00 volume 4.20336E+08 ppm1 2.303 ppm2 3.983
ASSI { 168}
(( resid 11 and name HG2 ))
(( resid 9 and name HD1 ))
4.000 2.200 0.000 peak 168 weight 1.00000E+00 volume 3.86787E+08 ppm1 2.209 ppm2 3.761
ASSI { 169}
(( resid 11 and name HG2 ))
(( resid 9 and name HD1 ))
4.000 2.200 0.000 peak 169 weight 1.00000E+00 volume 3.53089E+08 ppm1 2.349 ppm2 3.759
!ASSI { 172}
! (( resid 11 and name HG2 ))
!(( resid 11 and name HG2 ))
! 2.500 0.700 0.000 peak 172 weight 1.00000E+00 volume 1.94001E+09 ppm1 2.209 ppm2 2.357
ASSI { 173}
(( resid 27 and name HB2 ))
(( resid 27 and name HA ))
2.800 1.000 0.000 peak 173 weight 1.00000E+00 volume 1.05541E+09 ppm1 1.892 ppm2 4.239
ASSI { 178}
(( resid 60 and name HB1 ))
(( resid 60 and name HA ))
2.800 1.000 0.000 peak 178 weight 1.00000E+00 volume 7.22138E+08 ppm1 1.982 ppm2 4.132
ASSI { 179}
(( resid 60 and name HB2 ))
(( resid 60 and name HA ))
4.000 2.200 0.000 peak 179 weight 1.00000E+00 volume 6.14833E+08 ppm1 1.854 ppm2 4.128
ASSI { 182}
(( resid 75 and name HB2 ))
(( resid 75 and name HA ))
2.800 1.000 0.000 peak 182 weight 1.00000E+00 volume 6.71919E+08 ppm1 1.747 ppm2 3.665
ASSI { 183}
(( resid 60 and name HB2 ))
(( resid 57 and name HA ))
4.000 2.200 0.000 peak 183 weight 1.00000E+00 volume 3.33974E+08 ppm1 1.868 ppm2 3.502
ASSI { 186}
(( resid 91 and name HB ))
(( resid 91 and name HN ))
4.000 2.200 0.000 peak 186 weight 1.00000E+00 volume 4.97592E+08 ppm1 2.105 ppm2 8.343
ASSI { 188}
( resid 14 and name HB# )
(( resid 15 and name HN ))
5.000 3.200 0.000 peak 188 weight 1.00000E+00 volume 1.43376E+08 ppm1 3.190 ppm2 8.507
ASSI { 191}
(( resid 20 and name HA ))
(( resid 21 and name HN ))
4.000 2.200 0.000 peak 191 weight 1.00000E+00 volume 1.69298E+08 ppm1 4.648 ppm2 8.508
ASSI { 196}
(( resid 14 and name HA ))
(( resid 47 and name HN ))
5.000 3.200 0.000 peak 196 weight 1.00000E+00 volume 1.47825E+08 ppm1 4.891 ppm2 8.151
ASSI { 197}
(( resid 14 and name HA ))
( resid 51 and name HE# )
6.000 4.200 0.000 peak 197 weight 1.00000E+00 volume 9.18017E+07 ppm1 4.898 ppm2 6.766
ASSI { 199}
(( resid 20 and name HA ))
(( resid 20 and name HD2 ))
4.000 2.200 0.000 peak 199 weight 1.00000E+00 volume 4.07630E+08 ppm1 4.646 ppm2 7.122
ASSI { 202}
(( resid 19 and name HB1 ))
(( resid 20 and name HD2 ))
5.000 3.200 0.000 peak 202 weight 1.00000E+00 volume 1.37352E+08 ppm1 2.831 ppm2 7.123
ASSI { 204}
(( resid 47 and name HA ))
( resid 51 and name HE# )
5.000 3.200 0.000 peak 204 weight 1.00000E+00 volume 1.48170E+08 ppm1 4.476 ppm2 6.767
ASSI { 212}
(( resid 79 and name HB1 ))
(( resid 75 and name HD1 ))
4.000 2.200 0.000 peak 212 weight 1.00000E+00 volume 2.95856E+08 ppm1 1.984 ppm2 3.133
ASSI { 217}
(( resid 86 and name HD1 ))
(( resid 86 and name HE ))
4.000 2.200 0.000 peak 217 weight 1.00000E+00 volume 2.17967E+08 ppm1 2.981 ppm2 7.010
ASSI { 218}
(( resid 86 and name HG2 ))
(( resid 86 and name HE ))
4.000 2.200 0.000 peak 218 weight 1.00000E+00 volume 3.67643E+08 ppm1 1.625 ppm2 7.002
ASSI { 221}
(( resid 86 and name HB1 ))
(( resid 83 and name HA ))
4.000 2.200 0.000 peak 221 weight 1.00000E+00 volume 4.02860E+08 ppm1 1.826 ppm2 4.374
ASSI { 223}
(( resid 83 and name HB2 ))
(( resid 80 and name HA1 ))
4.000 2.200 0.000 peak 223 weight 1.00000E+00 volume 1.96343E+08 ppm1 2.911 ppm2 3.901
ASSI { 225}
(( resid 75 and name HB1 ))
(( resid 75 and name HA ))
2.800 1.000 0.000 peak 225 weight 1.00000E+00 volume 9.53435E+08 ppm1 1.880 ppm2 3.665
ASSI { 227}
(( resid 77 and name HB2 ))
(( resid 74 and name HA ))
2.800 1.000 0.000 peak 227 weight 1.00000E+00 volume 9.09460E+08 ppm1 1.990 ppm2 4.014
ASSI { 244}
(( resid 40 and name HA ))
( resid 41 and name HD# )
5.000 3.200 0.000 peak 244 weight 1.00000E+00 volume 1.18795E+08 ppm1 4.428 ppm2 7.069
ASSI { 248}
(( resid 75 and name HB2 ))
( resid 79 and name HG# )
4.000 2.200 0.000 peak 248 weight 1.00000E+00 volume 1.87638E+08 ppm1 1.735 ppm2 2.546
ASSI { 249}
(( resid 26 and name HB2 ))
(( resid 26 and name HB1 ))
2.800 1.000 0.000 peak 249 weight 1.00000E+00 volume 1.31765E+09 ppm1 2.409 ppm2 2.542
ASSI { 250}
(( resid 59 and name HB2 ))
(( resid 59 and name HA ))
2.800 1.000 0.000 peak 250 weight 1.00000E+00 volume 1.07852E+09 ppm1 1.920 ppm2 4.003
ASSI { 266}
( resid 8 and name HG# )
(( resid 8 and name HA ))
5.000 3.200 0.000 peak 266 weight 1.00000E+00 volume 7.82792E+07 ppm1 2.248 ppm2 4.574
ASSI { 268}
(( resid 8 and name HB1 ))
( resid 8 and name HG# )
4.000 2.200 0.000 peak 268 weight 1.00000E+00 volume 3.38360E+08 ppm1 1.833 ppm2 2.253
ASSI { 272}
( resid 9 and name HG# )
(( resid 9 and name HA ))
4.000 2.200 0.000 peak 272 weight 1.00000E+00 volume 5.81740E+08 ppm1 1.875 ppm2 4.382
ASSI { 275}
( resid 106 and name HG# )
(( resid 106 and name HN ))
5.000 3.200 0.000 peak 275 weight 1.00000E+00 volume 8.70925E+07 ppm1 2.403 ppm2 8.493
ASSI { 276}
(( resid 71 and name HD1 ))
(( resid 68 and name HA ))
6.000 4.200 0.000 peak 276 weight 1.00000E+00 volume 2.41776E+07 ppm1 3.963 ppm2 4.582
ASSI { 282}
(( resid 92 and name HB2 ))
(( resid 92 and name HD2 ))
4.000 2.200 0.000 peak 282 weight 1.00000E+00 volume 2.22777E+08 ppm1 2.294 ppm2 3.898
ASSI { 283}
(( resid 92 and name HB2 ))
(( resid 92 and name HD1 ))
4.000 2.200 0.000 peak 283 weight 1.00000E+00 volume 1.81206E+08 ppm1 2.299 ppm2 3.466
ASSI { 284}
(( resid 71 and name HG1 ))
( resid 71 and name HB# )
2.500 0.700 0.000 peak 284 weight 1.00000E+00 volume 1.76967E+09 ppm1 2.014 ppm2 2.383
ASSI { 286}
(( resid 71 and name HG2 ))
(( resid 71 and name HD1 ))
2.800 1.000 0.000 peak 286 weight 1.00000E+00 volume 8.66870E+08 ppm1 2.106 ppm2 3.966
ASSI { 288}
( resid 60 and name HD1#)
( resid 75 and name HG# )
4.000 2.200 0.000 peak 288 weight 1.00000E+00 volume 9.04305E+08 ppm1 0.826 ppm2 1.400
ASSI { 290}
(( resid 63 and name HA ))
(( resid 63 and name HN ))
4.000 2.200 0.000 peak 290 weight 1.00000E+00 volume 5.50215E+08 ppm1 4.262 ppm2 8.025
ASSI { 291}
(( resid 60 and name HG ))
(( resid 60 and name HN ))
5.000 3.200 0.000 peak 291 weight 1.00000E+00 volume 9.07721E+07 ppm1 1.511 ppm2 7.744
ASSI { 293}
(( resid 23 and name HB1 ))
(( resid 23 and name HN ))
4.000 2.200 0.000 peak 293 weight 1.00000E+00 volume 5.45829E+08 ppm1 2.253 ppm2 8.061
ASSI { 298}
(( resid 37 and name HB1 ))
(( resid 37 and name HN ))
4.000 2.200 0.000 peak 298 weight 1.00000E+00 volume 2.73758E+08 ppm1 2.828 ppm2 7.990
ASSI { 299}
(( resid 37 and name HB2 ))
(( resid 37 and name HN ))
4.000 2.200 0.000 peak 299 weight 1.00000E+00 volume 3.21296E+08 ppm1 2.754 ppm2 7.990
ASSI { 301}
(( resid 58 and name HB2 ))
(( resid 59 and name HN ))
5.000 3.200 0.000 peak 301 weight 1.00000E+00 volume 1.09945E+08 ppm1 1.870 ppm2 7.401
set echo on message on end
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