NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
23063 |
2jt4   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 11}
(( segid "SH3 " and resid 36 and name HA ))
(( segid "SH3 " and resid 36 and name HN ))
2.900 1.000 1.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.23047E-02 ppm1 8.073 ppm2 4.023 CV 1
OR { 11}
(( segid "SH3 " and resid 24 and name HB ))
(( segid "SH3 " and resid 17 and name HN ))
ASSI { 14}
(( segid "SH3 " and resid 7 and name HD1 ))
(( segid "SH3 " and resid 36 and name HN ))
4.100 2.100 1.900 peak 14 spectrum 1 weight 0.10000E+01 volume 0.37862E-03 ppm1 8.075 ppm2 1.556 CV 1
OR { 14}
(( segid "SH3 " and resid 7 and name HD2 ))
(( segid "SH3 " and resid 36 and name HN ))
OR { 14}
(( segid "SH3 " and resid 38 and name HG1 ))
(( segid "SH3 " and resid 36 and name HN ))
ASSI { 17}
(( segid "SH3 " and resid 34 and name HG ))
(( segid "SH3 " and resid 45 and name HN ))
4.500 2.600 1.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.23337E-03 ppm1 9.181 ppm2 1.477 CV 1
OR { 17}
(( segid "SH3 " and resid 55 and name HB2 ))
(( segid "SH3 " and resid 45 and name HN ))
OR { 17}
(( segid "SH3 " and resid 34 and name HB1 ))
(( segid "SH3 " and resid 45 and name HN ))
ASSI { 21}
(( segid "SH3 " and resid 45 and name HB2 ))
(( segid "SH3 " and resid 45 and name HN ))
2.700 0.900 0.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.35925E-02 ppm1 9.178 ppm2 2.695 CV 1
OR { 21}
(( segid "SH3 " and resid 44 and name HB1 ))
(( segid "SH3 " and resid 45 and name HN ))
OR { 21}
(( segid "SH3 " and resid 45 and name HB1 ))
(( segid "SH3 " and resid 45 and name HN ))
ASSI { 24}
(( segid "SH3 " and resid 45 and name HG ))
(( segid "SH3 " and resid 45 and name HN ))
3.800 1.800 1.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.64491E-03 ppm1 9.174 ppm2 1.827 CV 1
OR { 24}
(( segid "SH3 " and resid 56 and name HB ))
(( segid "SH3 " and resid 45 and name HN ))
ASSI { 26}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 45 and name HN ))
3.300 1.300 1.300 peak 26 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 9.176 ppm2 0.805 CV 1
OR { 26}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 45 and name HN ))
ASSI { 27}
(( segid "SH3 " and resid 23 and name HB2 ))
(( segid "SH3 " and resid 45 and name HN ))
4.000 2.000 2.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.47932E-03 ppm1 9.174 ppm2 0.669 CV 1
OR { 27}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 45 and name HN ))
OR { 27}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 45 and name HN ))
OR { 27}
( segid "SH3 " and resid 23 and name HD1%)
(( segid "SH3 " and resid 45 and name HN ))
ASSI { 28}
( segid "SH3 " and resid 23 and name HD2%)
(( segid "SH3 " and resid 45 and name HN ))
3.600 1.600 1.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.70689E-03 ppm1 9.176 ppm2 0.582 CV 1
OR { 28}
( segid "SH3 " and resid 31 and name HG2%)
(( segid "SH3 " and resid 45 and name HN ))
ASSI { 38}
(( segid "SH3 " and resid 44 and name HB1 ))
(( segid "SH3 " and resid 54 and name HN ))
4.000 2.000 2.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.38734E-03 ppm1 8.826 ppm2 2.706 CV 1
OR { 38}
(( segid "SH3 " and resid 45 and name HB1 ))
(( segid "SH3 " and resid 54 and name HN ))
ASSI { 43}
( segid "SH3 " and resid 44 and name HE% )
(( segid "SH3 " and resid 54 and name HN ))
4.100 2.100 1.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.52774E-03 ppm1 8.819 ppm2 2.077 CV 1
OR { 43}
(( segid "SH3 " and resid 46 and name HG1 ))
(( segid "SH3 " and resid 54 and name HN ))
ASSI { 44}
(( segid "SH3 " and resid 23 and name HB1 ))
(( segid "SH3 " and resid 54 and name HN ))
4.300 2.300 1.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.49966E-03 ppm1 8.821 ppm2 1.645 CV 1
OR { 44}
(( segid "SH3 " and resid 47 and name HG ))
(( segid "SH3 " and resid 54 and name HN ))
ASSI { 50}
(( segid "SH3 " and resid 46 and name HG2 ))
(( segid "SH3 " and resid 48 and name HN ))
3.700 1.700 1.700 peak 50 spectrum 1 weight 0.10000E+01 volume 0.79406E-03 ppm1 7.790 ppm2 1.985 CV 1
OR { 50}
(( segid "SH3 " and resid 31 and name HB ))
(( segid "SH3 " and resid 48 and name HN ))
OR { 50}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 48 and name HN ))
ASSI { 57}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 33 and name HN ))
4.300 2.400 1.700 peak 57 spectrum 1 weight 0.10000E+01 volume 0.45319E-03 ppm1 8.860 ppm2 6.920 CV 1
OR { 57}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 9 and name HN ))
ASSI { 58}
( segid "SH3 " and resid 32 and name HE% )
(( segid "SH3 " and resid 9 and name HN ))
3.600 1.700 1.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.32633E-03 ppm1 8.863 ppm2 6.784 CV 1
OR { 58}
( segid "SH3 " and resid 32 and name HE% )
(( segid "SH3 " and resid 33 and name HN ))
ASSI { 67}
(( segid "SH3 " and resid 8 and name HA ))
(( segid "SH3 " and resid 9 and name HN ))
2.200 0.600 0.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.10168E-01 ppm1 8.873 ppm2 5.252 CV 1
OR { 67}
(( segid "SH3 " and resid 8 and name HA ))
(( segid "SH3 " and resid 33 and name HN ))
ASSI { 71}
(( segid "SH3 " and resid 8 and name HB2 ))
(( segid "SH3 " and resid 9 and name HN ))
3.000 1.100 1.100 peak 71 spectrum 1 weight 0.10000E+01 volume 0.39702E-02 ppm1 8.872 ppm2 1.763 CV 1
OR { 71}
(( segid "SH3 " and resid 7 and name HB1 ))
(( segid "SH3 " and resid 33 and name HN ))
OR { 71}
(( segid "SH3 " and resid 7 and name HB2 ))
(( segid "SH3 " and resid 33 and name HN ))
OR { 71}
(( segid "SH3 " and resid 8 and name HG1 ))
(( segid "SH3 " and resid 9 and name HN ))
ASSI { 72}
( segid "SH3 " and resid 31 and name HG2%)
(( segid "SH3 " and resid 9 and name HN ))
2.500 0.800 0.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.54711E-02 ppm1 8.872 ppm2 0.554 CV 1
OR { 72}
( segid "SH3 " and resid 31 and name HG2%)
(( segid "SH3 " and resid 33 and name HN ))
ASSI { 73}
(( segid "SH3 " and resid 8 and name HG2 ))
(( segid "SH3 " and resid 9 and name HN ))
3.200 1.300 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.22756E-02 ppm1 8.868 ppm2 1.604 CV 1
OR { 73}
(( segid "SH3 " and resid 8 and name HG2 ))
(( segid "SH3 " and resid 33 and name HN ))
ASSI { 78}
(( segid "SH3 " and resid 7 and name HB2 ))
(( segid "SH3 " and resid 8 and name HN ))
2.200 0.600 0.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.97799E-02 ppm1 8.708 ppm2 1.766 CV 1
OR { 78}
(( segid "SH3 " and resid 8 and name HB2 ))
(( segid "SH3 " and resid 8 and name HN ))
OR { 78}
(( segid "SH3 " and resid 7 and name HB1 ))
(( segid "SH3 " and resid 8 and name HN ))
ASSI { 79}
( segid "SH3 " and resid 64 and name HG2%)
(( segid "SH3 " and resid 8 and name HN ))
3.800 1.800 1.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.38347E-03 ppm1 8.707 ppm2 0.839 CV 1
OR { 79}
( segid "SH3 " and resid 64 and name HG1%)
(( segid "SH3 " and resid 8 and name HN ))
OR { 79}
(( segid "SH3 " and resid 33 and name HG12))
(( segid "SH3 " and resid 8 and name HN ))
ASSI { 82}
(( segid "SH3 " and resid 33 and name HB ))
(( segid "SH3 " and resid 8 and name HN ))
3.400 1.400 1.400 peak 82 spectrum 1 weight 0.10000E+01 volume 0.21013E-02 ppm1 8.707 ppm2 1.483 CV 1
OR { 82}
(( segid "SH3 " and resid 7 and name HG1 ))
(( segid "SH3 " and resid 8 and name HN ))
ASSI { 87}
( segid "SH3 " and resid 15 and name HE% )
(( segid "SH3 " and resid 23 and name HN ))
2.900 1.000 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.26436E-02 ppm1 8.091 ppm2 7.357 CV 1
OR { 87}
(( segid "SH3 " and resid 22 and name HN ))
(( segid "SH3 " and resid 23 and name HN ))
ASSI { 107}
( segid "SH3 " and resid 47 and name HD2%)
(( segid "SH3 " and resid 26 and name HN ))
3.500 1.500 1.500 peak 107 spectrum 1 weight 0.10000E+01 volume 0.13654E-02 ppm1 9.026 ppm2 0.987 CV 1
OR { 107}
( segid "SH3 " and resid 25 and name HD1%)
(( segid "SH3 " and resid 26 and name HN ))
ASSI { 108}
( segid "SH3 " and resid 11 and name HG1%)
(( segid "SH3 " and resid 26 and name HN ))
3.000 1.100 1.100 peak 108 spectrum 1 weight 0.10000E+01 volume 0.30793E-02 ppm1 9.028 ppm2 0.877 CV 1
OR { 108}
( segid "SH3 " and resid 25 and name HG2%)
(( segid "SH3 " and resid 26 and name HN ))
ASSI { 109}
(( segid "SH3 " and resid 8 and name HN ))
(( segid "SH3 " and resid 7 and name HN ))
4.000 2.000 2.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.51418E-03 ppm1 8.314 ppm2 8.703 CV 1
OR { 109}
(( segid "SH3 " and resid 8 and name HN ))
(( segid "SH3 " and resid 64 and name HN ))
ASSI { 117}
(( segid "SH3 " and resid 33 and name HN ))
(( segid "SH3 " and resid 7 and name HN ))
3.800 1.800 1.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.53065E-03 ppm1 8.316 ppm2 8.858 CV 1
OR { 117}
(( segid "SH3 " and resid 9 and name HN ))
(( segid "SH3 " and resid 64 and name HN ))
ASSI { 126}
(( segid "SH3 " and resid 38 and name HB2 ))
(( segid "SH3 " and resid 38 and name HN ))
2.200 0.600 0.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.82209E-02 ppm1 8.619 ppm2 1.814 CV 1
OR { 126}
(( segid "SH3 " and resid 37 and name HB2 ))
(( segid "SH3 " and resid 38 and name HN ))
ASSI { 129}
(( segid "SH3 " and resid 38 and name HG2 ))
(( segid "SH3 " and resid 38 and name HN ))
3.500 1.500 1.500 peak 129 spectrum 1 weight 0.10000E+01 volume 0.10942E-02 ppm1 8.619 ppm2 1.393 CV 1
OR { 129}
(( segid "SH3 " and resid 37 and name HG1 ))
(( segid "SH3 " and resid 38 and name HN ))
ASSI { 132}
(( segid "SH3 " and resid 10 and name HN ))
(( segid "SH3 " and resid 64 and name HN ))
3.600 1.700 1.700 peak 132 spectrum 1 weight 0.10000E+01 volume 0.91314E-03 ppm1 8.270 ppm2 8.731 CV 1
OR { 132}
(( segid "SH3 " and resid 8 and name HN ))
(( segid "SH3 " and resid 64 and name HN ))
ASSI { 138}
(( segid "SH3 " and resid 64 and name HB ))
(( segid "SH3 " and resid 64 and name HN ))
2.400 0.700 0.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.80857E-02 ppm1 8.271 ppm2 1.860 CV 1
OR { 138}
(( segid "SH3 " and resid 63 and name HB2 ))
(( segid "SH3 " and resid 64 and name HN ))
ASSI { 147}
(( segid "SH3 " and resid 45 and name HG ))
(( segid "SH3 " and resid 44 and name HN ))
3.900 1.900 1.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.42220E-03 ppm1 8.531 ppm2 1.819 CV 1
OR { 147}
(( segid "SH3 " and resid 38 and name HB2 ))
(( segid "SH3 " and resid 44 and name HN ))
ASSI { 148}
(( segid "SH3 " and resid 34 and name HB1 ))
(( segid "SH3 " and resid 44 and name HN ))
5.000 3.100 1.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.24015E-03 ppm1 8.532 ppm2 1.484 CV 1
OR { 148}
(( segid "SH3 " and resid 34 and name HG ))
(( segid "SH3 " and resid 44 and name HN ))
OR { 148}
(( segid "SH3 " and resid 33 and name HB ))
(( segid "SH3 " and resid 44 and name HN ))
ASSI { 153}
(( segid "SH3 " and resid 43 and name HB2 ))
(( segid "SH3 " and resid 44 and name HN ))
3.300 1.300 1.300 peak 153 spectrum 1 weight 0.10000E+01 volume 0.31083E-02 ppm1 8.527 ppm2 2.744 CV 1
OR { 153}
(( segid "SH3 " and resid 44 and name HB1 ))
(( segid "SH3 " and resid 44 and name HN ))
ASSI { 156}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 44 and name HN ))
3.400 1.500 1.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.88702E-03 ppm1 8.527 ppm2 0.809 CV 1
OR { 156}
( segid "SH3 " and resid 55 and name HD1%)
(( segid "SH3 " and resid 44 and name HN ))
OR { 156}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 44 and name HN ))
ASSI { 157}
(( segid "SH3 " and resid 36 and name HB2 ))
(( segid "SH3 " and resid 44 and name HN ))
4.700 2.800 1.300 peak 157 spectrum 1 weight 0.10000E+01 volume 0.26726E-03 ppm1 8.521 ppm2 0.667 CV 1
OR { 157}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 44 and name HN ))
OR { 157}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 44 and name HN ))
ASSI { 167}
( segid "SH3 " and resid 17 and name HB% )
(( segid "SH3 " and resid 24 and name HN ))
2.600 0.800 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.52387E-02 ppm1 7.782 ppm2 1.261 CV 1
OR { 167}
( segid "SH3 " and resid 24 and name HG2%)
(( segid "SH3 " and resid 24 and name HN ))
ASSI { 172}
(( segid "SH3 " and resid 30 and name HA ))
(( segid "SH3 " and resid 29 and name HN ))
4.000 2.000 2.000 peak 172 spectrum 1 weight 0.10000E+01 volume 0.37862E-03 ppm1 8.469 ppm2 4.848 CV 1
OR { 172}
(( segid "SH3 " and resid 10 and name HA ))
(( segid "SH3 " and resid 29 and name HN ))
OR { 172}
(( segid "SH3 " and resid 26 and name HA ))
(( segid "SH3 " and resid 29 and name HN ))
ASSI { 180}
(( segid "SH3 " and resid 11 and name HN ))
(( segid "SH3 " and resid 29 and name HN ))
3.200 1.300 1.300 peak 180 spectrum 1 weight 0.10000E+01 volume 0.25661E-02 ppm1 8.469 ppm2 9.010 CV 1
OR { 180}
(( segid "SH3 " and resid 26 and name HN ))
(( segid "SH3 " and resid 29 and name HN ))
ASSI { 181}
(( segid "SH3 " and resid 26 and name HB2 ))
(( segid "SH3 " and resid 29 and name HN ))
3.700 1.700 1.700 peak 181 spectrum 1 weight 0.10000E+01 volume 0.58972E-03 ppm1 8.466 ppm2 1.626 CV 1
OR { 181}
(( segid "SH3 " and resid 26 and name HB1 ))
(( segid "SH3 " and resid 29 and name HN ))
OR { 181}
(( segid "SH3 " and resid 10 and name HB ))
(( segid "SH3 " and resid 29 and name HN ))
ASSI { 184}
(( segid "SH3 " and resid 68 and name HA ))
(( segid "SH3 " and resid 68 and name HN ))
3.300 1.300 1.300 peak 184 spectrum 1 weight 0.10000E+01 volume 0.11427E-02 ppm1 8.204 ppm2 4.235 CV 1
OR { 184}
(( segid "SH3 " and resid 67 and name HA ))
(( segid "SH3 " and resid 68 and name HN ))
OR { 184}
(( segid "SH3 " and resid 67 and name HA ))
(( segid "SH3 " and resid 67 and name HN ))
ASSI { 185}
(( segid "SH3 " and resid 67 and name HB2 ))
(( segid "SH3 " and resid 67 and name HN ))
3.500 1.500 1.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.90054E-03 ppm1 8.201 ppm2 1.689 CV 1
OR { 185}
(( segid "SH3 " and resid 67 and name HB2 ))
(( segid "SH3 " and resid 68 and name HN ))
ASSI { 199}
(( segid "SH3 " and resid 43 and name HD1 ))
(( segid "SH3 " and resid 43 and name HN ))
3.400 1.500 1.500 peak 199 spectrum 1 weight 0.10000E+01 volume 0.95767E-03 ppm1 9.038 ppm2 7.241 CV 1
OR { 199}
(( segid "SH3 " and resid 58 and name HN ))
(( segid "SH3 " and resid 43 and name HN ))
ASSI { 204}
(( segid "SH3 " and resid 42 and name HB1 ))
(( segid "SH3 " and resid 43 and name HN ))
2.900 1.000 1.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.39702E-02 ppm1 9.037 ppm2 2.923 CV 1
OR { 204}
(( segid "SH3 " and resid 43 and name HB1 ))
(( segid "SH3 " and resid 43 and name HN ))
ASSI { 207}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 43 and name HN ))
3.200 1.200 1.200 peak 207 spectrum 1 weight 0.10000E+01 volume 0.14234E-02 ppm1 9.039 ppm2 0.805 CV 1
OR { 207}
( segid "SH3 " and resid 55 and name HD1%)
(( segid "SH3 " and resid 43 and name HN ))
ASSI { 211}
(( segid "SH3 " and resid 17 and name HN ))
(( segid "SH3 " and resid 25 and name HN ))
4.300 2.300 1.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.49869E-03 ppm1 9.239 ppm2 8.043 CV 1
OR { 211}
(( segid "SH3 " and resid 16 and name HN ))
(( segid "SH3 " and resid 25 and name HN ))
ASSI { 229}
(( segid "SH3 " and resid 59 and name HB2 ))
(( segid "SH3 " and resid 61 and name HN ))
4.200 2.200 1.800 peak 229 spectrum 1 weight 0.10000E+01 volume 0.50838E-03 ppm1 7.513 ppm2 1.823 CV 1
OR { 229}
(( segid "SH3 " and resid 59 and name HG2 ))
(( segid "SH3 " and resid 61 and name HN ))
OR { 229}
(( segid "SH3 " and resid 56 and name HB ))
(( segid "SH3 " and resid 61 and name HN ))
ASSI { 233}
(( segid "SH3 " and resid 59 and name HB1 ))
(( segid "SH3 " and resid 61 and name HN ))
4.000 2.000 2.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.59456E-03 ppm1 7.508 ppm2 2.044 CV 1
OR { 233}
(( segid "SH3 " and resid 12 and name HG1 ))
(( segid "SH3 " and resid 61 and name HN ))
ASSI { 245}
(( segid "SH3 " and resid 12 and name HG2 ))
(( segid "SH3 " and resid 10 and name HN ))
4.200 2.200 1.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.30890E-03 ppm1 8.745 ppm2 1.887 CV 1
OR { 245}
(( segid "SH3 " and resid 8 and name HB1 ))
(( segid "SH3 " and resid 10 and name HN ))
OR { 245}
(( segid "SH3 " and resid 63 and name HB2 ))
(( segid "SH3 " and resid 10 and name HN ))
ASSI { 280}
(( segid "SH3 " and resid 20 and name HN ))
(( segid "SH3 " and resid 22 and name HN ))
4.700 2.700 1.300 peak 280 spectrum 1 weight 0.10000E+01 volume 0.25274E-03 ppm1 7.362 ppm2 8.686 CV 1
OR { 280}
(( segid "SH3 " and resid 18 and name HN ))
(( segid "SH3 " and resid 22 and name HN ))
ASSI { 298}
(( segid "SH3 " and resid 55 and name HB1 ))
(( segid "SH3 " and resid 55 and name HN ))
2.700 0.900 0.900 peak 298 spectrum 1 weight 0.10000E+01 volume 0.67493E-02 ppm1 8.896 ppm2 1.631 CV 1
OR { 298}
(( segid "SH3 " and resid 23 and name HB1 ))
(( segid "SH3 " and resid 55 and name HN ))
ASSI { 300}
( segid "SH3 " and resid 55 and name HD1%)
(( segid "SH3 " and resid 55 and name HN ))
3.300 1.400 1.400 peak 300 spectrum 1 weight 0.10000E+01 volume 0.15493E-02 ppm1 8.895 ppm2 0.805 CV 1
OR { 300}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 46 and name HN ))
ASSI { 301}
( segid "SH3 " and resid 55 and name HD2%)
(( segid "SH3 " and resid 55 and name HN ))
2.800 1.000 1.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.37281E-02 ppm1 8.896 ppm2 0.631 CV 1
OR { 301}
(( segid "SH3 " and resid 23 and name HB2 ))
(( segid "SH3 " and resid 55 and name HN ))
ASSI { 305}
(( segid "SH3 " and resid 45 and name HN ))
(( segid "SH3 " and resid 46 and name HN ))
3.700 1.700 1.700 peak 305 spectrum 1 weight 0.10000E+01 volume 0.89962E-03 ppm1 8.896 ppm2 9.156 CV 1
OR { 305}
(( segid "SH3 " and resid 45 and name HN ))
(( segid "SH3 " and resid 55 and name HN ))
ASSI { 312}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 46 and name HN ))
2.300 0.700 0.700 peak 312 spectrum 1 weight 0.10000E+01 volume 0.75046E-02 ppm1 8.897 ppm2 1.991 CV 1
OR { 312}
(( segid "SH3 " and resid 31 and name HB ))
(( segid "SH3 " and resid 46 and name HN ))
OR { 312}
(( segid "SH3 " and resid 46 and name HB2 ))
(( segid "SH3 " and resid 46 and name HN ))
ASSI { 327}
( segid "SH3 " and resid 24 and name HG2%)
(( segid "SH3 " and resid 15 and name HN ))
3.800 1.800 1.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.41057E-03 ppm1 8.543 ppm2 1.304 CV 1
OR { 327}
(( segid "SH3 " and resid 26 and name HG2 ))
(( segid "SH3 " and resid 15 and name HN ))
ASSI { 329}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 15 and name HN ))
3.700 1.700 1.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.87342E-03 ppm1 8.545 ppm2 0.840 CV 1
OR { 329}
( segid "SH3 " and resid 25 and name HG2%)
(( segid "SH3 " and resid 15 and name HN ))
ASSI { 338}
(( segid "SH3 " and resid 10 and name HG12))
(( segid "SH3 " and resid 30 and name HN ))
3.500 1.500 1.500 peak 338 spectrum 1 weight 0.10000E+01 volume 0.10071E-02 ppm1 8.088 ppm2 0.999 CV 1
OR { 338}
( segid "SH3 " and resid 47 and name HD2%)
(( segid "SH3 " and resid 30 and name HN ))
ASSI { 342}
( segid "SH3 " and resid 61 and name HD1%)
(( segid "SH3 " and resid 60 and name HN ))
3.600 1.600 1.600 peak 342 spectrum 1 weight 0.10000E+01 volume 0.44931E-03 ppm1 7.582 ppm2 0.654 CV 1
OR { 342}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 60 and name HN ))
ASSI { 346}
(( segid "SH3 " and resid 59 and name HB1 ))
(( segid "SH3 " and resid 60 and name HN ))
3.900 1.900 1.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.64007E-03 ppm1 7.580 ppm2 2.054 CV 1
OR { 346}
(( segid "SH3 " and resid 57 and name HD1 ))
(( segid "SH3 " and resid 60 and name HN ))
ASSI { 353}
(( segid "SH3 " and resid 58 and name HA ))
(( segid "SH3 " and resid 60 and name HN ))
3.500 1.500 1.500 peak 353 spectrum 1 weight 0.10000E+01 volume 0.10651E-02 ppm1 7.576 ppm2 2.256 CV 1
OR { 353}
(( segid "SH3 " and resid 61 and name HB ))
(( segid "SH3 " and resid 60 and name HN ))
ASSI { 361}
(( segid "SH3 " and resid 38 and name HG1 ))
(( segid "SH3 " and resid 37 and name HN ))
3.800 1.800 1.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.80368E-03 ppm1 8.508 ppm2 1.564 CV 1
OR { 361}
(( segid "SH3 " and resid 7 and name HD2 ))
(( segid "SH3 " and resid 37 and name HN ))
ASSI { 368}
(( segid "SH3 " and resid 31 and name HB ))
(( segid "SH3 " and resid 32 and name HN ))
2.400 0.700 0.700 peak 368 spectrum 1 weight 0.10000E+01 volume 0.64491E-02 ppm1 9.408 ppm2 1.998 CV 1
OR { 368}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 32 and name HN ))
ASSI { 383}
(( segid "SH3 " and resid 13 and name HB1 ))
(( segid "SH3 " and resid 14 and name HN ))
2.300 0.700 0.700 peak 383 spectrum 1 weight 0.10000E+01 volume 0.70301E-02 ppm1 7.603 ppm2 2.286 CV 1
OR { 383}
(( segid "SH3 " and resid 14 and name HB2 ))
(( segid "SH3 " and resid 14 and name HN ))
ASSI { 451}
(( segid "SH3 " and resid 12 and name HA ))
(( segid "SH3 " and resid 13 and name HN ))
3.400 1.500 1.500 peak 451 spectrum 1 weight 0.10000E+01 volume 0.16752E-02 ppm1 6.641 ppm2 4.108 CV 1
OR { 451}
(( segid "SH3 " and resid 11 and name HA ))
(( segid "SH3 " and resid 13 and name HN ))
ASSI { 466}
(( segid "SH3 " and resid 35 and name HB1 ))
(( segid "SH3 " and resid 35 and name HN ))
3.400 1.400 1.400 peak 466 spectrum 1 weight 0.10000E+01 volume 0.26630E-02 ppm1 7.577 ppm2 2.742 CV 1
OR { 466}
(( segid "SH3 " and resid 44 and name HB1 ))
(( segid "SH3 " and resid 35 and name HN ))
ASSI { 474}
(( segid "SH3 " and resid 41 and name HA ))
(( segid "SH3 " and resid 41 and name HN ))
2.700 0.900 0.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.33214E-02 ppm1 7.941 ppm2 4.393 CV 1
OR { 474}
(( segid "SH3 " and resid 40 and name HA ))
(( segid "SH3 " and resid 41 and name HN ))
ASSI { 489}
(( segid "SH3 " and resid 57 and name HD2 ))
(( segid "SH3 " and resid 56 and name HN ))
3.800 1.800 1.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.32826E-03 ppm1 8.919 ppm2 1.962 CV 1
OR { 489}
(( segid "SH3 " and resid 25 and name HG11))
(( segid "SH3 " and resid 56 and name HN ))
ASSI { 498}
(( segid "SH3 " and resid 21 and name HN ))
(( segid "SH3 " and resid 19 and name HN ))
3.700 1.700 1.700 peak 498 spectrum 1 weight 0.10000E+01 volume 0.78627E-03 ppm1 7.423 ppm2 8.085 CV 1
OR { 498}
(( segid "SH3 " and resid 17 and name HN ))
(( segid "SH3 " and resid 19 and name HN ))
ASSI { 515}
(( segid "SH3 " and resid 30 and name HG1 ))
(( segid "SH3 " and resid 31 and name HN ))
3.900 1.900 1.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.57423E-03 ppm1 8.367 ppm2 1.412 CV 1
OR { 515}
(( segid "SH3 " and resid 30 and name HG2 ))
(( segid "SH3 " and resid 31 and name HN ))
OR { 515}
(( segid "SH3 " and resid 10 and name HG11))
(( segid "SH3 " and resid 31 and name HN ))
ASSI { 516}
(( segid "SH3 " and resid 10 and name HG12))
(( segid "SH3 " and resid 31 and name HN ))
4.000 2.000 2.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.42800E-03 ppm1 8.368 ppm2 1.003 CV 1
OR { 516}
( segid "SH3 " and resid 47 and name HD2%)
(( segid "SH3 " and resid 31 and name HN ))
ASSI { 523}
(( segid "SH3 " and resid 12 and name HG1 ))
(( segid "SH3 " and resid 12 and name HE21))
3.800 1.800 1.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.56454E-03 ppm1 6.689 ppm2 2.049 CV 1
OR { 523}
(( segid "SH3 " and resid 62 and name HB1 ))
(( segid "SH3 " and resid 12 and name HE21))
ASSI { 529}
(( segid "SH3 " and resid 12 and name HG1 ))
(( segid "SH3 " and resid 12 and name HE22))
4.300 2.300 1.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.62458E-03 ppm1 6.537 ppm2 2.052 CV 1
OR { 529}
(( segid "SH3 " and resid 62 and name HB1 ))
(( segid "SH3 " and resid 12 and name HE22))
ASSI { 561}
(( segid "SH3 " and resid 37 and name HN ))
(( segid "SH3 " and resid 39 and name HN ))
3.300 1.300 1.300 peak 561 spectrum 1 weight 0.10000E+01 volume 0.15590E-02 ppm1 8.024 ppm2 8.495 CV 1
OR { 561}
(( segid "SH3 " and resid 40 and name HN ))
(( segid "SH3 " and resid 39 and name HN ))
ASSI { 564}
(( segid "SH3 " and resid 39 and name HB2 ))
(( segid "SH3 " and resid 39 and name HN ))
2.700 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.33698E-02 ppm1 8.025 ppm2 3.991 CV 1
OR { 564}
(( segid "SH3 " and resid 38 and name HA ))
(( segid "SH3 " and resid 39 and name HN ))
ASSI { 584}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 47 and name HN ))
3.200 1.200 1.200 peak 584 spectrum 1 weight 0.10000E+01 volume 0.22078E-02 ppm1 8.957 ppm2 0.673 CV 1
OR { 584}
( segid "SH3 " and resid 23 and name HD1%)
(( segid "SH3 " and resid 47 and name HN ))
ASSI { 597}
(( segid "SH3 " and resid 40 and name HB2 ))
(( segid "SH3 " and resid 43 and name HE1 ))
3.600 1.600 1.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.16462E-02 ppm1 9.614 ppm2 1.735 CV 1
OR { 597}
(( segid "SH3 " and resid 40 and name HB1 ))
(( segid "SH3 " and resid 43 and name HE1 ))
OR { 597}
(( segid "SH3 " and resid 36 and name HB1 ))
(( segid "SH3 " and resid 43 and name HE1 ))
ASSI { 601}
(( segid "SH3 " and resid 10 and name HN ))
(( segid "SH3 " and resid 11 and name HN ))
3.900 1.900 1.900 peak 601 spectrum 1 weight 0.10000E+01 volume 0.48804E-03 ppm1 9.001 ppm2 8.734 CV 1
OR { 601}
(( segid "SH3 " and resid 62 and name HN ))
(( segid "SH3 " and resid 11 and name HN ))
ASSI { 620}
(( segid "SH3 " and resid 51 and name HA2 ))
(( segid "SH3 " and resid 51 and name HN ))
2.400 0.700 0.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.56164E-02 ppm1 7.872 ppm2 3.839 CV 1
OR { 620}
(( segid "SH3 " and resid 50 and name HB2 ))
(( segid "SH3 " and resid 51 and name HN ))
ASSI { 623}
(( segid "SH3 " and resid 52 and name HB2 ))
(( segid "SH3 " and resid 51 and name HN ))
4.500 2.500 1.500 peak 623 spectrum 1 weight 0.10000E+01 volume 0.42607E-03 ppm1 7.871 ppm2 1.643 CV 1
OR { 623}
(( segid "SH3 " and resid 47 and name HG ))
(( segid "SH3 " and resid 51 and name HN ))
ASSI { 629}
(( segid "SH3 " and resid 45 and name HG ))
(( segid "SH3 " and resid 34 and name HN ))
4.600 2.600 1.400 peak 629 spectrum 1 weight 0.10000E+01 volume 0.22756E-03 ppm1 8.731 ppm2 1.819 CV 1
OR { 629}
(( segid "SH3 " and resid 7 and name HB2 ))
(( segid "SH3 " and resid 34 and name HN ))
ASSI { 637}
(( segid "SH3 " and resid 44 and name HB1 ))
(( segid "SH3 " and resid 34 and name HN ))
4.200 2.200 1.800 peak 637 spectrum 1 weight 0.10000E+01 volume 0.57229E-03 ppm1 8.730 ppm2 2.717 CV 1
OR { 637}
(( segid "SH3 " and resid 45 and name HB1 ))
(( segid "SH3 " and resid 34 and name HN ))
ASSI { 652}
(( segid "SH3 " and resid 61 and name HB ))
(( segid "SH3 " and resid 62 and name HN ))
4.000 2.000 2.000 peak 652 spectrum 1 weight 0.10000E+01 volume 0.66815E-03 ppm1 8.725 ppm2 2.260 CV 1
OR { 652}
(( segid "SH3 " and resid 11 and name HB ))
(( segid "SH3 " and resid 62 and name HN ))
ASSI { 657}
(( segid "SH3 " and resid 12 and name HB2 ))
(( segid "SH3 " and resid 62 and name HN ))
4.100 2.100 1.900 peak 657 spectrum 1 weight 0.10000E+01 volume 0.51612E-03 ppm1 8.724 ppm2 1.372 CV 1
OR { 657}
(( segid "SH3 " and resid 10 and name HG11))
(( segid "SH3 " and resid 62 and name HN ))
OR { 657}
(( segid "SH3 " and resid 12 and name HB1 ))
(( segid "SH3 " and resid 62 and name HN ))
ASSI { 659}
(( segid "SH3 " and resid 16 and name HG2 ))
(( segid "SH3 " and resid 16 and name HN ))
4.000 2.000 2.000 peak 659 spectrum 1 weight 0.10000E+01 volume 0.43091E-03 ppm1 8.024 ppm2 2.405 CV 1
OR { 659}
(( segid "SH3 " and resid 16 and name HG1 ))
(( segid "SH3 " and resid 16 and name HN ))
OR { 659}
(( segid "SH3 " and resid 16 and name HG2 ))
(( segid "SH3 " and resid 17 and name HN ))
ASSI { 663}
(( segid "SH3 " and resid 66 and name HN ))
(( segid "SH3 " and resid 65 and name HN ))
3.800 1.800 1.800 peak 663 spectrum 1 weight 0.10000E+01 volume 0.51322E-03 ppm1 8.463 ppm2 8.252 CV 1
OR { 663}
(( segid "SH3 " and resid 64 and name HN ))
(( segid "SH3 " and resid 65 and name HN ))
ASSI { 677}
(( segid "SH3 " and resid 36 and name HB1 ))
(( segid "SH3 " and resid 36 and name HN ))
2.900 1.100 1.100 peak 677 spectrum 1 weight 0.10000E+01 volume 0.26533E-02 ppm1 8.073 ppm2 1.761 CV 1
OR { 677}
(( segid "SH3 " and resid 37 and name HB2 ))
(( segid "SH3 " and resid 36 and name HN ))
OR { 677}
(( segid "SH3 " and resid 37 and name HB1 ))
(( segid "SH3 " and resid 36 and name HN ))
ASSI { 685}
(( segid "SH3 " and resid 12 and name HE21))
(( segid "SH3 " and resid 62 and name HN ))
4.600 2.600 1.400 peak 685 spectrum 1 weight 0.10000E+01 volume 0.17430E-03 ppm1 8.725 ppm2 6.675 CV 1
OR { 685}
(( segid "SH3 " and resid 13 and name HN ))
(( segid "SH3 " and resid 62 and name HN ))
ASSI { 696}
(( segid "SH3 " and resid 22 and name HN ))
(( segid "SH3 " and resid 55 and name HN ))
4.500 2.500 1.500 peak 696 spectrum 1 weight 0.10000E+01 volume 0.29922E-03 ppm1 8.893 ppm2 7.370 CV 1
OR { 696}
( segid "SH3 " and resid 15 and name HE% )
(( segid "SH3 " and resid 55 and name HN ))
OR { 696}
(( segid "SH3 " and resid 46 and name HE21))
(( segid "SH3 " and resid 46 and name HN ))
ASSI { 697}
(( segid "SH3 " and resid 55 and name HA ))
(( segid "SH3 " and resid 55 and name HN ))
2.500 0.800 0.800 peak 697 spectrum 1 weight 0.10000E+01 volume 0.41542E-02 ppm1 8.898 ppm2 5.195 CV 1
OR { 697}
(( segid "SH3 " and resid 46 and name HA ))
(( segid "SH3 " and resid 46 and name HN ))
ASSI { 9}
( segid "SH3 " and resid 34 and name HD1%)
( segid "SH3 " and resid 44 and name HE% )
2.900 1.000 1.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.22959E-02 ppm1 2.086 ppm2 0.823 CV 1
OR { 9}
( segid "SH3 " and resid 55 and name HD1%)
( segid "SH3 " and resid 44 and name HE% )
ASSI { 15}
(( segid "SH3 " and resid 62 and name HB1 ))
( segid "SH3 " and resid 10 and name HG2%)
3.600 1.600 1.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.62437E-03 ppm1 0.766 ppm2 2.055 CV 1
OR { 15}
(( segid "SH3 " and resid 12 and name HG1 ))
( segid "SH3 " and resid 10 and name HG2%)
ASSI { 16}
(( segid "SH3 " and resid 62 and name HB2 ))
( segid "SH3 " and resid 10 and name HG2%)
4.000 2.000 2.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.19326E-03 ppm1 0.767 ppm2 1.740 CV 1
OR { 16}
(( segid "SH3 " and resid 30 and name HB1 ))
( segid "SH3 " and resid 10 and name HG2%)
ASSI { 46}
( segid "SH3 " and resid 64 and name HG2%)
(( segid "SH3 " and resid 9 and name HA2 ))
3.200 1.200 1.200 peak 46 spectrum 1 weight 0.10000E+01 volume 0.16683E-02 ppm1 3.275 ppm2 0.845 CV 1
OR { 46}
( segid "SH3 " and resid 64 and name HG1%)
(( segid "SH3 " and resid 9 and name HA2 ))
OR { 46}
(( segid "SH3 " and resid 33 and name HG12))
(( segid "SH3 " and resid 9 and name HA2 ))
ASSI { 68}
(( segid "SH3 " and resid 63 and name HB1 ))
( segid "SH3 " and resid 33 and name HD1%)
2.800 1.000 1.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.21308E-02 ppm1 0.641 ppm2 2.252 CV 1
OR { 68}
(( segid "SH3 " and resid 61 and name HB ))
( segid "SH3 " and resid 33 and name HD1%)
OR { 68}
(( segid "SH3 " and resid 63 and name HG1 ))
( segid "SH3 " and resid 33 and name HD1%)
ASSI { 69}
(( segid "SH3 " and resid 63 and name HG2 ))
( segid "SH3 " and resid 33 and name HD1%)
3.400 1.400 1.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.16023E-02 ppm1 0.639 ppm2 1.945 CV 1
OR { 69}
(( segid "SH3 " and resid 8 and name HB1 ))
( segid "SH3 " and resid 33 and name HD1%)
ASSI { 84}
(( segid "SH3 " and resid 8 and name HG1 ))
(( segid "SH3 " and resid 8 and name HD2 ))
2.500 0.800 0.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.52692E-02 ppm1 3.148 ppm2 1.783 CV 1
OR { 84}
(( segid "SH3 " and resid 65 and name HB1 ))
(( segid "SH3 " and resid 65 and name HD2 ))
OR { 84}
(( segid "SH3 " and resid 8 and name HB2 ))
(( segid "SH3 " and resid 8 and name HD2 ))
ASSI { 101}
(( segid "SH3 " and resid 10 and name HA ))
( segid "SH3 " and resid 10 and name HD1%)
3.400 1.400 1.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.18830E-02 ppm1 0.795 ppm2 4.887 CV 1
OR { 101}
(( segid "SH3 " and resid 30 and name HA ))
( segid "SH3 " and resid 10 and name HD1%)
ASSI { 113}
(( segid "SH3 " and resid 47 and name HG ))
(( segid "SH3 " and resid 47 and name HB2 ))
1.700 0.400 0.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.35348E-01 ppm1 1.849 ppm2 1.663 CV 1
OR { 113}
(( segid "SH3 " and resid 47 and name HG ))
(( segid "SH3 " and resid 47 and name HB1 ))
OR { 113}
(( segid "SH3 " and resid 52 and name HB2 ))
(( segid "SH3 " and resid 47 and name HB2 ))
ASSI { 118}
( segid "SH3 " and resid 48 and name HG1%)
(( segid "SH3 " and resid 30 and name HE1 ))
3.500 1.500 1.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.46085E-03 ppm1 2.951 ppm2 0.629 CV 1
OR { 118}
( segid "SH3 " and resid 48 and name HG1%)
(( segid "SH3 " and resid 30 and name HE2 ))
OR { 118}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 30 and name HE1 ))
OR { 118}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 30 and name HE2 ))
OR { 118}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 37 and name HE2 ))
OR { 118}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 37 and name HE1 ))
ASSI { 137}
(( segid "SH3 " and resid 6 and name HB2 ))
(( segid "SH3 " and resid 6 and name HE1 ))
4.200 2.200 1.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.31549E-03 ppm1 2.582 ppm2 1.428 CV 1
OR { 137}
(( segid "SH3 " and resid 68 and name HB2 ))
(( segid "SH3 " and resid 68 and name HE1 ))
OR { 137}
(( segid "SH3 " and resid 68 and name HB2 ))
(( segid "SH3 " and resid 68 and name HE2 ))
OR { 137}
(( segid "SH3 " and resid 6 and name HB2 ))
(( segid "SH3 " and resid 6 and name HE2 ))
ASSI { 138}
(( segid "SH3 " and resid 68 and name HD2 ))
(( segid "SH3 " and resid 68 and name HE2 ))
2.800 1.000 1.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 2.585 ppm2 1.148 CV 1
OR { 138}
(( segid "SH3 " and resid 68 and name HD2 ))
(( segid "SH3 " and resid 68 and name HE1 ))
OR { 138}
(( segid "SH3 " and resid 6 and name HG1 ))
(( segid "SH3 " and resid 6 and name HE1 ))
OR { 138}
(( segid "SH3 " and resid 6 and name HG1 ))
(( segid "SH3 " and resid 6 and name HE2 ))
OR { 138}
(( segid "SH3 " and resid 6 and name HG2 ))
(( segid "SH3 " and resid 6 and name HE1 ))
OR { 138}
(( segid "SH3 " and resid 6 and name HG2 ))
(( segid "SH3 " and resid 6 and name HE2 ))
ASSI { 141}
( segid "SH3 " and resid 47 and name HD2%)
(( segid "SH3 " and resid 29 and name HB2 ))
2.800 1.000 1.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.36669E-02 ppm1 2.315 ppm2 1.012 CV 1
OR { 141}
( segid "SH3 " and resid 25 and name HD1%)
(( segid "SH3 " and resid 29 and name HB2 ))
ASSI { 157}
(( segid "SH3 " and resid 56 and name HB ))
( segid "SH3 " and resid 61 and name HD1%)
3.700 1.700 1.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.56987E-03 ppm1 0.645 ppm2 1.806 CV 1
OR { 157}
(( segid "SH3 " and resid 45 and name HG ))
( segid "SH3 " and resid 61 and name HD1%)
ASSI { 221}
(( segid "SH3 " and resid 46 and name HG1 ))
(( segid "SH3 " and resid 53 and name HB2 ))
3.200 1.300 1.300 peak 221 spectrum 1 weight 0.10000E+01 volume 0.15642E-02 ppm1 3.653 ppm2 2.074 CV 1
OR { 221}
( segid "SH3 " and resid 44 and name HE% )
(( segid "SH3 " and resid 53 and name HB2 ))
ASSI { 234}
(( segid "SH3 " and resid 18 and name HG1 ))
(( segid "SH3 " and resid 18 and name HG2 ))
1.300 0.200 0.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.18500E+00 ppm1 2.162 ppm2 2.248 CV 1
OR { 234}
(( segid "SH3 " and resid 22 and name HG1 ))
(( segid "SH3 " and resid 22 and name HG2 ))
ASSI { 246}
(( segid "SH3 " and resid 22 and name HA ))
(( segid "SH3 " and resid 22 and name HG2 ))
2.600 0.900 0.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.35514E-02 ppm1 2.128 ppm2 5.106 CV 1
OR { 246}
(( segid "SH3 " and resid 62 and name HA ))
(( segid "SH3 " and resid 62 and name HG2 ))
OR { 246}
(( segid "SH3 " and resid 62 and name HA ))
(( segid "SH3 " and resid 62 and name HG1 ))
ASSI { 248}
( segid "SH3 " and resid 10 and name HD1%)
(( segid "SH3 " and resid 62 and name HG1 ))
3.400 1.400 1.400 peak 248 spectrum 1 weight 0.10000E+01 volume 0.84073E-03 ppm1 2.128 ppm2 0.800 CV 1
OR { 248}
( segid "SH3 " and resid 55 and name HD1%)
(( segid "SH3 " and resid 22 and name HG2 ))
OR { 248}
( segid "SH3 " and resid 10 and name HD1%)
(( segid "SH3 " and resid 62 and name HG2 ))
OR { 248}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 62 and name HG1 ))
OR { 248}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 62 and name HG2 ))
ASSI { 255}
(( segid "SH3 " and resid 18 and name HB1 ))
(( segid "SH3 " and resid 19 and name HB2 ))
3.600 1.700 1.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.69375E-03 ppm1 3.646 ppm2 2.136 CV 1
OR { 255}
(( segid "SH3 " and resid 18 and name HG2 ))
(( segid "SH3 " and resid 19 and name HB2 ))
OR { 255}
(( segid "SH3 " and resid 20 and name HB2 ))
(( segid "SH3 " and resid 19 and name HB2 ))
ASSI { 285}
(( segid "SH3 " and resid 68 and name HA ))
(( segid "SH3 " and resid 68 and name HB2 ))
3.400 1.400 1.400 peak 285 spectrum 1 weight 0.10000E+01 volume 0.84409E-03 ppm1 1.431 ppm2 4.262 CV 1
OR { 285}
(( segid "SH3 " and resid 6 and name HA ))
(( segid "SH3 " and resid 6 and name HB2 ))
ASSI { 286}
(( segid "SH3 " and resid 68 and name HB1 ))
(( segid "SH3 " and resid 68 and name HB2 ))
1.700 0.300 0.500 peak 286 spectrum 1 weight 0.10000E+01 volume 0.32871E-01 ppm1 1.430 ppm2 1.560 CV 1
OR { 286}
(( segid "SH3 " and resid 6 and name HB1 ))
(( segid "SH3 " and resid 6 and name HB2 ))
ASSI { 295}
( segid "SH3 " and resid 64 and name HG2%)
(( segid "SH3 " and resid 8 and name HB1 ))
2.700 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.40303E-02 ppm1 1.913 ppm2 0.841 CV 1
OR { 295}
( segid "SH3 " and resid 64 and name HG1%)
(( segid "SH3 " and resid 8 and name HB1 ))
OR { 295}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 12 and name HG2 ))
ASSI { 298}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 7 and name HB1 ))
2.600 0.900 0.900 peak 298 spectrum 1 weight 0.10000E+01 volume 0.40634E-02 ppm1 1.806 ppm2 0.637 CV 1
OR { 298}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 7 and name HB2 ))
OR { 298}
( segid "SH3 " and resid 61 and name HD1%)
(( segid "SH3 " and resid 56 and name HB ))
ASSI { 299}
( segid "SH3 " and resid 33 and name HG2%)
(( segid "SH3 " and resid 7 and name HB1 ))
3.500 1.500 1.500 peak 299 spectrum 1 weight 0.10000E+01 volume 0.96630E-03 ppm1 1.804 ppm2 0.332 CV 1
OR { 299}
(( segid "SH3 " and resid 57 and name HB2 ))
(( segid "SH3 " and resid 59 and name HG2 ))
OR { 299}
( segid "SH3 " and resid 33 and name HG2%)
(( segid "SH3 " and resid 7 and name HB2 ))
ASSI { 308}
( segid "SH3 " and resid 56 and name HG1%)
(( segid "SH3 " and resid 45 and name HB1 ))
3.700 1.700 1.700 peak 308 spectrum 1 weight 0.10000E+01 volume 0.10257E-02 ppm1 2.723 ppm2 1.180 CV 1
OR { 308}
(( segid "SH3 " and resid 61 and name HG12))
(( segid "SH3 " and resid 45 and name HB1 ))
ASSI { 309}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 45 and name HB2 ))
3.100 1.200 1.200 peak 309 spectrum 1 weight 0.10000E+01 volume 0.24116E-02 ppm1 2.677 ppm2 0.674 CV 1
OR { 309}
( segid "SH3 " and resid 61 and name HG2%)
(( segid "SH3 " and resid 45 and name HB2 ))
ASSI { 313}
( segid "SH3 " and resid 23 and name HD2%)
(( segid "SH3 " and resid 45 and name HB2 ))
3.000 1.100 1.100 peak 313 spectrum 1 weight 0.10000E+01 volume 0.23125E-02 ppm1 2.675 ppm2 0.573 CV 1
OR { 313}
( segid "SH3 " and resid 31 and name HG2%)
(( segid "SH3 " and resid 45 and name HB2 ))
ASSI { 331}
(( segid "SH3 " and resid 67 and name HA ))
(( segid "SH3 " and resid 67 and name HB2 ))
2.800 1.000 1.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 1.692 ppm2 4.251 CV 1
OR { 331}
(( segid "SH3 " and resid 4 and name HA ))
(( segid "SH3 " and resid 4 and name HB2 ))
ASSI { 336}
( segid "SH3 " and resid 64 and name HG2%)
(( segid "SH3 " and resid 63 and name HA ))
3.400 1.400 1.400 peak 336 spectrum 1 weight 0.10000E+01 volume 0.74660E-03 ppm1 4.670 ppm2 0.844 CV 1
OR { 336}
( segid "SH3 " and resid 64 and name HG1%)
(( segid "SH3 " and resid 63 and name HA ))
OR { 336}
(( segid "SH3 " and resid 33 and name HG12))
(( segid "SH3 " and resid 63 and name HA ))
ASSI { 343}
(( segid "SH3 " and resid 43 and name HE3 ))
(( segid "SH3 " and resid 43 and name HB1 ))
3.400 1.400 1.400 peak 343 spectrum 1 weight 0.10000E+01 volume 0.10555E-02 ppm1 2.926 ppm2 -1.036 CV 1
OR { 343}
(( segid "SH3 " and resid 42 and name HD1 ))
(( segid "SH3 " and resid 42 and name HB1 ))
ASSI { 354}
( segid "SH3 " and resid 55 and name HD1%)
(( segid "SH3 " and resid 44 and name HG1 ))
3.100 1.200 1.200 peak 354 spectrum 1 weight 0.10000E+01 volume 0.24612E-02 ppm1 2.192 ppm2 0.822 CV 1
OR { 354}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 44 and name HG1 ))
ASSI { 356}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 44 and name HB1 ))
2.800 0.900 0.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.25107E-02 ppm1 2.740 ppm2 0.812 CV 1
OR { 356}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 43 and name HB2 ))
ASSI { 360}
(( segid "SH3 " and resid 17 and name HA ))
(( segid "SH3 " and resid 22 and name HB2 ))
3.100 1.200 1.200 peak 360 spectrum 1 weight 0.10000E+01 volume 0.17839E-02 ppm1 2.248 ppm2 3.814 CV 1
OR { 360}
(( segid "SH3 " and resid 63 and name HD2 ))
(( segid "SH3 " and resid 63 and name HB1 ))
ASSI { 362}
(( segid "SH3 " and resid 44 and name HB1 ))
(( segid "SH3 " and resid 44 and name HG1 ))
2.400 0.700 0.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.92001E-02 ppm1 2.188 ppm2 2.743 CV 1
OR { 362}
(( segid "SH3 " and resid 35 and name HB1 ))
(( segid "SH3 " and resid 44 and name HG1 ))
ASSI { 363}
(( segid "SH3 " and resid 44 and name HB1 ))
(( segid "SH3 " and resid 44 and name HG2 ))
2.300 0.700 0.700 peak 363 spectrum 1 weight 0.10000E+01 volume 0.73669E-02 ppm1 2.118 ppm2 2.743 CV 1
OR { 363}
(( segid "SH3 " and resid 35 and name HB1 ))
(( segid "SH3 " and resid 44 and name HG2 ))
ASSI { 364}
( segid "SH3 " and resid 55 and name HD1%)
(( segid "SH3 " and resid 44 and name HG2 ))
3.100 1.200 1.200 peak 364 spectrum 1 weight 0.10000E+01 volume 0.11975E-02 ppm1 2.120 ppm2 0.818 CV 1
OR { 364}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 46 and name HG1 ))
ASSI { 374}
(( segid "SH3 " and resid 40 and name HG2 ))
(( segid "SH3 " and resid 40 and name HB2 ))
2.100 0.500 0.500 peak 374 spectrum 1 weight 0.10000E+01 volume 0.16848E-01 ppm1 1.774 ppm2 1.456 CV 1
OR { 374}
(( segid "SH3 " and resid 67 and name HG1 ))
(( segid "SH3 " and resid 67 and name HB1 ))
OR { 374}
(( segid "SH3 " and resid 40 and name HG1 ))
(( segid "SH3 " and resid 40 and name HB2 ))
OR { 374}
(( segid "SH3 " and resid 40 and name HG2 ))
(( segid "SH3 " and resid 40 and name HB1 ))
ASSI { 386}
(( segid "SH3 " and resid 61 and name HG11))
(( segid "SH3 " and resid 43 and name HB2 ))
4.000 2.000 2.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.63924E-03 ppm1 2.739 ppm2 1.472 CV 1
OR { 386}
(( segid "SH3 " and resid 34 and name HB1 ))
(( segid "SH3 " and resid 44 and name HB1 ))
OR { 386}
(( segid "SH3 " and resid 34 and name HG ))
(( segid "SH3 " and resid 44 and name HB1 ))
ASSI { 392}
(( segid "SH3 " and resid 63 and name HD1 ))
(( segid "SH3 " and resid 63 and name HB1 ))
3.900 1.900 1.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.68879E-03 ppm1 2.248 ppm2 4.196 CV 1
OR { 392}
(( segid "SH3 " and resid 34 and name HA ))
(( segid "SH3 " and resid 44 and name HB2 ))
ASSI { 413}
(( segid "SH3 " and resid 33 and name HB ))
(( segid "SH3 " and resid 33 and name HA ))
3.100 1.200 1.200 peak 413 spectrum 1 weight 0.10000E+01 volume 0.16105E-02 ppm1 4.316 ppm2 1.473 CV 1
OR { 413}
(( segid "SH3 " and resid 34 and name HG ))
(( segid "SH3 " and resid 33 and name HA ))
ASSI { 421}
(( segid "SH3 " and resid 58 and name HN ))
(( segid "SH3 " and resid 57 and name HA ))
3.100 3.100 2.900 peak 421 spectrum 1 weight 0.10000E+01 volume 0.11530E-02 ppm1 3.161 ppm2 0.031 CV 1
OR { 421}
(( segid "SH3 " and resid 57 and name HG2 ))
(( segid "SH3 " and resid 57 and name HA ))
ASSI { 451}
(( segid "SH3 " and resid 59 and name HG2 ))
(( segid "SH3 " and resid 57 and name HB1 ))
3.900 1.900 1.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.53187E-03 ppm1 0.922 ppm2 1.815 CV 1
OR { 451}
(( segid "SH3 " and resid 59 and name HB2 ))
(( segid "SH3 " and resid 57 and name HB1 ))
OR { 451}
(( segid "SH3 " and resid 56 and name HB ))
(( segid "SH3 " and resid 57 and name HB1 ))
ASSI { 454}
(( segid "SH3 " and resid 69 and name HE2 ))
(( segid "SH3 " and resid 69 and name HD2 ))
3.000 3.000 3.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.20317E-02 ppm1 0.914 ppm2 0.029 CV 1
OR { 454}
(( segid "SH3 " and resid 57 and name HG2 ))
(( segid "SH3 " and resid 57 and name HB1 ))
OR { 454}
(( segid "SH3 " and resid 58 and name HN ))
(( segid "SH3 " and resid 57 and name HB1 ))
OR { 454}
(( segid "SH3 " and resid 59 and name HN ))
(( segid "SH3 " and resid 57 and name HB1 ))
ASSI { 459}
( segid "SH3 " and resid 24 and name HG2%)
(( segid "SH3 " and resid 25 and name HA ))
3.600 1.600 1.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.69870E-03 ppm1 4.816 ppm2 1.310 CV 1
OR { 459}
(( segid "SH3 " and resid 23 and name HG ))
(( segid "SH3 " and resid 25 and name HA ))
OR { 459}
(( segid "SH3 " and resid 26 and name HG1 ))
(( segid "SH3 " and resid 25 and name HA ))
ASSI { 461}
( segid "SH3 " and resid 47 and name HD2%)
(( segid "SH3 " and resid 25 and name HA ))
3.200 1.300 1.300 peak 461 spectrum 1 weight 0.10000E+01 volume 0.14965E-02 ppm1 4.816 ppm2 1.009 CV 1
OR { 461}
( segid "SH3 " and resid 25 and name HD1%)
(( segid "SH3 " and resid 25 and name HA ))
ASSI { 499}
(( segid "SH3 " and resid 8 and name HG1 ))
(( segid "SH3 " and resid 8 and name HG2 ))
1.300 0.200 0.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.13248E+00 ppm1 1.610 ppm2 1.781 CV 1
OR { 499}
(( segid "SH3 " and resid 37 and name HB1 ))
(( segid "SH3 " and resid 37 and name HD1 ))
OR { 499}
(( segid "SH3 " and resid 37 and name HB1 ))
(( segid "SH3 " and resid 37 and name HD2 ))
OR { 499}
(( segid "SH3 " and resid 8 and name HB2 ))
(( segid "SH3 " and resid 8 and name HG2 ))
OR { 499}
(( segid "SH3 " and resid 4 and name HB1 ))
(( segid "SH3 " and resid 4 and name HD2 ))
ASSI { 511}
(( segid "SH3 " and resid 3 and name HB2 ))
(( segid "SH3 " and resid 3 and name HA ))
2.600 0.900 0.900 peak 511 spectrum 1 weight 0.10000E+01 volume 0.36835E-02 ppm1 4.355 ppm2 3.764 CV 1
OR { 511}
(( segid "SH3 " and resid 5 and name HB1 ))
(( segid "SH3 " and resid 5 and name HA ))
OR { 511}
(( segid "SH3 " and resid 3 and name HB1 ))
(( segid "SH3 " and resid 3 and name HA ))
OR { 511}
(( segid "SH3 " and resid 5 and name HB2 ))
(( segid "SH3 " and resid 5 and name HA ))
ASSI { 513}
(( segid "SH3 " and resid 19 and name HA ))
(( segid "SH3 " and resid 20 and name HA ))
4.200 2.200 1.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.29401E-03 ppm1 4.190 ppm2 4.629 CV 1
OR { 513}
(( segid "SH3 " and resid 21 and name HA ))
(( segid "SH3 " and resid 20 and name HA ))
ASSI { 534}
( segid "SH3 " and resid 23 and name HD1%)
(( segid "SH3 " and resid 47 and name HG ))
3.300 1.400 1.400 peak 534 spectrum 1 weight 0.10000E+01 volume 0.10737E-02 ppm1 1.659 ppm2 0.700 CV 1
OR { 534}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 47 and name HG ))
ASSI { 540}
(( segid "SH3 " and resid 10 and name HA ))
(( segid "SH3 " and resid 10 and name HG12))
3.100 1.200 1.200 peak 540 spectrum 1 weight 0.10000E+01 volume 0.10935E-02 ppm1 1.020 ppm2 4.885 CV 1
OR { 540}
(( segid "SH3 " and resid 30 and name HA ))
(( segid "SH3 " and resid 10 and name HG12))
ASSI { 583}
(( segid "SH3 " and resid 47 and name HG ))
( segid "SH3 " and resid 47 and name HD1%)
2.400 0.700 0.700 peak 583 spectrum 1 weight 0.10000E+01 volume 0.50049E-02 ppm1 1.102 ppm2 1.652 CV 1
OR { 583}
(( segid "SH3 " and resid 52 and name HB2 ))
( segid "SH3 " and resid 47 and name HD1%)
ASSI { 587}
( segid "SH3 " and resid 23 and name HD1%)
(( segid "SH3 " and resid 53 and name HA ))
3.800 1.800 1.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.59629E-03 ppm1 -0.361 ppm2 0.696 CV 1
OR { 587}
(( segid "SH3 " and resid 23 and name HB2 ))
(( segid "SH3 " and resid 53 and name HA ))
OR { 587}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 53 and name HA ))
ASSI { 609}
(( segid "SH3 " and resid 37 and name HD1 ))
(( segid "SH3 " and resid 37 and name HA ))
2.800 1.000 1.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.42121E-02 ppm1 4.382 ppm2 1.580 CV 1
OR { 609}
(( segid "SH3 " and resid 37 and name HD2 ))
(( segid "SH3 " and resid 37 and name HA ))
OR { 609}
(( segid "SH3 " and resid 8 and name HG2 ))
(( segid "SH3 " and resid 7 and name HA ))
ASSI { 610}
(( segid "SH3 " and resid 7 and name HG2 ))
(( segid "SH3 " and resid 7 and name HA ))
2.300 0.700 0.700 peak 610 spectrum 1 weight 0.10000E+01 volume 0.69044E-02 ppm1 4.377 ppm2 1.363 CV 1
OR { 610}
(( segid "SH3 " and resid 37 and name HG2 ))
(( segid "SH3 " and resid 37 and name HA ))
ASSI { 617}
(( segid "SH3 " and resid 34 and name HB2 ))
(( segid "SH3 " and resid 34 and name HA ))
2.400 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.76481E-02 ppm1 4.227 ppm2 1.375 CV 1
OR { 617}
(( segid "SH3 " and resid 4 and name HG1 ))
(( segid "SH3 " and resid 4 and name HA ))
OR { 617}
(( segid "SH3 " and resid 67 and name HG2 ))
(( segid "SH3 " and resid 67 and name HA ))
OR { 617}
(( segid "SH3 " and resid 4 and name HG2 ))
(( segid "SH3 " and resid 4 and name HA ))
ASSI { 632}
(( segid "SH3 " and resid 6 and name HG1 ))
(( segid "SH3 " and resid 6 and name HA ))
2.600 0.900 0.900 peak 632 spectrum 1 weight 0.10000E+01 volume 0.37165E-02 ppm1 4.266 ppm2 1.166 CV 1
OR { 632}
(( segid "SH3 " and resid 6 and name HG2 ))
(( segid "SH3 " and resid 6 and name HA ))
OR { 632}
(( segid "SH3 " and resid 68 and name HG1 ))
(( segid "SH3 " and resid 68 and name HA ))
OR { 632}
(( segid "SH3 " and resid 68 and name HG2 ))
(( segid "SH3 " and resid 68 and name HA ))
ASSI { 633}
(( segid "SH3 " and resid 6 and name HB1 ))
(( segid "SH3 " and resid 6 and name HA ))
2.500 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.48067E-02 ppm1 4.263 ppm2 1.561 CV 1
OR { 633}
(( segid "SH3 " and resid 68 and name HB1 ))
(( segid "SH3 " and resid 68 and name HA ))
ASSI { 648}
(( segid "SH3 " and resid 13 and name HB1 ))
(( segid "SH3 " and resid 13 and name HA ))
2.300 0.600 0.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.88205E-02 ppm1 4.510 ppm2 2.302 CV 1
OR { 648}
(( segid "SH3 " and resid 29 and name HB2 ))
(( segid "SH3 " and resid 29 and name HA ))
ASSI { 684}
(( segid "SH3 " and resid 38 and name HA ))
(( segid "SH3 " and resid 38 and name HG1 ))
3.300 1.400 1.400 peak 684 spectrum 1 weight 0.10000E+01 volume 0.78291E-03 ppm1 1.530 ppm2 3.988 CV 1
OR { 684}
(( segid "SH3 " and resid 50 and name HB1 ))
(( segid "SH3 " and resid 52 and name HG1 ))
ASSI { 688}
(( segid "SH3 " and resid 38 and name HE2 ))
(( segid "SH3 " and resid 38 and name HG2 ))
3.200 1.300 1.300 peak 688 spectrum 1 weight 0.10000E+01 volume 0.12537E-02 ppm1 1.411 ppm2 2.948 CV 1
OR { 688}
(( segid "SH3 " and resid 38 and name HE1 ))
(( segid "SH3 " and resid 38 and name HG2 ))
OR { 688}
(( segid "SH3 " and resid 30 and name HE2 ))
(( segid "SH3 " and resid 30 and name HG2 ))
OR { 688}
(( segid "SH3 " and resid 30 and name HE1 ))
(( segid "SH3 " and resid 30 and name HG1 ))
OR { 688}
(( segid "SH3 " and resid 30 and name HE2 ))
(( segid "SH3 " and resid 30 and name HG1 ))
ASSI { 703}
(( segid "SH3 " and resid 45 and name HB2 ))
( segid "SH3 " and resid 23 and name HD2%)
3.100 1.200 1.200 peak 703 spectrum 1 weight 0.10000E+01 volume 0.13049E-02 ppm1 0.589 ppm2 2.697 CV 1
OR { 703}
(( segid "SH3 " and resid 45 and name HB1 ))
( segid "SH3 " and resid 23 and name HD2%)
OR { 703}
(( segid "SH3 " and resid 44 and name HB1 ))
( segid "SH3 " and resid 55 and name HD2%)
ASSI { 704}
(( segid "SH3 " and resid 47 and name HB2 ))
( segid "SH3 " and resid 23 and name HD2%)
3.500 1.600 1.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.13148E-02 ppm1 0.585 ppm2 1.834 CV 1
OR { 704}
(( segid "SH3 " and resid 52 and name HB1 ))
( segid "SH3 " and resid 23 and name HD2%)
OR { 704}
(( segid "SH3 " and resid 47 and name HB1 ))
( segid "SH3 " and resid 23 and name HD2%)
ASSI { 705}
(( segid "SH3 " and resid 47 and name HG ))
( segid "SH3 " and resid 23 and name HD2%)
2.200 0.600 0.600 peak 705 spectrum 1 weight 0.10000E+01 volume 0.76312E-02 ppm1 0.587 ppm2 1.653 CV 1
OR { 705}
(( segid "SH3 " and resid 23 and name HB1 ))
( segid "SH3 " and resid 23 and name HD2%)
ASSI { 712}
(( segid "SH3 " and resid 55 and name HB1 ))
(( segid "SH3 " and resid 22 and name HA ))
2.900 1.100 1.100 peak 712 spectrum 1 weight 0.10000E+01 volume 0.28576E-02 ppm1 5.081 ppm2 1.645 CV 1
OR { 712}
(( segid "SH3 " and resid 23 and name HB1 ))
(( segid "SH3 " and resid 22 and name HA ))
ASSI { 716}
( segid "SH3 " and resid 55 and name HD1%)
(( segid "SH3 " and resid 44 and name HA ))
2.800 1.000 1.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.25602E-02 ppm1 5.017 ppm2 0.823 CV 1
OR { 716}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 44 and name HA ))
ASSI { 721}
(( segid "SH3 " and resid 6 and name HE1 ))
(( segid "SH3 " and resid 6 and name HG1 ))
3.200 1.300 1.300 peak 721 spectrum 1 weight 0.10000E+01 volume 0.12983E-02 ppm1 1.174 ppm2 2.586 CV 1
OR { 721}
(( segid "SH3 " and resid 6 and name HE2 ))
(( segid "SH3 " and resid 6 and name HG1 ))
OR { 721}
(( segid "SH3 " and resid 6 and name HE1 ))
(( segid "SH3 " and resid 6 and name HG2 ))
OR { 721}
(( segid "SH3 " and resid 6 and name HE2 ))
(( segid "SH3 " and resid 6 and name HG2 ))
OR { 721}
(( segid "SH3 " and resid 68 and name HE1 ))
(( segid "SH3 " and resid 68 and name HG1 ))
ASSI { 722}
(( segid "SH3 " and resid 6 and name HB1 ))
(( segid "SH3 " and resid 6 and name HG1 ))
2.200 0.600 0.600 peak 722 spectrum 1 weight 0.10000E+01 volume 0.10885E-01 ppm1 1.173 ppm2 1.553 CV 1
OR { 722}
(( segid "SH3 " and resid 6 and name HB1 ))
(( segid "SH3 " and resid 6 and name HG2 ))
OR { 722}
(( segid "SH3 " and resid 68 and name HB1 ))
(( segid "SH3 " and resid 68 and name HG1 ))
ASSI { 723}
(( segid "SH3 " and resid 68 and name HB2 ))
(( segid "SH3 " and resid 68 and name HG1 ))
1.700 0.400 0.500 peak 723 spectrum 1 weight 0.10000E+01 volume 0.46580E-01 ppm1 1.177 ppm2 1.404 CV 1
OR { 723}
(( segid "SH3 " and resid 6 and name HB2 ))
(( segid "SH3 " and resid 6 and name HG2 ))
OR { 723}
(( segid "SH3 " and resid 6 and name HB2 ))
(( segid "SH3 " and resid 6 and name HG1 ))
ASSI { 725}
(( segid "SH3 " and resid 37 and name HA ))
(( segid "SH3 " and resid 37 and name HG1 ))
2.900 1.000 1.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.26429E-02 ppm1 1.439 ppm2 4.374 CV 1
OR { 725}
(( segid "SH3 " and resid 7 and name HA ))
(( segid "SH3 " and resid 7 and name HG1 ))
OR { 725}
(( segid "SH3 " and resid 40 and name HA ))
(( segid "SH3 " and resid 40 and name HG2 ))
OR { 725}
(( segid "SH3 " and resid 40 and name HA ))
(( segid "SH3 " and resid 40 and name HG1 ))
ASSI { 727}
(( segid "SH3 " and resid 40 and name HB1 ))
(( segid "SH3 " and resid 40 and name HG1 ))
2.000 0.500 0.500 peak 727 spectrum 1 weight 0.10000E+01 volume 0.19821E-01 ppm1 1.446 ppm2 1.775 CV 1
OR { 727}
(( segid "SH3 " and resid 40 and name HB2 ))
(( segid "SH3 " and resid 40 and name HG2 ))
OR { 727}
(( segid "SH3 " and resid 67 and name HB1 ))
(( segid "SH3 " and resid 67 and name HG1 ))
OR { 727}
(( segid "SH3 " and resid 40 and name HB2 ))
(( segid "SH3 " and resid 40 and name HG1 ))
OR { 727}
(( segid "SH3 " and resid 40 and name HB1 ))
(( segid "SH3 " and resid 40 and name HG2 ))
OR { 727}
(( segid "SH3 " and resid 7 and name HB2 ))
(( segid "SH3 " and resid 7 and name HG1 ))
OR { 727}
(( segid "SH3 " and resid 37 and name HB2 ))
(( segid "SH3 " and resid 37 and name HG1 ))
ASSI { 728}
(( segid "SH3 " and resid 67 and name HB2 ))
(( segid "SH3 " and resid 67 and name HG1 ))
1.800 0.400 0.400 peak 728 spectrum 1 weight 0.10000E+01 volume 0.34687E-01 ppm1 1.447 ppm2 1.668 CV 1
OR { 728}
(( segid "SH3 " and resid 40 and name HD1 ))
(( segid "SH3 " and resid 40 and name HG2 ))
OR { 728}
(( segid "SH3 " and resid 40 and name HD2 ))
(( segid "SH3 " and resid 40 and name HG1 ))
OR { 728}
(( segid "SH3 " and resid 40 and name HD2 ))
(( segid "SH3 " and resid 40 and name HG2 ))
OR { 728}
(( segid "SH3 " and resid 40 and name HD1 ))
(( segid "SH3 " and resid 40 and name HG1 ))
OR { 728}
(( segid "SH3 " and resid 52 and name HD2 ))
(( segid "SH3 " and resid 52 and name HG2 ))
OR { 728}
(( segid "SH3 " and resid 67 and name HD1 ))
(( segid "SH3 " and resid 67 and name HG1 ))
ASSI { 729}
(( segid "SH3 " and resid 37 and name HB2 ))
(( segid "SH3 " and resid 37 and name HG2 ))
2.100 0.500 0.500 peak 729 spectrum 1 weight 0.10000E+01 volume 0.15395E-01 ppm1 1.360 ppm2 1.786 CV 1
OR { 729}
(( segid "SH3 " and resid 4 and name HB1 ))
(( segid "SH3 " and resid 4 and name HG2 ))
OR { 729}
(( segid "SH3 " and resid 67 and name HB1 ))
(( segid "SH3 " and resid 67 and name HG2 ))
OR { 729}
(( segid "SH3 " and resid 4 and name HB1 ))
(( segid "SH3 " and resid 4 and name HG1 ))
OR { 729}
(( segid "SH3 " and resid 7 and name HB1 ))
(( segid "SH3 " and resid 7 and name HG2 ))
OR { 729}
(( segid "SH3 " and resid 37 and name HB1 ))
(( segid "SH3 " and resid 37 and name HG2 ))
ASSI { 732}
(( segid "SH3 " and resid 57 and name HD1 ))
( segid "SH3 " and resid 56 and name HG1%)
3.800 1.800 1.800 peak 732 spectrum 1 weight 0.10000E+01 volume 0.87541E-03 ppm1 1.178 ppm2 2.104 CV 1
OR { 732}
(( segid "SH3 " and resid 25 and name HB ))
( segid "SH3 " and resid 56 and name HG1%)
ASSI { 733}
(( segid "SH3 " and resid 57 and name HD2 ))
( segid "SH3 " and resid 56 and name HG1%)
3.400 1.500 1.500 peak 733 spectrum 1 weight 0.10000E+01 volume 0.14916E-02 ppm1 1.178 ppm2 1.954 CV 1
OR { 733}
(( segid "SH3 " and resid 25 and name HG11))
( segid "SH3 " and resid 56 and name HG1%)
ASSI { 734}
(( segid "SH3 " and resid 56 and name HB ))
( segid "SH3 " and resid 56 and name HG1%)
2.400 0.700 0.700 peak 734 spectrum 1 weight 0.10000E+01 volume 0.56491E-02 ppm1 1.179 ppm2 1.800 CV 1
OR { 734}
(( segid "SH3 " and resid 6 and name HD1 ))
(( segid "SH3 " and resid 6 and name HG2 ))
OR { 734}
(( segid "SH3 " and resid 6 and name HD2 ))
(( segid "SH3 " and resid 6 and name HG1 ))
OR { 734}
(( segid "SH3 " and resid 6 and name HD2 ))
(( segid "SH3 " and resid 6 and name HG2 ))
ASSI { 737}
( segid "SH3 " and resid 61 and name HD1%)
( segid "SH3 " and resid 56 and name HG1%)
2.600 0.900 0.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.49057E-02 ppm1 1.175 ppm2 0.668 CV 1
OR { 737}
(( segid "SH3 " and resid 23 and name HB2 ))
( segid "SH3 " and resid 56 and name HG1%)
OR { 737}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 6 and name HG2 ))
OR { 737}
( segid "SH3 " and resid 23 and name HD1%)
( segid "SH3 " and resid 56 and name HG1%)
ASSI { 747}
(( segid "SH3 " and resid 14 and name HA ))
( segid "SH3 " and resid 11 and name HG2%)
4.000 2.000 2.000 peak 747 spectrum 1 weight 0.10000E+01 volume 0.37826E-03 ppm1 0.827 ppm2 4.404 CV 1
OR { 747}
(( segid "SH3 " and resid 61 and name HA ))
( segid "SH3 " and resid 11 and name HG2%)
ASSI { 755}
(( segid "SH3 " and resid 13 and name HB2 ))
( segid "SH3 " and resid 11 and name HG2%)
2.800 1.000 1.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.44103E-02 ppm1 0.821 ppm2 1.180 CV 1
OR { 755}
(( segid "SH3 " and resid 61 and name HG12))
( segid "SH3 " and resid 11 and name HG2%)
OR { 755}
( segid "SH3 " and resid 56 and name HG1%)
( segid "SH3 " and resid 11 and name HG2%)
ASSI { 776}
(( segid "SH3 " and resid 52 and name HB2 ))
( segid "SH3 " and resid 23 and name HD1%)
2.600 0.800 0.800 peak 776 spectrum 1 weight 0.10000E+01 volume 0.43772E-02 ppm1 0.706 ppm2 1.658 CV 1
OR { 776}
(( segid "SH3 " and resid 47 and name HG ))
( segid "SH3 " and resid 23 and name HD1%)
OR { 776}
(( segid "SH3 " and resid 23 and name HB1 ))
( segid "SH3 " and resid 23 and name HD1%)
ASSI { 781}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 46 and name HA ))
3.900 1.900 1.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.50380E-03 ppm1 5.230 ppm2 0.700 CV 1
OR { 781}
( segid "SH3 " and resid 23 and name HD1%)
(( segid "SH3 " and resid 46 and name HA ))
OR { 781}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 46 and name HA ))
ASSI { 797}
(( segid "SH3 " and resid 44 and name HB1 ))
( segid "SH3 " and resid 55 and name HD1%)
3.400 1.400 1.400 peak 797 spectrum 1 weight 0.10000E+01 volume 0.98280E-03 ppm1 0.825 ppm2 2.745 CV 1
OR { 797}
(( segid "SH3 " and resid 43 and name HB2 ))
( segid "SH3 " and resid 55 and name HD1%)
ASSI { 807}
(( segid "SH3 " and resid 18 and name HB1 ))
(( segid "SH3 " and resid 17 and name HA ))
3.700 1.700 1.700 peak 807 spectrum 1 weight 0.10000E+01 volume 0.84737E-03 ppm1 3.792 ppm2 2.145 CV 1
OR { 807}
(( segid "SH3 " and resid 22 and name HG2 ))
(( segid "SH3 " and resid 17 and name HA ))
ASSI { 810}
(( segid "SH3 " and resid 14 and name HA ))
( segid "SH3 " and resid 11 and name HG1%)
3.800 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.35843E-03 ppm1 0.929 ppm2 4.425 CV 1
OR { 810}
(( segid "SH3 " and resid 61 and name HA ))
( segid "SH3 " and resid 11 and name HG1%)
ASSI { 817}
( segid "SH3 " and resid 56 and name HG1%)
( segid "SH3 " and resid 11 and name HG1%)
2.900 2.900 3.100 peak 817 spectrum 1 weight 0.10000E+01 volume 0.17839E-02 ppm1 0.928 ppm2 1.176 CV 1
OR { 817}
(( segid "SH3 " and resid 61 and name HG12))
( segid "SH3 " and resid 11 and name HG1%)
OR { 817}
(( segid "SH3 " and resid 13 and name HB2 ))
( segid "SH3 " and resid 11 and name HG1%)
ASSI { 818}
( segid "SH3 " and resid 31 and name HG1%)
( segid "SH3 " and resid 11 and name HG1%)
2.200 2.200 3.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.97623E-02 ppm1 0.927 ppm2 0.665 CV 1
OR { 818}
( segid "SH3 " and resid 61 and name HD1%)
( segid "SH3 " and resid 11 and name HG1%)
ASSI { 829}
(( segid "SH3 " and resid 36 and name HA ))
(( segid "SH3 " and resid 43 and name HA ))
3.900 1.900 1.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.36835E-03 ppm1 5.446 ppm2 4.024 CV 1
OR { 829}
(( segid "SH3 " and resid 39 and name HB2 ))
(( segid "SH3 " and resid 43 and name HA ))
ASSI { 859}
(( segid "SH3 " and resid 30 and name HA ))
( segid "SH3 " and resid 31 and name HG1%)
4.200 2.200 1.800 peak 859 spectrum 1 weight 0.10000E+01 volume 0.27089E-03 ppm1 0.675 ppm2 4.889 CV 1
OR { 859}
(( segid "SH3 " and resid 10 and name HA ))
( segid "SH3 " and resid 31 and name HG1%)
ASSI { 864}
(( segid "SH3 " and resid 47 and name HG ))
( segid "SH3 " and resid 31 and name HG1%)
3.500 1.500 1.500 peak 864 spectrum 1 weight 0.10000E+01 volume 0.94644E-03 ppm1 0.677 ppm2 1.653 CV 1
OR { 864}
(( segid "SH3 " and resid 30 and name HB2 ))
( segid "SH3 " and resid 31 and name HG1%)
ASSI { 867}
(( segid "SH3 " and resid 43 and name HB2 ))
( segid "SH3 " and resid 56 and name HG2%)
2.900 1.000 1.000 peak 867 spectrum 1 weight 0.10000E+01 volume 0.30062E-02 ppm1 0.816 ppm2 2.721 CV 1
OR { 867}
(( segid "SH3 " and resid 45 and name HB1 ))
( segid "SH3 " and resid 56 and name HG2%)
ASSI { 868}
(( segid "SH3 " and resid 61 and name HB ))
( segid "SH3 " and resid 56 and name HG2%)
4.200 2.200 1.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.36835E-03 ppm1 0.815 ppm2 2.270 CV 1
OR { 868}
(( segid "SH3 " and resid 58 and name HA ))
( segid "SH3 " and resid 56 and name HG2%)
OR { 868}
(( segid "SH3 " and resid 63 and name HB1 ))
( segid "SH3 " and resid 64 and name HG2%)
ASSI { 871}
( segid "SH3 " and resid 56 and name HG1%)
( segid "SH3 " and resid 56 and name HG2%)
2.200 0.600 0.600 peak 871 spectrum 1 weight 0.10000E+01 volume 0.11001E-01 ppm1 0.816 ppm2 1.182 CV 1
OR { 871}
(( segid "SH3 " and resid 61 and name HG12))
( segid "SH3 " and resid 56 and name HG2%)
ASSI { 874}
(( segid "SH3 " and resid 44 and name HA ))
( segid "SH3 " and resid 56 and name HG2%)
3.000 1.100 1.100 peak 874 spectrum 1 weight 0.10000E+01 volume 0.21473E-02 ppm1 0.839 ppm2 5.012 CV 1
OR { 874}
(( segid "SH3 " and resid 9 and name HA1 ))
( segid "SH3 " and resid 64 and name HG1%)
ASSI { 875}
(( segid "SH3 " and resid 42 and name HA ))
( segid "SH3 " and resid 56 and name HG2%)
3.400 1.500 1.500 peak 875 spectrum 1 weight 0.10000E+01 volume 0.10638E-02 ppm1 0.840 ppm2 4.854 CV 1
OR { 875}
(( segid "SH3 " and resid 10 and name HA ))
( segid "SH3 " and resid 64 and name HG1%)
OR { 875}
(( segid "SH3 " and resid 10 and name HA ))
( segid "SH3 " and resid 64 and name HG2%)
ASSI { 877}
(( segid "SH3 " and resid 10 and name HB ))
( segid "SH3 " and resid 64 and name HG1%)
3.000 1.100 1.100 peak 877 spectrum 1 weight 0.10000E+01 volume 0.19326E-02 ppm1 0.840 ppm2 1.606 CV 1
OR { 877}
(( segid "SH3 " and resid 10 and name HB ))
( segid "SH3 " and resid 64 and name HG2%)
OR { 877}
(( segid "SH3 " and resid 55 and name HB1 ))
( segid "SH3 " and resid 56 and name HG2%)
OR { 877}
(( segid "SH3 " and resid 8 and name HG2 ))
( segid "SH3 " and resid 64 and name HG2%)
OR { 877}
(( segid "SH3 " and resid 8 and name HG2 ))
( segid "SH3 " and resid 64 and name HG1%)
OR { 877}
(( segid "SH3 " and resid 65 and name HG1 ))
( segid "SH3 " and resid 64 and name HG1%)
OR { 877}
(( segid "SH3 " and resid 65 and name HG2 ))
( segid "SH3 " and resid 64 and name HG1%)
ASSI { 886}
(( segid "SH3 " and resid 8 and name HD1 ))
( segid "SH3 " and resid 48 and name HG2%)
4.000 2.000 2.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.43442E-03 ppm1 0.170 ppm2 3.238 CV 1
OR { 886}
(( segid "SH3 " and resid 9 and name HA2 ))
( segid "SH3 " and resid 48 and name HG2%)
ASSI { 926}
(( segid "SH3 " and resid 23 and name HB1 ))
( segid "SH3 " and resid 25 and name HG2%)
3.200 1.300 1.300 peak 926 spectrum 1 weight 0.10000E+01 volume 0.14403E-02 ppm1 0.887 ppm2 1.654 CV 1
OR { 926}
(( segid "SH3 " and resid 47 and name HG ))
( segid "SH3 " and resid 25 and name HG2%)
ASSI { 928}
( segid "SH3 " and resid 31 and name HG1%)
( segid "SH3 " and resid 25 and name HG2%)
2.400 0.700 0.700 peak 928 spectrum 1 weight 0.10000E+01 volume 0.84569E-02 ppm1 0.887 ppm2 0.682 CV 1
OR { 928}
( segid "SH3 " and resid 23 and name HD1%)
( segid "SH3 " and resid 25 and name HG2%)
ASSI { 949}
(( segid "SH3 " and resid 10 and name HA ))
( segid "SH3 " and resid 31 and name HG2%)
3.500 1.500 1.500 peak 949 spectrum 1 weight 0.10000E+01 volume 0.74825E-03 ppm1 0.560 ppm2 4.882 CV 1
OR { 949}
(( segid "SH3 " and resid 30 and name HA ))
( segid "SH3 " and resid 31 and name HG2%)
ASSI { 954}
(( segid "SH3 " and resid 61 and name HG12))
( segid "SH3 " and resid 31 and name HG2%)
4.100 2.100 1.900 peak 954 spectrum 1 weight 0.10000E+01 volume 0.67393E-03 ppm1 0.560 ppm2 1.184 CV 1
OR { 954}
( segid "SH3 " and resid 56 and name HG1%)
( segid "SH3 " and resid 31 and name HG2%)
ASSI { 959}
(( segid "SH3 " and resid 43 and name HB2 ))
( segid "SH3 " and resid 33 and name HG2%)
3.400 1.500 1.500 peak 959 spectrum 1 weight 0.10000E+01 volume 0.12455E-02 ppm1 0.331 ppm2 2.772 CV 1
OR { 959}
(( segid "SH3 " and resid 35 and name HB1 ))
( segid "SH3 " and resid 33 and name HG2%)
ASSI { 966}
(( segid "SH3 " and resid 71 and name HB2 ))
(( segid "SH3 " and resid 71 and name HG1 ))
2.400 0.700 0.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.72678E-02 ppm1 2.162 ppm2 1.868 CV 1
OR { 966}
(( segid "SH3 " and resid 18 and name HB2 ))
(( segid "SH3 " and resid 18 and name HG2 ))
OR { 966}
(( segid "SH3 " and resid 71 and name HB2 ))
(( segid "SH3 " and resid 71 and name HG2 ))
ASSI { 969}
(( segid "SH3 " and resid 37 and name HB1 ))
(( segid "SH3 " and resid 37 and name HA ))
1.900 0.500 0.500 peak 969 spectrum 1 weight 0.10000E+01 volume 0.22465E-01 ppm1 4.379 ppm2 1.798 CV 1
OR { 969}
(( segid "SH3 " and resid 37 and name HB2 ))
(( segid "SH3 " and resid 37 and name HA ))
OR { 969}
(( segid "SH3 " and resid 7 and name HB1 ))
(( segid "SH3 " and resid 7 and name HA ))
ASSI { 982}
(( segid "SH3 " and resid 52 and name HG2 ))
(( segid "SH3 " and resid 52 and name HE2 ))
2.900 1.100 1.100 peak 982 spectrum 1 weight 0.10000E+01 volume 0.20317E-02 ppm1 3.023 ppm2 1.450 CV 1
OR { 982}
(( segid "SH3 " and resid 52 and name HG2 ))
(( segid "SH3 " and resid 52 and name HE1 ))
OR { 982}
(( segid "SH3 " and resid 40 and name HG1 ))
(( segid "SH3 " and resid 40 and name HE1 ))
OR { 982}
(( segid "SH3 " and resid 40 and name HG2 ))
(( segid "SH3 " and resid 40 and name HE1 ))
OR { 982}
(( segid "SH3 " and resid 40 and name HG1 ))
(( segid "SH3 " and resid 40 and name HE2 ))
OR { 982}
(( segid "SH3 " and resid 40 and name HG2 ))
(( segid "SH3 " and resid 40 and name HE2 ))
ASSI { 984}
(( segid "SH3 " and resid 26 and name HB2 ))
(( segid "SH3 " and resid 29 and name HB2 ))
3.800 1.800 1.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.46580E-03 ppm1 2.317 ppm2 1.649 CV 1
OR { 984}
(( segid "SH3 " and resid 30 and name HB2 ))
(( segid "SH3 " and resid 29 and name HB2 ))
OR { 984}
(( segid "SH3 " and resid 26 and name HB1 ))
(( segid "SH3 " and resid 14 and name HB2 ))
OR { 984}
(( segid "SH3 " and resid 26 and name HB1 ))
(( segid "SH3 " and resid 29 and name HB2 ))
ASSI { 985}
(( segid "SH3 " and resid 68 and name HB1 ))
(( segid "SH3 " and resid 68 and name HE1 ))
4.000 2.000 2.000 peak 985 spectrum 1 weight 0.10000E+01 volume 0.41129E-03 ppm1 2.582 ppm2 1.568 CV 1
OR { 985}
(( segid "SH3 " and resid 68 and name HB1 ))
(( segid "SH3 " and resid 68 and name HE2 ))
OR { 985}
(( segid "SH3 " and resid 6 and name HB1 ))
(( segid "SH3 " and resid 6 and name HE1 ))
OR { 985}
(( segid "SH3 " and resid 6 and name HB1 ))
(( segid "SH3 " and resid 6 and name HE2 ))
ASSI { 992}
(( segid "SH3 " and resid 45 and name HB1 ))
( segid "SH3 " and resid 61 and name HD1%)
4.000 2.000 2.000 peak 992 spectrum 1 weight 0.10000E+01 volume 0.33201E-03 ppm1 0.645 ppm2 2.749 CV 1
OR { 992}
(( segid "SH3 " and resid 43 and name HB2 ))
( segid "SH3 " and resid 61 and name HD1%)
ASSI { 1000}
(( segid "SH3 " and resid 13 and name HB2 ))
(( segid "SH3 " and resid 60 and name HB1 ))
3.900 1.900 1.900 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.34192E-03 ppm1 3.443 ppm2 1.189 CV 1
OR { 1000}
(( segid "SH3 " and resid 61 and name HG12))
(( segid "SH3 " and resid 60 and name HB1 ))
ASSI { 1001}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 60 and name HB2 ))
4.300 2.400 1.700 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.41295E-03 ppm1 3.070 ppm2 0.825 CV 1
OR { 1001}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 60 and name HB2 ))
ASSI { 1005}
(( segid "SH3 " and resid 47 and name HB2 ))
(( segid "SH3 " and resid 50 and name HB1 ))
4.000 2.000 2.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.42450E-03 ppm1 3.989 ppm2 1.858 CV 1
OR { 1005}
(( segid "SH3 " and resid 38 and name HB2 ))
(( segid "SH3 " and resid 39 and name HB2 ))
OR { 1005}
(( segid "SH3 " and resid 47 and name HB1 ))
(( segid "SH3 " and resid 50 and name HB1 ))
ASSI { 1022}
(( segid "SH3 " and resid 45 and name HB1 ))
(( segid "SH3 " and resid 33 and name HA ))
4.100 2.100 1.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.35348E-03 ppm1 4.308 ppm2 2.725 CV 1
OR { 1022}
(( segid "SH3 " and resid 44 and name HB1 ))
(( segid "SH3 " and resid 33 and name HA ))
ASSI { 1026}
(( segid "SH3 " and resid 14 and name HA ))
(( segid "SH3 " and resid 27 and name HA ))
4.600 2.600 1.400 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.21804E-03 ppm1 3.338 ppm2 4.401 CV 1
OR { 1026}
(( segid "SH3 " and resid 28 and name HA1 ))
(( segid "SH3 " and resid 27 and name HA ))
ASSI { 1029}
(( segid "SH3 " and resid 57 and name HG2 ))
(( segid "SH3 " and resid 57 and name HB2 ))
2.900 1.000 1.000 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.14668E-02 ppm1 0.362 ppm2 0.036 CV 1
OR { 1029}
(( segid "SH3 " and resid 59 and name HN ))
(( segid "SH3 " and resid 57 and name HB2 ))
OR { 1029}
(( segid "SH3 " and resid 60 and name HN ))
(( segid "SH3 " and resid 57 and name HB2 ))
ASSI { 1030}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 7 and name HD2 ))
3.500 1.600 1.600 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.40138E-03 ppm1 1.526 ppm2 0.639 CV 1
OR { 1030}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 7 and name HD1 ))
OR { 1030}
(( segid "SH3 " and resid 36 and name HB2 ))
(( segid "SH3 " and resid 7 and name HD1 ))
ASSI { 1031}
( segid "SH3 " and resid 25 and name HG2%)
(( segid "SH3 " and resid 15 and name HA ))
4.600 2.700 1.400 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.27419E-03 ppm1 4.662 ppm2 0.882 CV 1
OR { 1031}
(( segid "SH3 " and resid 57 and name HB1 ))
(( segid "SH3 " and resid 15 and name HA ))
ASSI { 1032}
(( segid "SH3 " and resid 16 and name HB1 ))
(( segid "SH3 " and resid 15 and name HA ))
5.000 3.100 1.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.25107E-03 ppm1 4.657 ppm2 1.822 CV 1
OR { 1032}
(( segid "SH3 " and resid 25 and name HG12))
(( segid "SH3 " and resid 15 and name HA ))
OR { 1032}
(( segid "SH3 " and resid 16 and name HB2 ))
(( segid "SH3 " and resid 15 and name HA ))
ASSI { 1034}
(( segid "SH3 " and resid 31 and name HB ))
(( segid "SH3 " and resid 45 and name HA ))
4.500 2.600 1.500 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.30558E-03 ppm1 5.565 ppm2 2.019 CV 1
OR { 1034}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 45 and name HA ))
ASSI { 1035}
(( segid "SH3 " and resid 48 and name HB ))
(( segid "SH3 " and resid 31 and name HA ))
4.500 2.600 1.500 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.26924E-03 ppm1 5.311 ppm2 1.667 CV 1
OR { 1035}
(( segid "SH3 " and resid 30 and name HB2 ))
(( segid "SH3 " and resid 31 and name HA ))
ASSI { 1036}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 45 and name HA ))
3.900 1.900 1.900 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.32871E-03 ppm1 5.564 ppm2 0.805 CV 1
OR { 1036}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 45 and name HA ))
ASSI { 1037}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 45 and name HA ))
4.500 2.500 1.500 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.25272E-03 ppm1 5.564 ppm2 0.695 CV 1
OR { 1037}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 45 and name HA ))
ASSI { 1040}
(( segid "SH3 " and resid 62 and name HB1 ))
(( segid "SH3 " and resid 61 and name HA ))
5.200 3.400 0.800 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.15626E-03 ppm1 4.427 ppm2 2.056 CV 1
OR { 1040}
(( segid "SH3 " and resid 12 and name HG1 ))
(( segid "SH3 " and resid 61 and name HA ))
ASSI { 1049}
(( segid "SH3 " and resid 55 and name HB1 ))
(( segid "SH3 " and resid 56 and name HA ))
4.400 2.500 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.17674E-03 ppm1 4.761 ppm2 1.630 CV 1
OR { 1049}
(( segid "SH3 " and resid 23 and name HB1 ))
(( segid "SH3 " and resid 56 and name HA ))
ASSI { 1055}
(( segid "SH3 " and resid 56 and name HN ))
(( segid "SH3 " and resid 56 and name HA ))
4.300 4.300 1.700 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.20152E-03 ppm1 4.765 ppm2 0.035 CV 1
OR { 1055}
(( segid "SH3 " and resid 57 and name HG2 ))
(( segid "SH3 " and resid 56 and name HA ))
ASSI { 1068}
(( segid "SH3 " and resid 18 and name HB1 ))
(( segid "SH3 " and resid 19 and name HA ))
4.300 2.300 1.700 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.28906E-03 ppm1 4.634 ppm2 2.143 CV 1
OR { 1068}
(( segid "SH3 " and resid 20 and name HB2 ))
(( segid "SH3 " and resid 19 and name HA ))
ASSI { 1071}
(( segid "SH3 " and resid 8 and name HG1 ))
(( segid "SH3 " and resid 32 and name HA ))
5.100 3.200 0.900 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.15973E-03 ppm1 5.441 ppm2 1.778 CV 1
OR { 1071}
(( segid "SH3 " and resid 8 and name HB2 ))
(( segid "SH3 " and resid 32 and name HA ))
OR { 1071}
(( segid "SH3 " and resid 7 and name HB2 ))
(( segid "SH3 " and resid 32 and name HA ))
ASSI { 1077}
( segid "SH3 " and resid 10 and name HD1%)
(( segid "SH3 " and resid 30 and name HA ))
4.400 2.400 1.600 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.29236E-03 ppm1 4.840 ppm2 0.820 CV 1
OR { 1077}
( segid "SH3 " and resid 55 and name HD1%)
(( segid "SH3 " and resid 42 and name HA ))
OR { 1077}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 42 and name HA ))
ASSI { 1079}
(( segid "SH3 " and resid 25 and name HA ))
(( segid "SH3 " and resid 25 and name HG11))
4.100 2.100 1.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.29566E-03 ppm1 1.938 ppm2 4.818 CV 1
OR { 1079}
(( segid "SH3 " and resid 26 and name HA ))
(( segid "SH3 " and resid 25 and name HG11))
ASSI { 1082}
( segid "SH3 " and resid 56 and name HG1%)
(( segid "SH3 " and resid 25 and name HG11))
4.100 2.100 1.900 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.16848E-03 ppm1 1.937 ppm2 1.177 CV 1
OR { 1082}
(( segid "SH3 " and resid 13 and name HB2 ))
(( segid "SH3 " and resid 25 and name HG11))
ASSI { 1084}
(( segid "SH3 " and resid 22 and name HG1 ))
( segid "SH3 " and resid 55 and name HD2%)
4.400 2.400 1.600 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.25768E-03 ppm1 0.620 ppm2 2.245 CV 1
OR { 1084}
(( segid "SH3 " and resid 44 and name HB2 ))
( segid "SH3 " and resid 55 and name HD2%)
ASSI { 1095}
(( segid "SH3 " and resid 32 and name HB2 ))
( segid "SH3 " and resid 34 and name HD1%)
4.500 2.500 1.500 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.20977E-03 ppm1 0.802 ppm2 2.623 CV 1
OR { 1095}
(( segid "SH3 " and resid 45 and name HB2 ))
( segid "SH3 " and resid 34 and name HD1%)
ASSI { 1098}
(( segid "SH3 " and resid 44 and name HB2 ))
(( segid "SH3 " and resid 35 and name HA ))
4.300 2.300 1.700 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.44928E-03 ppm1 4.696 ppm2 2.260 CV 1
OR { 1098}
(( segid "SH3 " and resid 13 and name HB1 ))
(( segid "SH3 " and resid 60 and name HA ))
OR { 1098}
(( segid "SH3 " and resid 59 and name HG1 ))
(( segid "SH3 " and resid 60 and name HA ))
OR { 1098}
(( segid "SH3 " and resid 61 and name HB ))
(( segid "SH3 " and resid 60 and name HA ))
ASSI { 1101}
(( segid "SH3 " and resid 33 and name HG12))
(( segid "SH3 " and resid 8 and name HA ))
3.700 1.700 1.700 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.32375E-03 ppm1 5.268 ppm2 0.848 CV 1
OR { 1101}
( segid "SH3 " and resid 64 and name HG2%)
(( segid "SH3 " and resid 8 and name HA ))
OR { 1101}
( segid "SH3 " and resid 64 and name HG1%)
(( segid "SH3 " and resid 8 and name HA ))
ASSI { 1108}
(( segid "SH3 " and resid 55 and name HB2 ))
(( segid "SH3 " and resid 44 and name HA ))
4.600 2.700 1.400 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.27915E-03 ppm1 5.012 ppm2 1.495 CV 1
OR { 1108}
(( segid "SH3 " and resid 34 and name HG ))
(( segid "SH3 " and resid 44 and name HA ))
OR { 1108}
(( segid "SH3 " and resid 34 and name HB1 ))
(( segid "SH3 " and resid 44 and name HA ))
ASSI { 1109}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 44 and name HA ))
4.800 2.900 1.200 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.17509E-03 ppm1 5.016 ppm2 0.703 CV 1
OR { 1109}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 44 and name HA ))
OR { 1109}
( segid "SH3 " and resid 23 and name HD1%)
(( segid "SH3 " and resid 44 and name HA ))
ASSI { 1113}
(( segid "SH3 " and resid 27 and name HA ))
(( segid "SH3 " and resid 13 and name HA ))
4.300 2.300 1.700 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.27419E-03 ppm1 4.508 ppm2 3.334 CV 1
OR { 1113}
(( segid "SH3 " and resid 27 and name HA ))
(( segid "SH3 " and resid 29 and name HA ))
ASSI { 1121}
( segid "SH3 " and resid 61 and name HD1%)
(( segid "SH3 " and resid 58 and name HA ))
3.800 1.800 1.800 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.37661E-03 ppm1 2.267 ppm2 0.657 CV 1
OR { 1121}
(( segid "SH3 " and resid 36 and name HB2 ))
(( segid "SH3 " and resid 58 and name HA ))
OR { 1121}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 58 and name HA ))
ASSI { 1125}
(( segid "SH3 " and resid 12 and name HN ))
( segid "SH3 " and resid 11 and name HG2%)
4.100 4.100 1.900 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.25768E-03 ppm1 0.825 ppm2 -0.004 CV 1
OR { 1125}
(( segid "SH3 " and resid 13 and name HN ))
( segid "SH3 " and resid 11 and name HG2%)
OR { 1125}
(( segid "SH3 " and resid 11 and name HN ))
( segid "SH3 " and resid 11 and name HG2%)
ASSI { 1126}
(( segid "SH3 " and resid 20 and name HB2 ))
(( segid "SH3 " and resid 21 and name HA ))
4.300 2.300 1.700 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.23786E-03 ppm1 4.633 ppm2 2.098 CV 1
OR { 1126}
(( segid "SH3 " and resid 22 and name HG2 ))
(( segid "SH3 " and resid 21 and name HA ))
ASSI { 1131}
(( segid "SH3 " and resid 51 and name HA2 ))
( segid "SH3 " and resid 47 and name HD2%)
4.500 2.600 1.500 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.91016E-04 ppm1 1.010 ppm2 3.809 CV 1
OR { 1131}
(( segid "SH3 " and resid 50 and name HB2 ))
( segid "SH3 " and resid 47 and name HD2%)
ASSI { 1134}
(( segid "SH3 " and resid 54 and name HA1 ))
( segid "SH3 " and resid 23 and name HD1%)
4.700 2.700 1.300 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.22299E-03 ppm1 0.705 ppm2 4.039 CV 1
OR { 1134}
(( segid "SH3 " and resid 24 and name HB ))
( segid "SH3 " and resid 23 and name HD1%)
ASSI { 1137}
(( segid "SH3 " and resid 47 and name HG ))
(( segid "SH3 " and resid 46 and name HA ))
4.800 2.800 1.200 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.19326E-03 ppm1 5.232 ppm2 1.648 CV 1
OR { 1137}
(( segid "SH3 " and resid 52 and name HB2 ))
(( segid "SH3 " and resid 46 and name HA ))
ASSI { 1145}
(( segid "SH3 " and resid 26 and name HA ))
( segid "SH3 " and resid 11 and name HG1%)
3.900 1.900 1.900 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.51370E-03 ppm1 0.928 ppm2 4.809 CV 1
OR { 1145}
(( segid "SH3 " and resid 25 and name HA ))
( segid "SH3 " and resid 11 and name HG1%)
ASSI { 1153}
(( segid "SH3 " and resid 43 and name HB2 ))
(( segid "SH3 " and resid 36 and name HA ))
4.800 2.800 1.200 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.17509E-03 ppm1 4.025 ppm2 2.765 CV 1
OR { 1153}
(( segid "SH3 " and resid 35 and name HB1 ))
(( segid "SH3 " and resid 36 and name HA ))
ASSI { 1168}
(( segid "SH3 " and resid 47 and name HB1 ))
( segid "SH3 " and resid 31 and name HG1%)
4.000 2.000 2.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.68879E-03 ppm1 0.675 ppm2 1.849 CV 1
OR { 1168}
(( segid "SH3 " and resid 47 and name HB2 ))
( segid "SH3 " and resid 31 and name HG1%)
OR { 1168}
(( segid "SH3 " and resid 45 and name HG ))
( segid "SH3 " and resid 31 and name HG1%)
ASSI { 1171}
(( segid "SH3 " and resid 31 and name HB ))
( segid "SH3 " and resid 48 and name HG2%)
4.500 2.500 1.500 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.27584E-03 ppm1 0.173 ppm2 2.007 CV 1
OR { 1171}
(( segid "SH3 " and resid 46 and name HG2 ))
( segid "SH3 " and resid 48 and name HG2%)
ASSI { 1172}
(( segid "SH3 " and resid 32 and name HB1 ))
( segid "SH3 " and resid 48 and name HG2%)
4.700 2.800 1.300 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.11563E-03 ppm1 0.172 ppm2 2.942 CV 1
OR { 1172}
(( segid "SH3 " and resid 30 and name HE2 ))
( segid "SH3 " and resid 48 and name HG2%)
ASSI { 1173}
(( segid "SH3 " and resid 49 and name HB1 ))
( segid "SH3 " and resid 48 and name HG2%)
4.200 2.200 1.800 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.19987E-03 ppm1 0.170 ppm2 2.677 CV 1
OR { 1173}
(( segid "SH3 " and resid 49 and name HB2 ))
( segid "SH3 " and resid 48 and name HG2%)
OR { 1173}
(( segid "SH3 " and resid 45 and name HB2 ))
( segid "SH3 " and resid 48 and name HG2%)
ASSI { 1184}
(( segid "SH3 " and resid 30 and name HE1 ))
( segid "SH3 " and resid 48 and name HG1%)
4.600 2.600 1.400 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.12685E-03 ppm1 0.620 ppm2 2.945 CV 1
OR { 1184}
(( segid "SH3 " and resid 30 and name HE2 ))
( segid "SH3 " and resid 48 and name HG1%)
OR { 1184}
(( segid "SH3 " and resid 32 and name HB1 ))
( segid "SH3 " and resid 48 and name HG1%)
ASSI { 1208}
(( segid "SH3 " and resid 44 and name HB2 ))
( segid "SH3 " and resid 33 and name HG2%)
4.800 2.800 1.200 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.95805E-04 ppm1 0.329 ppm2 2.266 CV 1
OR { 1208}
(( segid "SH3 " and resid 61 and name HB ))
( segid "SH3 " and resid 33 and name HG2%)
OR { 1208}
(( segid "SH3 " and resid 63 and name HG1 ))
( segid "SH3 " and resid 33 and name HG2%)
ASSI { 1221}
(( segid "SH3 " and resid 18 and name HB1 ))
(( segid "SH3 " and resid 19 and name HB1 ))
3.800 1.800 1.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.49388E-03 ppm1 3.937 ppm2 2.131 CV 1
OR { 1221}
(( segid "SH3 " and resid 20 and name HB2 ))
(( segid "SH3 " and resid 19 and name HB1 ))
OR { 1221}
(( segid "SH3 " and resid 18 and name HG2 ))
(( segid "SH3 " and resid 19 and name HB1 ))
ASSI { 1244}
( segid "SH3 " and resid 64 and name HG2%)
(( segid "SH3 " and resid 8 and name HD2 ))
3.700 1.700 1.700 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.37165E-03 ppm1 3.151 ppm2 0.857 CV 1
OR { 1244}
( segid "SH3 " and resid 64 and name HG1%)
(( segid "SH3 " and resid 8 and name HD2 ))
OR { 1244}
( segid "SH3 " and resid 64 and name HG1%)
(( segid "SH3 " and resid 65 and name HD1 ))
OR { 1244}
( segid "SH3 " and resid 64 and name HG1%)
(( segid "SH3 " and resid 65 and name HD2 ))
ASSI { 1248}
(( segid "SH3 " and resid 61 and name HG12))
(( segid "SH3 " and resid 60 and name HB2 ))
3.800 1.800 1.800 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.34522E-03 ppm1 3.079 ppm2 1.187 CV 1
OR { 1248}
(( segid "SH3 " and resid 13 and name HB2 ))
(( segid "SH3 " and resid 60 and name HB2 ))
ASSI { 16}
(( segid "UBI " and resid 49 and name HA ))
(( segid "UBI " and resid 45 and name HN ))
3.900 1.900 1.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.50993E-03 ppm1 8.862 ppm2 4.607 CV 1
OR { 16}
(( segid "UBI " and resid 48 and name HA ))
(( segid "UBI " and resid 45 and name HN ))
ASSI { 19}
(( segid "UBI " and resid 48 and name HB1 ))
(( segid "UBI " and resid 45 and name HN ))
3.600 1.600 1.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.72439E-03 ppm1 8.858 ppm2 1.848 CV 1
OR { 19}
(( segid "UBI " and resid 44 and name HB ))
(( segid "UBI " and resid 45 and name HN ))
OR { 19}
(( segid "UBI " and resid 48 and name HB2 ))
(( segid "UBI " and resid 45 and name HN ))
ASSI { 20}
(( segid "UBI " and resid 50 and name HG ))
(( segid "UBI " and resid 45 and name HN ))
3.600 1.600 1.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.11081E-02 ppm1 8.859 ppm2 1.446 CV 1
OR { 20}
(( segid "UBI " and resid 44 and name HG11))
(( segid "UBI " and resid 45 and name HN ))
ASSI { 26}
(( segid "UBI " and resid 71 and name HG ))
(( segid "UBI " and resid 71 and name HN ))
2.600 0.900 0.900 peak 26 spectrum 1 weight 0.10000E+01 volume 0.66005E-02 ppm1 8.221 ppm2 1.624 CV 1
OR { 26}
(( segid "UBI " and resid 71 and name HB1 ))
(( segid "UBI " and resid 71 and name HN ))
OR { 26}
(( segid "UBI " and resid 72 and name HG1 ))
(( segid "UBI " and resid 73 and name HN ))
ASSI { 27}
( segid "UBI " and resid 71 and name HD2%)
(( segid "UBI " and resid 71 and name HN ))
3.700 1.700 1.700 peak 27 spectrum 1 weight 0.10000E+01 volume 0.64337E-03 ppm1 8.219 ppm2 0.799 CV 1
OR { 27}
( segid "UBI " and resid 73 and name HD1%)
(( segid "UBI " and resid 73 and name HN ))
ASSI { 36}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 15 and name HN ))
3.400 1.400 1.400 peak 36 spectrum 1 weight 0.10000E+01 volume 0.12439E-02 ppm1 8.633 ppm2 0.654 CV 1
OR { 36}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 15 and name HN ))
ASSI { 40}
(( segid "UBI " and resid 72 and name HB1 ))
(( segid "UBI " and resid 73 and name HN ))
3.100 1.200 1.200 peak 40 spectrum 1 weight 0.10000E+01 volume 0.14393E-02 ppm1 8.256 ppm2 1.693 CV 1
OR { 40}
(( segid "UBI " and resid 71 and name HG ))
(( segid "UBI " and resid 71 and name HN ))
ASSI { 41}
(( segid "UBI " and resid 71 and name HB2 ))
(( segid "UBI " and resid 71 and name HN ))
2.500 0.800 0.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.36696E-02 ppm1 8.255 ppm2 1.500 CV 1
OR { 41}
(( segid "UBI " and resid 72 and name HB2 ))
(( segid "UBI " and resid 73 and name HN ))
ASSI { 44}
( segid "UBI " and resid 73 and name HD1%)
(( segid "UBI " and resid 73 and name HN ))
4.200 2.200 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.38602E-03 ppm1 8.253 ppm2 0.773 CV 1
OR { 44}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 71 and name HN ))
ASSI { 57}
(( segid "UBI " and resid 43 and name HB1 ))
(( segid "UBI " and resid 43 and name HN ))
2.900 1.100 1.100 peak 57 spectrum 1 weight 0.10000E+01 volume 0.50993E-02 ppm1 8.700 ppm2 1.548 CV 1
OR { 57}
(( segid "UBI " and resid 42 and name HG2 ))
(( segid "UBI " and resid 43 and name HN ))
ASSI { 58}
(( segid "UBI " and resid 43 and name HG ))
(( segid "UBI " and resid 43 and name HN ))
2.600 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.44083E-02 ppm1 8.700 ppm2 1.436 CV 1
OR { 58}
(( segid "UBI " and resid 50 and name HB1 ))
(( segid "UBI " and resid 43 and name HN ))
ASSI { 67}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 69 and name HN ))
3.900 1.900 1.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.77206E-03 ppm1 8.344 ppm2 0.749 CV 1
OR { 67}
( segid "UBI " and resid 43 and name HD2%)
(( segid "UBI " and resid 69 and name HN ))
ASSI { 74}
(( segid "UBI " and resid 58 and name HA ))
(( segid "UBI " and resid 58 and name HN ))
2.800 0.900 0.900 peak 74 spectrum 1 weight 0.10000E+01 volume 0.30739E-02 ppm1 7.798 ppm2 4.225 CV 1
OR { 74}
(( segid "UBI " and resid 57 and name HA ))
(( segid "UBI " and resid 58 and name HN ))
ASSI { 81}
(( segid "UBI " and resid 74 and name HB2 ))
(( segid "UBI " and resid 74 and name HN ))
2.700 0.900 0.900 peak 81 spectrum 1 weight 0.10000E+01 volume 0.26449E-02 ppm1 8.240 ppm2 1.758 CV 1
OR { 81}
(( segid "UBI " and resid 72 and name HB1 ))
(( segid "UBI " and resid 74 and name HN ))
ASSI { 86}
(( segid "UBI " and resid 40 and name HG1 ))
(( segid "UBI " and resid 74 and name HN ))
2.900 1.000 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.24544E-02 ppm1 8.239 ppm2 2.363 CV 1
OR { 86}
(( segid "UBI " and resid 51 and name HG1 ))
(( segid "UBI " and resid 51 and name HN ))
OR { 86}
(( segid "UBI " and resid 40 and name HG2 ))
(( segid "UBI " and resid 74 and name HN ))
ASSI { 89}
(( segid "UBI " and resid 74 and name HG1 ))
(( segid "UBI " and resid 74 and name HN ))
3.500 1.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.10103E-02 ppm1 8.242 ppm2 1.575 CV 1
OR { 89}
(( segid "UBI " and resid 74 and name HG2 ))
(( segid "UBI " and resid 74 and name HN ))
OR { 89}
(( segid "UBI " and resid 72 and name HG1 ))
(( segid "UBI " and resid 74 and name HN ))
ASSI { 93}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 51 and name HN ))
3.400 1.400 1.400 peak 93 spectrum 1 weight 0.10000E+01 volume 0.91024E-03 ppm1 8.238 ppm2 0.747 CV 1
OR { 93}
( segid "UBI " and resid 73 and name HD1%)
(( segid "UBI " and resid 74 and name HN ))
ASSI { 98}
(( segid "UBI " and resid 41 and name HE22))
(( segid "UBI " and resid 31 and name HN ))
3.500 1.600 1.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.66720E-03 ppm1 8.435 ppm2 6.114 CV 1
OR { 98}
(( segid "UBI " and resid 36 and name HN ))
(( segid "UBI " and resid 31 and name HN ))
ASSI { 99}
(( segid "UBI " and resid 28 and name HA ))
(( segid "UBI " and resid 31 and name HN ))
3.000 1.100 1.100 peak 99 spectrum 1 weight 0.10000E+01 volume 0.19087E-02 ppm1 8.434 ppm2 4.159 CV 1
OR { 99}
(( segid "UBI " and resid 29 and name HA ))
(( segid "UBI " and resid 31 and name HN ))
ASSI { 104}
(( segid "UBI " and resid 31 and name HB2 ))
(( segid "UBI " and resid 31 and name HN ))
2.600 0.800 0.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.43844E-02 ppm1 8.434 ppm2 1.926 CV 1
OR { 104}
(( segid "UBI " and resid 30 and name HG11))
(( segid "UBI " and resid 31 and name HN ))
ASSI { 105}
(( segid "UBI " and resid 34 and name HB2 ))
(( segid "UBI " and resid 31 and name HN ))
4.000 2.000 2.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.51470E-03 ppm1 8.434 ppm2 1.600 CV 1
OR { 105}
(( segid "UBI " and resid 33 and name HG1 ))
(( segid "UBI " and resid 31 and name HN ))
OR { 105}
(( segid "UBI " and resid 38 and name HG2 ))
(( segid "UBI " and resid 31 and name HN ))
OR { 105}
(( segid "UBI " and resid 33 and name HG2 ))
(( segid "UBI " and resid 31 and name HN ))
ASSI { 113}
(( segid "UBI " and resid 42 and name HG2 ))
(( segid "UBI " and resid 42 and name HN ))
3.000 1.100 1.100 peak 113 spectrum 1 weight 0.10000E+01 volume 0.26449E-02 ppm1 8.542 ppm2 1.530 CV 1
OR { 113}
(( segid "UBI " and resid 71 and name HB2 ))
(( segid "UBI " and resid 42 and name HN ))
ASSI { 119}
(( segid "UBI " and resid 44 and name HG11))
(( segid "UBI " and resid 49 and name HN ))
3.600 1.600 1.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.58618E-03 ppm1 8.781 ppm2 1.457 CV 1
OR { 119}
(( segid "UBI " and resid 50 and name HG ))
(( segid "UBI " and resid 49 and name HN ))
ASSI { 126}
(( segid "UBI " and resid 17 and name HB ))
(( segid "UBI " and resid 21 and name HN ))
3.900 1.900 1.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.57188E-03 ppm1 7.748 ppm2 2.277 CV 1
OR { 126}
(( segid "UBI " and resid 18 and name HG1 ))
(( segid "UBI " and resid 21 and name HN ))
ASSI { 128}
(( segid "UBI " and resid 18 and name HB2 ))
(( segid "UBI " and resid 21 and name HN ))
3.100 1.200 1.200 peak 128 spectrum 1 weight 0.10000E+01 volume 0.18491E-02 ppm1 7.747 ppm2 1.642 CV 1
OR { 128}
(( segid "UBI " and resid 56 and name HG ))
(( segid "UBI " and resid 21 and name HN ))
ASSI { 139}
(( segid "UBI " and resid 29 and name HD2 ))
(( segid "UBI " and resid 29 and name HN ))
3.700 1.700 1.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 7.889 ppm2 1.404 CV 1
OR { 139}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 29 and name HN ))
ASSI { 140}
(( segid "UBI " and resid 30 and name HG12))
(( segid "UBI " and resid 29 and name HN ))
3.900 1.900 1.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.96508E-03 ppm1 7.890 ppm2 0.654 CV 1
OR { 140}
( segid "UBI " and resid 26 and name HG2%)
(( segid "UBI " and resid 29 and name HN ))
OR { 140}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 29 and name HN ))
OR { 140}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 29 and name HN ))
ASSI { 143}
(( segid "UBI " and resid 44 and name HA ))
(( segid "UBI " and resid 44 and name HN ))
3.000 1.100 1.100 peak 143 spectrum 1 weight 0.10000E+01 volume 0.17585E-02 ppm1 9.095 ppm2 5.004 CV 1
OR { 143}
(( segid "UBI " and resid 69 and name HA ))
(( segid "UBI " and resid 44 and name HN ))
ASSI { 146}
(( segid "UBI " and resid 43 and name HB1 ))
(( segid "UBI " and resid 44 and name HN ))
3.300 1.400 1.400 peak 146 spectrum 1 weight 0.10000E+01 volume 0.89832E-03 ppm1 9.095 ppm2 1.536 CV 1
OR { 146}
(( segid "UBI " and resid 67 and name HB1 ))
(( segid "UBI " and resid 44 and name HN ))
ASSI { 147}
(( segid "UBI " and resid 44 and name HG11))
(( segid "UBI " and resid 44 and name HN ))
3.000 1.100 1.100 peak 147 spectrum 1 weight 0.10000E+01 volume 0.16728E-02 ppm1 9.095 ppm2 1.441 CV 1
OR { 147}
(( segid "UBI " and resid 43 and name HG ))
(( segid "UBI " and resid 44 and name HN ))
ASSI { 148}
(( segid "UBI " and resid 44 and name HG12))
(( segid "UBI " and resid 44 and name HN ))
3.500 1.500 1.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.15703E-02 ppm1 9.096 ppm2 1.133 CV 1
OR { 148}
(( segid "UBI " and resid 43 and name HB2 ))
(( segid "UBI " and resid 44 and name HN ))
ASSI { 149}
( segid "UBI " and resid 44 and name HD1%)
(( segid "UBI " and resid 44 and name HN ))
3.300 1.400 1.400 peak 149 spectrum 1 weight 0.10000E+01 volume 0.17442E-02 ppm1 9.096 ppm2 0.748 CV 1
OR { 149}
( segid "UBI " and resid 43 and name HD2%)
(( segid "UBI " and resid 44 and name HN ))
OR { 149}
( segid "UBI " and resid 43 and name HD1%)
(( segid "UBI " and resid 44 and name HN ))
ASSI { 153}
(( segid "UBI " and resid 1 and name HB1 ))
(( segid "UBI " and resid 2 and name HN ))
3.500 1.500 1.500 peak 153 spectrum 1 weight 0.10000E+01 volume 0.18849E-02 ppm1 8.745 ppm2 2.177 CV 1
OR { 153}
(( segid "UBI " and resid 2 and name HG1 ))
(( segid "UBI " and resid 2 and name HN ))
ASSI { 164}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 16 and name HN ))
3.200 1.300 1.300 peak 164 spectrum 1 weight 0.10000E+01 volume 0.22733E-02 ppm1 8.030 ppm2 0.678 CV 1
OR { 164}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 16 and name HN ))
ASSI { 170}
( segid "UBI " and resid 14 and name HG2%)
(( segid "UBI " and resid 14 and name HN ))
3.900 1.900 1.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.81254E-03 ppm1 8.569 ppm2 1.054 CV 1
OR { 170}
(( segid "UBI " and resid 13 and name HG12))
(( segid "UBI " and resid 14 and name HN ))
ASSI { 178}
(( segid "UBI " and resid 72 and name HB2 ))
(( segid "UBI " and resid 72 and name HN ))
2.300 0.700 0.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.70056E-02 ppm1 8.387 ppm2 1.507 CV 1
OR { 178}
(( segid "UBI " and resid 71 and name HB2 ))
(( segid "UBI " and resid 72 and name HN ))
ASSI { 179}
( segid "UBI " and resid 71 and name HD2%)
(( segid "UBI " and resid 72 and name HN ))
3.100 1.200 1.200 peak 179 spectrum 1 weight 0.10000E+01 volume 0.10127E-02 ppm1 8.393 ppm2 0.804 CV 1
OR { 179}
( segid "UBI " and resid 36 and name HD1%)
(( segid "UBI " and resid 72 and name HN ))
ASSI { 198}
(( segid "UBI " and resid 45 and name HN ))
(( segid "UBI " and resid 48 and name HN ))
3.000 1.100 1.100 peak 198 spectrum 1 weight 0.10000E+01 volume 0.17157E-02 ppm1 7.872 ppm2 8.863 CV 1
OR { 198}
(( segid "UBI " and resid 46 and name HN ))
(( segid "UBI " and resid 48 and name HN ))
ASSI { 221}
(( segid "UBI " and resid 13 and name HG11))
(( segid "UBI " and resid 5 and name HN ))
3.800 1.800 1.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.53138E-03 ppm1 9.166 ppm2 1.403 CV 1
OR { 221}
(( segid "UBI " and resid 6 and name HB2 ))
(( segid "UBI " and resid 5 and name HN ))
OR { 221}
(( segid "UBI " and resid 6 and name HG1 ))
(( segid "UBI " and resid 5 and name HN ))
ASSI { 222}
(( segid "UBI " and resid 3 and name HG11))
(( segid "UBI " and resid 5 and name HN ))
3.000 1.100 1.100 peak 222 spectrum 1 weight 0.10000E+01 volume 0.16132E-02 ppm1 9.165 ppm2 1.004 CV 1
OR { 222}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 5 and name HN ))
ASSI { 223}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 5 and name HN ))
3.800 1.800 1.800 peak 223 spectrum 1 weight 0.10000E+01 volume 0.71486E-03 ppm1 9.166 ppm2 0.775 CV 1
OR { 223}
(( segid "UBI " and resid 3 and name HG12))
(( segid "UBI " and resid 5 and name HN ))
ASSI { 231}
(( segid "UBI " and resid 27 and name HG1 ))
(( segid "UBI " and resid 23 and name HN ))
4.200 2.200 1.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.35266E-03 ppm1 8.652 ppm2 1.563 CV 1
OR { 231}
(( segid "UBI " and resid 54 and name HG2 ))
(( segid "UBI " and resid 23 and name HN ))
ASSI { 236}
(( segid "UBI " and resid 29 and name HA ))
(( segid "UBI " and resid 30 and name HN ))
3.500 1.500 1.500 peak 236 spectrum 1 weight 0.10000E+01 volume 0.74345E-03 ppm1 8.183 ppm2 4.155 CV 1
OR { 236}
(( segid "UBI " and resid 28 and name HA ))
(( segid "UBI " and resid 30 and name HN ))
ASSI { 257}
(( segid "UBI " and resid 62 and name HB2 ))
(( segid "UBI " and resid 63 and name HN ))
2.500 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.55759E-02 ppm1 8.296 ppm2 1.833 CV 1
OR { 257}
(( segid "UBI " and resid 63 and name HB2 ))
(( segid "UBI " and resid 63 and name HN ))
ASSI { 262}
(( segid "UBI " and resid 52 and name HB2 ))
(( segid "UBI " and resid 52 and name HN ))
2.600 0.800 0.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.68865E-02 ppm1 7.954 ppm2 2.424 CV 1
OR { 262}
(( segid "UBI " and resid 51 and name HG1 ))
(( segid "UBI " and resid 52 and name HN ))
ASSI { 265}
(( segid "UBI " and resid 32 and name HB2 ))
(( segid "UBI " and resid 32 and name HN ))
2.500 0.800 0.800 peak 265 spectrum 1 weight 0.10000E+01 volume 0.54806E-02 ppm1 7.954 ppm2 2.741 CV 1
OR { 265}
(( segid "UBI " and resid 52 and name HB1 ))
(( segid "UBI " and resid 52 and name HN ))
ASSI { 270}
(( segid "UBI " and resid 31 and name HG1 ))
(( segid "UBI " and resid 36 and name HN ))
3.200 1.200 1.200 peak 270 spectrum 1 weight 0.10000E+01 volume 0.12653E-02 ppm1 6.105 ppm2 2.209 CV 1
OR { 270}
(( segid "UBI " and resid 34 and name HB1 ))
(( segid "UBI " and resid 36 and name HN ))
ASSI { 278}
(( segid "UBI " and resid 32 and name HA ))
(( segid "UBI " and resid 32 and name HN ))
2.400 0.700 0.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.69580E-02 ppm1 7.984 ppm2 4.267 CV 1
OR { 278}
(( segid "UBI " and resid 52 and name HA ))
(( segid "UBI " and resid 52 and name HN ))
ASSI { 279}
(( segid "UBI " and resid 29 and name HA ))
(( segid "UBI " and resid 32 and name HN ))
2.700 0.900 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.36696E-02 ppm1 7.983 ppm2 4.155 CV 1
OR { 279}
(( segid "UBI " and resid 28 and name HA ))
(( segid "UBI " and resid 32 and name HN ))
ASSI { 284}
(( segid "UBI " and resid 52 and name HB2 ))
(( segid "UBI " and resid 52 and name HN ))
2.400 0.700 0.700 peak 284 spectrum 1 weight 0.10000E+01 volume 0.64575E-02 ppm1 7.985 ppm2 2.466 CV 1
OR { 284}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 32 and name HN ))
ASSI { 286}
(( segid "UBI " and resid 31 and name HB2 ))
(( segid "UBI " and resid 32 and name HN ))
3.300 1.300 1.300 peak 286 spectrum 1 weight 0.10000E+01 volume 0.20779E-02 ppm1 7.984 ppm2 1.925 CV 1
OR { 286}
(( segid "UBI " and resid 51 and name HB2 ))
(( segid "UBI " and resid 52 and name HN ))
ASSI { 294}
(( segid "UBI " and resid 33 and name HG1 ))
(( segid "UBI " and resid 32 and name HN ))
4.000 2.000 2.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.47181E-03 ppm1 7.983 ppm2 1.570 CV 1
OR { 294}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 32 and name HN ))
OR { 294}
(( segid "UBI " and resid 33 and name HG2 ))
(( segid "UBI " and resid 32 and name HN ))
OR { 294}
(( segid "UBI " and resid 33 and name HD2 ))
(( segid "UBI " and resid 32 and name HN ))
ASSI { 326}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 4 and name HN ))
4.300 2.300 1.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.46942E-03 ppm1 8.433 ppm2 0.759 CV 1
OR { 326}
(( segid "UBI " and resid 3 and name HG12))
(( segid "UBI " and resid 4 and name HN ))
ASSI { 335}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 27 and name HN ))
3.200 1.300 1.300 peak 335 spectrum 1 weight 0.10000E+01 volume 0.16656E-02 ppm1 8.500 ppm2 0.706 CV 1
OR { 335}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 27 and name HN ))
ASSI { 337}
(( segid "UBI " and resid 27 and name HE1 ))
(( segid "UBI " and resid 27 and name HN ))
4.300 2.300 1.700 peak 337 spectrum 1 weight 0.10000E+01 volume 0.37411E-03 ppm1 8.506 ppm2 2.589 CV 1
OR { 337}
(( segid "UBI " and resid 24 and name HB2 ))
(( segid "UBI " and resid 27 and name HN ))
OR { 337}
(( segid "UBI " and resid 24 and name HB1 ))
(( segid "UBI " and resid 27 and name HN ))
ASSI { 355}
( segid "UBI " and resid 56 and name HD2%)
(( segid "UBI " and resid 56 and name HN ))
3.100 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.15512E-02 ppm1 8.100 ppm2 0.548 CV 1
OR { 355}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 56 and name HN ))
ASSI { 368}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 41 and name HN ))
4.200 2.200 1.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.40509E-03 ppm1 7.378 ppm2 1.357 CV 1
OR { 368}
(( segid "UBI " and resid 36 and name HG11))
(( segid "UBI " and resid 41 and name HN ))
ASSI { 370}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 41 and name HN ))
4.400 2.500 1.600 peak 370 spectrum 1 weight 0.10000E+01 volume 0.56474E-03 ppm1 7.376 ppm2 0.776 CV 1
OR { 370}
( segid "UBI " and resid 36 and name HD1%)
(( segid "UBI " and resid 41 and name HN ))
ASSI { 374}
(( segid "UBI " and resid 16 and name HG2 ))
(( segid "UBI " and resid 17 and name HN ))
3.600 1.600 1.600 peak 374 spectrum 1 weight 0.10000E+01 volume 0.75537E-03 ppm1 8.802 ppm2 2.002 CV 1
OR { 374}
(( segid "UBI " and resid 1 and name HG2 ))
(( segid "UBI " and resid 17 and name HN ))
ASSI { 375}
(( segid "UBI " and resid 16 and name HB1 ))
(( segid "UBI " and resid 17 and name HN ))
4.100 2.100 1.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.53138E-03 ppm1 8.804 ppm2 1.851 CV 1
OR { 375}
(( segid "UBI " and resid 2 and name HG2 ))
(( segid "UBI " and resid 17 and name HN ))
ASSI { 376}
(( segid "UBI " and resid 16 and name HB2 ))
(( segid "UBI " and resid 17 and name HN ))
4.400 2.500 1.600 peak 376 spectrum 1 weight 0.10000E+01 volume 0.53376E-03 ppm1 8.801 ppm2 1.772 CV 1
OR { 376}
(( segid "UBI " and resid 2 and name HB1 ))
(( segid "UBI " and resid 17 and name HN ))
ASSI { 387}
(( segid "UBI " and resid 18 and name HB2 ))
(( segid "UBI " and resid 19 and name HN ))
4.400 2.400 1.600 peak 387 spectrum 1 weight 0.10000E+01 volume 0.35266E-03 ppm1 9.086 ppm2 1.632 CV 1
OR { 387}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 19 and name HN ))
ASSI { 393}
(( segid "UBI " and resid 27 and name HG1 ))
(( segid "UBI " and resid 28 and name HN ))
4.400 2.400 1.600 peak 393 spectrum 1 weight 0.10000E+01 volume 0.44798E-03 ppm1 8.058 ppm2 1.555 CV 1
OR { 393}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 28 and name HN ))
ASSI { 397}
(( segid "UBI " and resid 37 and name HB1 ))
(( segid "UBI " and resid 40 and name HN ))
2.900 1.100 1.100 peak 397 spectrum 1 weight 0.10000E+01 volume 0.55521E-02 ppm1 7.744 ppm2 2.371 CV 1
OR { 397}
(( segid "UBI " and resid 40 and name HG2 ))
(( segid "UBI " and resid 40 and name HN ))
OR { 397}
(( segid "UBI " and resid 40 and name HG1 ))
(( segid "UBI " and resid 40 and name HN ))
ASSI { 407}
(( segid "UBI " and resid 33 and name HA ))
(( segid "UBI " and resid 33 and name HN ))
2.700 0.900 0.900 peak 407 spectrum 1 weight 0.10000E+01 volume 0.35028E-02 ppm1 7.415 ppm2 4.251 CV 1
OR { 407}
(( segid "UBI " and resid 32 and name HA ))
(( segid "UBI " and resid 33 and name HN ))
ASSI { 414}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 33 and name HN ))
3.700 1.800 1.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.64813E-03 ppm1 7.414 ppm2 0.655 CV 1
OR { 414}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 33 and name HN ))
OR { 414}
(( segid "UBI " and resid 30 and name HG12))
(( segid "UBI " and resid 33 and name HN ))
ASSI { 416}
(( segid "UBI " and resid 58 and name HA ))
(( segid "UBI " and resid 59 and name HN ))
3.000 1.200 1.200 peak 416 spectrum 1 weight 0.10000E+01 volume 0.18205E-02 ppm1 7.167 ppm2 4.229 CV 1
OR { 416}
(( segid "UBI " and resid 57 and name HA ))
(( segid "UBI " and resid 59 and name HN ))
ASSI { 434}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 3 and name HN ))
3.700 1.700 1.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.73868E-03 ppm1 8.241 ppm2 0.658 CV 1
OR { 434}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 3 and name HN ))
OR { 434}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 3 and name HN ))
ASSI { 450}
(( segid "UBI " and resid 3 and name HB ))
(( segid "UBI " and resid 65 and name HN ))
4.100 2.100 1.900 peak 450 spectrum 1 weight 0.10000E+01 volume 0.40032E-03 ppm1 7.515 ppm2 1.661 CV 1
OR { 450}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 65 and name HN ))
ASSI { 455}
(( segid "UBI " and resid 64 and name HB1 ))
(( segid "UBI " and resid 64 and name HN ))
4.000 2.000 2.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.63623E-03 ppm1 9.134 ppm2 2.446 CV 1
OR { 455}
(( segid "UBI " and resid 1 and name HG1 ))
(( segid "UBI " and resid 64 and name HN ))
ASSI { 458}
(( segid "UBI " and resid 63 and name HB1 ))
(( segid "UBI " and resid 64 and name HN ))
3.100 1.200 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.14917E-02 ppm1 9.133 ppm2 1.975 CV 1
OR { 458}
(( segid "UBI " and resid 1 and name HB2 ))
(( segid "UBI " and resid 64 and name HN ))
ASSI { 466}
(( segid "UBI " and resid 11 and name HB2 ))
(( segid "UBI " and resid 7 and name HN ))
3.600 1.600 1.600 peak 466 spectrum 1 weight 0.10000E+01 volume 0.86021E-03 ppm1 8.339 ppm2 1.690 CV 1
OR { 466}
(( segid "UBI " and resid 6 and name HB1 ))
(( segid "UBI " and resid 7 and name HN ))
ASSI { 480}
(( segid "UBI " and resid 34 and name HB2 ))
(( segid "UBI " and resid 34 and name HN ))
2.500 0.800 0.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.44559E-02 ppm1 8.628 ppm2 1.607 CV 1
OR { 480}
(( segid "UBI " and resid 33 and name HG1 ))
(( segid "UBI " and resid 34 and name HN ))
ASSI { 481}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 34 and name HN ))
3.300 1.300 1.300 peak 481 spectrum 1 weight 0.10000E+01 volume 0.11081E-02 ppm1 8.630 ppm2 0.650 CV 1
OR { 481}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 34 and name HN ))
ASSI { 488}
(( segid "UBI " and resid 38 and name HB2 ))
(( segid "UBI " and resid 39 and name HN ))
2.500 0.800 0.800 peak 488 spectrum 1 weight 0.10000E+01 volume 0.45274E-02 ppm1 8.414 ppm2 1.979 CV 1
OR { 488}
(( segid "UBI " and resid 37 and name HB2 ))
(( segid "UBI " and resid 39 and name HN ))
ASSI { 492}
(( segid "UBI " and resid 55 and name HB ))
(( segid "UBI " and resid 57 and name HN ))
2.700 0.900 0.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.25973E-02 ppm1 8.163 ppm2 4.418 CV 1
OR { 492}
(( segid "UBI " and resid 20 and name HA ))
(( segid "UBI " and resid 57 and name HN ))
ASSI { 499}
( segid "UBI " and resid 56 and name HD2%)
(( segid "UBI " and resid 57 and name HN ))
4.100 2.100 1.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.45989E-03 ppm1 8.164 ppm2 0.549 CV 1
OR { 499}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 57 and name HN ))
ASSI { 501}
(( segid "UBI " and resid 56 and name HG ))
(( segid "UBI " and resid 57 and name HN ))
4.800 2.900 1.200 peak 501 spectrum 1 weight 0.10000E+01 volume 0.19754E-03 ppm1 8.162 ppm2 1.624 CV 1
OR { 501}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 57 and name HN ))
ASSI { 524}
(( segid "UBI " and resid 34 and name HG2 ))
(( segid "UBI " and resid 35 and name HN ))
4.700 2.700 1.300 peak 524 spectrum 1 weight 0.10000E+01 volume 0.31692E-03 ppm1 8.406 ppm2 1.995 CV 1
OR { 524}
(( segid "UBI " and resid 33 and name HB1 ))
(( segid "UBI " and resid 35 and name HN ))
ASSI { 536}
(( segid "UBI " and resid 23 and name HB ))
(( segid "UBI " and resid 53 and name HN ))
4.600 2.700 1.400 peak 536 spectrum 1 weight 0.10000E+01 volume 0.20350E-03 ppm1 9.448 ppm2 2.419 CV 1
OR { 536}
(( segid "UBI " and resid 52 and name HB2 ))
(( segid "UBI " and resid 53 and name HN ))
ASSI { 556}
(( segid "UBI " and resid 6 and name HD2 ))
(( segid "UBI " and resid 6 and name HN ))
3.900 1.900 1.900 peak 556 spectrum 1 weight 0.10000E+01 volume 0.66958E-03 ppm1 8.808 ppm2 1.535 CV 1
OR { 556}
(( segid "UBI " and resid 67 and name HB2 ))
(( segid "UBI " and resid 6 and name HN ))
OR { 556}
(( segid "UBI " and resid 6 and name HD1 ))
(( segid "UBI " and resid 6 and name HN ))
ASSI { 568}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 13 and name HN ))
3.400 1.400 1.400 peak 568 spectrum 1 weight 0.10000E+01 volume 0.11652E-02 ppm1 9.473 ppm2 0.649 CV 1
OR { 568}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 13 and name HN ))
OR { 568}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 13 and name HN ))
ASSI { 575}
(( segid "UBI " and resid 69 and name HB1 ))
(( segid "UBI " and resid 70 and name HN ))
4.500 2.500 1.500 peak 575 spectrum 1 weight 0.10000E+01 volume 0.27879E-03 ppm1 9.096 ppm2 1.592 CV 1
OR { 575}
(( segid "UBI " and resid 42 and name HG1 ))
(( segid "UBI " and resid 70 and name HN ))
OR { 575}
(( segid "UBI " and resid 41 and name HG2 ))
(( segid "UBI " and resid 70 and name HN ))
ASSI { 593}
( segid "UBI " and resid 36 and name HD1%)
(( segid "UBI " and resid 31 and name HN ))
3.900 1.900 1.900 peak 593 spectrum 1 weight 0.10000E+01 volume 0.40032E-03 ppm1 8.434 ppm2 0.790 CV 1
OR { 593}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 31 and name HN ))
OR { 593}
( segid "UBI " and resid 13 and name HG2%)
(( segid "UBI " and resid 31 and name HN ))
ASSI { 594}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 31 and name HN ))
4.500 2.500 1.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.26688E-03 ppm1 8.434 ppm2 1.370 CV 1
OR { 594}
(( segid "UBI " and resid 36 and name HG11))
(( segid "UBI " and resid 31 and name HN ))
OR { 594}
(( segid "UBI " and resid 15 and name HG ))
(( segid "UBI " and resid 31 and name HN ))
ASSI { 596}
( segid "UBI " and resid 56 and name HD2%)
(( segid "UBI " and resid 21 and name HN ))
3.700 1.700 1.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.35743E-03 ppm1 7.742 ppm2 0.581 CV 1
OR { 596}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 21 and name HN ))
ASSI { 606}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 72 and name HN ))
3.900 1.900 1.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.34551E-03 ppm1 8.385 ppm2 0.923 CV 1
OR { 606}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 72 and name HN ))
ASSI { 612}
(( segid "UBI " and resid 69 and name HN ))
(( segid "UBI " and resid 8 and name HN ))
4.400 2.400 1.600 peak 612 spectrum 1 weight 0.10000E+01 volume 0.32169E-03 ppm1 8.806 ppm2 8.350 CV 1
OR { 612}
(( segid "UBI " and resid 7 and name HN ))
(( segid "UBI " and resid 8 and name HN ))
ASSI { 614}
(( segid "UBI " and resid 55 and name HB ))
(( segid "UBI " and resid 23 and name HN ))
4.300 2.400 1.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.16108E-03 ppm1 8.653 ppm2 4.423 CV 1
OR { 614}
(( segid "UBI " and resid 51 and name HA ))
(( segid "UBI " and resid 23 and name HN ))
ASSI { 619}
(( segid "UBI " and resid 46 and name HN ))
(( segid "UBI " and resid 47 and name HN ))
3.600 1.600 1.600 peak 619 spectrum 1 weight 0.10000E+01 volume 0.56236E-03 ppm1 8.043 ppm2 8.885 CV 1
OR { 619}
(( segid "UBI " and resid 45 and name HN ))
(( segid "UBI " and resid 47 and name HN ))
ASSI { 621}
(( segid "UBI " and resid 15 and name HG ))
(( segid "UBI " and resid 30 and name HN ))
4.000 2.000 2.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.43130E-03 ppm1 8.182 ppm2 1.399 CV 1
OR { 621}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 30 and name HN ))
OR { 621}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 30 and name HN ))
ASSI { 631}
(( segid "UBI " and resid 55 and name HB ))
(( segid "UBI " and resid 22 and name HN ))
4.200 2.200 1.800 peak 631 spectrum 1 weight 0.10000E+01 volume 0.29547E-03 ppm1 7.854 ppm2 4.406 CV 1
OR { 631}
(( segid "UBI " and resid 20 and name HA ))
(( segid "UBI " and resid 22 and name HN ))
ASSI { 644}
( segid "UBI " and resid 50 and name HD1%)
(( segid "UBI " and resid 44 and name HN ))
4.000 2.000 2.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.30739E-03 ppm1 9.095 ppm2 0.496 CV 1
OR { 644}
( segid "UBI " and resid 70 and name HG2%)
(( segid "UBI " and resid 44 and name HN ))
ASSI { 648}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 14 and name HN ))
3.700 1.700 1.700 peak 648 spectrum 1 weight 0.10000E+01 volume 0.37411E-03 ppm1 8.568 ppm2 0.668 CV 1
OR { 648}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 14 and name HN ))
OR { 648}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 14 and name HN ))
ASSI { 650}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 26 and name HN ))
4.200 2.200 1.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.55044E-03 ppm1 7.983 ppm2 0.534 CV 1
OR { 650}
( segid "UBI " and resid 3 and name HD1%)
(( segid "UBI " and resid 26 and name HN ))
ASSI { 651}
(( segid "UBI " and resid 29 and name HG1 ))
(( segid "UBI " and resid 26 and name HN ))
4.100 2.100 1.900 peak 651 spectrum 1 weight 0.10000E+01 volume 0.25020E-03 ppm1 7.978 ppm2 1.689 CV 1
OR { 651}
(( segid "UBI " and resid 27 and name HD2 ))
(( segid "UBI " and resid 26 and name HN ))
OR { 651}
(( segid "UBI " and resid 29 and name HD1 ))
(( segid "UBI " and resid 26 and name HN ))
OR { 651}
(( segid "UBI " and resid 27 and name HD1 ))
(( segid "UBI " and resid 26 and name HN ))
ASSI { 657}
(( segid "UBI " and resid 36 and name HB ))
(( segid "UBI " and resid 41 and name HE21))
3.500 1.500 1.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.72677E-03 ppm1 6.398 ppm2 1.387 CV 1
OR { 657}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 41 and name HE21))
ASSI { 658}
(( segid "UBI " and resid 36 and name HB ))
(( segid "UBI " and resid 41 and name HE22))
3.400 1.400 1.400 peak 658 spectrum 1 weight 0.10000E+01 volume 0.88167E-03 ppm1 6.120 ppm2 1.381 CV 1
OR { 658}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 41 and name HE22))
ASSI { 661}
(( segid "UBI " and resid 41 and name HB1 ))
(( segid "UBI " and resid 41 and name HE21))
4.100 2.100 1.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.36934E-03 ppm1 6.392 ppm2 1.915 CV 1
OR { 661}
(( segid "UBI " and resid 31 and name HB2 ))
(( segid "UBI " and resid 41 and name HE21))
ASSI { 662}
(( segid "UBI " and resid 41 and name HB1 ))
(( segid "UBI " and resid 41 and name HE22))
3.700 1.700 1.700 peak 662 spectrum 1 weight 0.10000E+01 volume 0.47419E-03 ppm1 6.119 ppm2 1.932 CV 1
OR { 662}
(( segid "UBI " and resid 31 and name HB2 ))
(( segid "UBI " and resid 41 and name HE22))
ASSI { 664}
(( segid "UBI " and resid 30 and name HB ))
(( segid "UBI " and resid 41 and name HE21))
3.600 1.600 1.600 peak 664 spectrum 1 weight 0.10000E+01 volume 0.15322E-02 ppm1 6.394 ppm2 2.261 CV 1
OR { 664}
(( segid "UBI " and resid 38 and name HB1 ))
(( segid "UBI " and resid 41 and name HE21))
ASSI { 666}
(( segid "UBI " and resid 41 and name HG1 ))
(( segid "UBI " and resid 41 and name HE22))
3.500 1.500 1.500 peak 666 spectrum 1 weight 0.10000E+01 volume 0.16751E-02 ppm1 6.123 ppm2 2.507 CV 1
OR { 666}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 41 and name HE22))
ASSI { 669}
(( segid "UBI " and resid 31 and name HN ))
(( segid "UBI " and resid 41 and name HE21))
4.200 2.200 1.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.54329E-03 ppm1 6.397 ppm2 8.425 CV 1
OR { 669}
(( segid "UBI " and resid 39 and name HN ))
(( segid "UBI " and resid 41 and name HE21))
ASSI { 673}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 30 and name HN ))
4.500 2.600 1.500 peak 673 spectrum 1 weight 0.10000E+01 volume 0.34789E-03 ppm1 8.178 ppm2 1.530 CV 1
OR { 673}
(( segid "UBI " and resid 27 and name HG1 ))
(( segid "UBI " and resid 30 and name HN ))
ASSI { 680}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 66 and name HN ))
4.200 2.200 1.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.26688E-03 ppm1 8.530 ppm2 0.585 CV 1
OR { 680}
( segid "UBI " and resid 67 and name HD2%)
(( segid "UBI " and resid 66 and name HN ))
ASSI { 682}
(( segid "UBI " and resid 35 and name HN ))
(( segid "UBI " and resid 33 and name HN ))
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OR { 682}
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ASSI { 688}
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4.000 2.000 2.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.29547E-03 ppm1 8.639 ppm2 1.059 CV 1
OR { 688}
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ASSI { 718}
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2.800 1.000 1.000 peak 718 spectrum 1 weight 0.10000E+01 volume 0.33837E-02 ppm1 7.864 ppm2 4.290 CV 1
OR { 718}
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ASSI { 719}
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3.800 1.800 1.800 peak 719 spectrum 1 weight 0.10000E+01 volume 0.34313E-03 ppm1 7.859 ppm2 1.199 CV 1
OR { 719}
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ASSI { 723}
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3.200 1.300 1.300 peak 723 spectrum 1 weight 0.10000E+01 volume 0.94835E-03 ppm1 7.380 ppm2 6.128 CV 1
OR { 723}
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ASSI { 1}
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2.400 0.700 0.700 peak 1 spectrum 1 weight 0.10000E+01 volume 0.50016E-02 ppm1 1.172 ppm2 0.678 CV 1
OR { 1}
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ASSI { 4}
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2.600 0.900 0.900 peak 4 spectrum 1 weight 0.10000E+01 volume 0.57074E-02 ppm1 1.330 ppm2 0.669 CV 1
OR { 4}
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ASSI { 17}
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2.900 1.000 1.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.27402E-02 ppm1 1.135 ppm2 1.457 CV 1
OR { 17}
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ASSI { 25}
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2.500 0.800 0.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.53391E-02 ppm1 3.132 ppm2 1.723 CV 1
OR { 25}
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OR { 25}
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OR { 25}
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ASSI { 26}
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1.900 0.500 0.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.20682E-01 ppm1 3.134 ppm2 1.511 CV 1
OR { 26}
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OR { 26}
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OR { 26}
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ASSI { 48}
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4.400 2.400 1.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.45720E-03 ppm1 2.987 ppm2 4.981 CV 1
OR { 48}
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ASSI { 52}
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3.100 1.200 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.17675E-02 ppm1 3.134 ppm2 4.364 CV 1
OR { 52}
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OR { 52}
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ASSI { 53}
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3.100 1.200 1.200 peak 53 spectrum 1 weight 0.10000E+01 volume 0.14115E-02 ppm1 3.070 ppm2 1.576 CV 1
OR { 53}
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OR { 53}
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ASSI { 58}
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3.000 1.200 1.200 peak 58 spectrum 1 weight 0.10000E+01 volume 0.26420E-02 ppm1 2.633 ppm2 1.448 CV 1
OR { 58}
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OR { 58}
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ASSI { 66}
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2.600 0.800 0.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.45413E-02 ppm1 3.123 ppm2 1.547 CV 1
OR { 66}
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OR { 66}
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ASSI { 69}
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3.000 1.200 1.200 peak 69 spectrum 1 weight 0.10000E+01 volume 0.19945E-02 ppm1 3.115 ppm2 0.683 CV 1
OR { 69}
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OR { 69}
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ASSI { 76}
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3.800 1.800 1.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.62597E-03 ppm1 2.952 ppm2 0.675 CV 1
OR { 76}
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ASSI { 91}
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3.200 1.300 1.300 peak 91 spectrum 1 weight 0.10000E+01 volume 0.16907E-02 ppm1 0.974 ppm2 0.736 CV 1
OR { 91}
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OR { 91}
( segid "UBI " and resid 43 and name HD2%)
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ASSI { 111}
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2.500 0.800 0.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.50937E-02 ppm1 1.818 ppm2 0.678 CV 1
OR { 111}
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ASSI { 129}
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3.400 1.500 1.500 peak 129 spectrum 1 weight 0.10000E+01 volume 0.77634E-03 ppm1 2.505 ppm2 0.709 CV 1
OR { 129}
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ASSI { 130}
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3.000 1.100 1.100 peak 130 spectrum 1 weight 0.10000E+01 volume 0.16386E-02 ppm1 2.929 ppm2 0.704 CV 1
OR { 130}
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ASSI { 144}
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2.900 1.000 1.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.19822E-02 ppm1 1.243 ppm2 1.646 CV 1
OR { 144}
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ASSI { 150}
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3.400 1.400 1.400 peak 150 spectrum 1 weight 0.10000E+01 volume 0.73337E-03 ppm1 2.031 ppm2 1.649 CV 1
OR { 150}
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ASSI { 157}
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3.100 1.200 1.200 peak 157 spectrum 1 weight 0.10000E+01 volume 0.15557E-02 ppm1 2.463 ppm2 0.409 CV 1
OR { 157}
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ASSI { 165}
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(( segid "UBI " and resid 16 and name HG1 ))
1.500 0.300 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.65052E-01 ppm1 2.176 ppm2 2.033 CV 1
OR { 165}
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ASSI { 170}
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(( segid "UBI " and resid 2 and name HB1 ))
1.700 0.400 0.500 peak 170 spectrum 1 weight 0.10000E+01 volume 0.33447E-01 ppm1 1.813 ppm2 1.570 CV 1
OR { 170}
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(( segid "UBI " and resid 74 and name HB1 ))
ASSI { 171}
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2.300 0.600 0.600 peak 171 spectrum 1 weight 0.10000E+01 volume 0.12213E-01 ppm1 1.797 ppm2 2.025 CV 1
OR { 171}
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ASSI { 172}
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(( segid "UBI " and resid 16 and name HB2 ))
2.500 0.800 0.800 peak 172 spectrum 1 weight 0.10000E+01 volume 0.53391E-02 ppm1 1.800 ppm2 2.164 CV 1
OR { 172}
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ASSI { 193}
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2.400 0.700 0.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.54926E-02 ppm1 1.705 ppm2 4.091 CV 1
OR { 193}
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ASSI { 203}
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3.000 1.200 1.200 peak 203 spectrum 1 weight 0.10000E+01 volume 0.18227E-02 ppm1 1.035 ppm2 0.670 CV 1
OR { 203}
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OR { 203}
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OR { 203}
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ASSI { 207}
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2.400 0.700 0.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.51243E-02 ppm1 0.577 ppm2 1.678 CV 1
OR { 207}
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ASSI { 209}
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( segid "UBI " and resid 3 and name HG2%)
3.500 1.500 1.500 peak 209 spectrum 1 weight 0.10000E+01 volume 0.75178E-03 ppm1 0.581 ppm2 3.940 CV 1
OR { 209}
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( segid "UBI " and resid 3 and name HG2%)
ASSI { 229}
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3.400 1.400 1.400 peak 229 spectrum 1 weight 0.10000E+01 volume 0.13194E-02 ppm1 4.771 ppm2 0.817 CV 1
OR { 229}
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ASSI { 234}
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3.200 1.300 1.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.13379E-02 ppm1 1.885 ppm2 1.077 CV 1
OR { 234}
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(( segid "UBI " and resid 5 and name HB ))
ASSI { 235}
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3.100 1.200 1.200 peak 235 spectrum 1 weight 0.10000E+01 volume 0.20467E-02 ppm1 1.883 ppm2 0.816 CV 1
OR { 235}
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OR { 235}
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OR { 235}
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OR { 235}
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OR { 235}
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ASSI { 236}
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1.900 0.500 0.500 peak 236 spectrum 1 weight 0.10000E+01 volume 0.22983E-01 ppm1 1.879 ppm2 0.666 CV 1
OR { 236}
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OR { 236}
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ASSI { 237}
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( segid "UBI " and resid 5 and name HG1%)
2.200 0.600 0.600 peak 237 spectrum 1 weight 0.10000E+01 volume 0.93590E-02 ppm1 0.651 ppm2 1.024 CV 1
OR { 237}
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( segid "UBI " and resid 17 and name HG1%)
ASSI { 239}
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( segid "UBI " and resid 5 and name HG1%)
2.800 1.000 1.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.31912E-02 ppm1 0.649 ppm2 1.593 CV 1
OR { 239}
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( segid "UBI " and resid 5 and name HG1%)
OR { 239}
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( segid "UBI " and resid 5 and name HG1%)
ASSI { 242}
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( segid "UBI " and resid 17 and name HG1%)
3.500 1.500 1.500 peak 242 spectrum 1 weight 0.10000E+01 volume 0.88984E-03 ppm1 0.649 ppm2 4.873 CV 1
OR { 242}
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( segid "UBI " and resid 5 and name HG1%)
ASSI { 243}
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( segid "UBI " and resid 5 and name HG1%)
3.400 1.500 1.500 peak 243 spectrum 1 weight 0.10000E+01 volume 0.10740E-02 ppm1 0.648 ppm2 5.011 CV 1
OR { 243}
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( segid "UBI " and resid 5 and name HG1%)
OR { 243}
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( segid "UBI " and resid 5 and name HG1%)
ASSI { 245}
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( segid "UBI " and resid 70 and name HG1%)
2.200 0.600 0.600 peak 245 spectrum 1 weight 0.10000E+01 volume 0.10433E-01 ppm1 0.686 ppm2 1.870 CV 1
OR { 245}
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( segid "UBI " and resid 5 and name HG2%)
ASSI { 246}
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( segid "UBI " and resid 5 and name HG2%)
2.800 1.000 1.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.30132E-02 ppm1 0.686 ppm2 1.578 CV 1
OR { 246}
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OR { 246}
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( segid "UBI " and resid 5 and name HG2%)
OR { 246}
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( segid "UBI " and resid 5 and name HG2%)
OR { 246}
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( segid "UBI " and resid 70 and name HG1%)
ASSI { 247}
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2.800 1.000 1.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.29795E-02 ppm1 0.683 ppm2 1.385 CV 1
OR { 247}
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( segid "UBI " and resid 5 and name HG2%)
OR { 247}
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( segid "UBI " and resid 5 and name HG2%)
OR { 247}
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( segid "UBI " and resid 5 and name HG2%)
ASSI { 248}
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( segid "UBI " and resid 5 and name HG2%)
2.600 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.35287E-02 ppm1 0.685 ppm2 1.023 CV 1
OR { 248}
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( segid "UBI " and resid 5 and name HG2%)
ASSI { 267}
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(( segid "UBI " and resid 6 and name HE1 ))
2.900 1.000 1.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.24793E-02 ppm1 2.879 ppm2 1.207 CV 1
OR { 267}
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(( segid "UBI " and resid 11 and name HE1 ))
OR { 267}
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OR { 267}
(( segid "UBI " and resid 11 and name HG2 ))
(( segid "UBI " and resid 11 and name HE2 ))
ASSI { 268}
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(( segid "UBI " and resid 11 and name HE2 ))
2.800 0.900 0.900 peak 268 spectrum 1 weight 0.10000E+01 volume 0.29734E-02 ppm1 2.880 ppm2 1.389 CV 1
OR { 268}
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(( segid "UBI " and resid 11 and name HE1 ))
OR { 268}
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(( segid "UBI " and resid 6 and name HE1 ))
OR { 268}
(( segid "UBI " and resid 6 and name HG1 ))
(( segid "UBI " and resid 6 and name HE2 ))
ASSI { 275}
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(( segid "UBI " and resid 11 and name HG2 ))
2.500 0.800 0.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.45107E-02 ppm1 1.208 ppm2 1.683 CV 1
OR { 275}
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ASSI { 284}
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3.800 1.800 1.800 peak 284 spectrum 1 weight 0.10000E+01 volume 0.85303E-03 ppm1 4.885 ppm2 0.685 CV 1
OR { 284}
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ASSI { 295}
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( segid "UBI " and resid 7 and name HG2%)
2.300 0.700 0.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.73337E-02 ppm1 1.119 ppm2 0.682 CV 1
OR { 295}
( segid "UBI " and resid 5 and name HG1%)
( segid "UBI " and resid 7 and name HG2%)
ASSI { 296}
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( segid "UBI " and resid 7 and name HG2%)
3.100 1.200 1.200 peak 296 spectrum 1 weight 0.10000E+01 volume 0.22338E-02 ppm1 1.121 ppm2 0.815 CV 1
OR { 296}
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OR { 296}
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( segid "UBI " and resid 7 and name HG2%)
ASSI { 297}
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2.900 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.28783E-02 ppm1 1.115 ppm2 1.377 CV 1
OR { 297}
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( segid "UBI " and resid 7 and name HG2%)
OR { 297}
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( segid "UBI " and resid 7 and name HG2%)
ASSI { 310}
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2.600 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.49710E-02 ppm1 0.939 ppm2 1.845 CV 1
OR { 310}
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( segid "UBI " and resid 71 and name HD1%)
OR { 310}
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( segid "UBI " and resid 71 and name HD1%)
ASSI { 342}
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2.600 0.800 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.31299E-02 ppm1 1.650 ppm2 1.377 CV 1
OR { 342}
(( segid "UBI " and resid 11 and name HG1 ))
(( segid "UBI " and resid 11 and name HB2 ))
ASSI { 343}
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3.500 1.500 1.500 peak 343 spectrum 1 weight 0.10000E+01 volume 0.92971E-03 ppm1 1.656 ppm2 1.106 CV 1
OR { 343}
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(( segid "UBI " and resid 34 and name HB2 ))
ASSI { 354}
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(( segid "UBI " and resid 11 and name HG1 ))
1.700 0.300 0.500 peak 354 spectrum 1 weight 0.10000E+01 volume 0.28936E-01 ppm1 1.367 ppm2 1.195 CV 1
OR { 354}
(( segid "UBI " and resid 6 and name HG2 ))
(( segid "UBI " and resid 6 and name HG1 ))
ASSI { 358}
( segid "UBI " and resid 5 and name HG2%)
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3.400 1.400 1.400 peak 358 spectrum 1 weight 0.10000E+01 volume 0.82232E-03 ppm1 4.906 ppm2 0.665 CV 1
OR { 358}
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OR { 358}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 14 and name HA ))
ASSI { 381}
(( segid "UBI " and resid 34 and name HG2 ))
( segid "UBI " and resid 13 and name HD1%)
2.900 1.000 1.000 peak 381 spectrum 1 weight 0.10000E+01 volume 0.20191E-02 ppm1 0.686 ppm2 2.005 CV 1
OR { 381}
(( segid "UBI " and resid 33 and name HB1 ))
( segid "UBI " and resid 13 and name HD1%)
ASSI { 387}
(( segid "UBI " and resid 36 and name HA ))
(( segid "UBI " and resid 36 and name HG12))
2.800 1.000 1.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.20191E-02 ppm1 1.065 ppm2 4.406 CV 1
OR { 387}
(( segid "UBI " and resid 13 and name HA ))
(( segid "UBI " and resid 13 and name HG12))
ASSI { 393}
(( segid "UBI " and resid 2 and name HB1 ))
( segid "UBI " and resid 14 and name HG2%)
3.100 1.200 1.200 peak 393 spectrum 1 weight 0.10000E+01 volume 0.13133E-02 ppm1 1.087 ppm2 1.819 CV 1
OR { 393}
(( segid "UBI " and resid 16 and name HB2 ))
( segid "UBI " and resid 14 and name HG2%)
OR { 393}
(( segid "UBI " and resid 13 and name HB ))
( segid "UBI " and resid 7 and name HG2%)
OR { 393}
(( segid "UBI " and resid 8 and name HB1 ))
( segid "UBI " and resid 7 and name HG2%)
ASSI { 394}
(( segid "UBI " and resid 2 and name HG2 ))
( segid "UBI " and resid 14 and name HG2%)
3.200 1.200 1.200 peak 394 spectrum 1 weight 0.10000E+01 volume 0.14882E-02 ppm1 1.086 ppm2 1.879 CV 1
OR { 394}
(( segid "UBI " and resid 5 and name HB ))
( segid "UBI " and resid 7 and name HG2%)
OR { 394}
(( segid "UBI " and resid 8 and name HB1 ))
( segid "UBI " and resid 7 and name HG2%)
ASSI { 395}
(( segid "UBI " and resid 2 and name HG1 ))
( segid "UBI " and resid 14 and name HG2%)
3.400 1.500 1.500 peak 395 spectrum 1 weight 0.10000E+01 volume 0.12243E-02 ppm1 1.087 ppm2 2.206 CV 1
OR { 395}
(( segid "UBI " and resid 54 and name HB1 ))
( segid "UBI " and resid 55 and name HG2%)
ASSI { 397}
(( segid "UBI " and resid 14 and name HA ))
( segid "UBI " and resid 14 and name HG2%)
2.400 0.700 0.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.52778E-02 ppm1 1.090 ppm2 4.899 CV 1
OR { 397}
(( segid "UBI " and resid 7 and name HA ))
( segid "UBI " and resid 7 and name HG2%)
ASSI { 398}
(( segid "UBI " and resid 2 and name HB2 ))
( segid "UBI " and resid 14 and name HG2%)
2.700 0.900 0.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.29764E-02 ppm1 1.086 ppm2 1.567 CV 1
OR { 398}
(( segid "UBI " and resid 11 and name HD1 ))
( segid "UBI " and resid 7 and name HG2%)
OR { 398}
(( segid "UBI " and resid 54 and name HG2 ))
( segid "UBI " and resid 55 and name HG2%)
ASSI { 420}
(( segid "UBI " and resid 49 and name HG2 ))
(( segid "UBI " and resid 49 and name HG1 ))
1.500 0.300 0.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.58915E-01 ppm1 2.310 ppm2 2.194 CV 1
OR { 420}
(( segid "UBI " and resid 18 and name HG2 ))
(( segid "UBI " and resid 18 and name HG1 ))
ASSI { 422}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 17 and name HB ))
1.900 0.500 0.500 peak 422 spectrum 1 weight 0.10000E+01 volume 0.20405E-01 ppm1 2.299 ppm2 0.675 CV 1
OR { 422}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 30 and name HB ))
OR { 422}
(( segid "UBI " and resid 30 and name HG12))
(( segid "UBI " and resid 30 and name HB ))
ASSI { 427}
(( segid "UBI " and resid 29 and name HE1 ))
( segid "UBI " and resid 17 and name HG1%)
3.200 1.300 1.300 peak 427 spectrum 1 weight 0.10000E+01 volume 0.10985E-02 ppm1 0.677 ppm2 3.112 CV 1
OR { 427}
(( segid "UBI " and resid 25 and name HB1 ))
( segid "UBI " and resid 17 and name HG1%)
ASSI { 428}
(( segid "UBI " and resid 29 and name HE2 ))
( segid "UBI " and resid 17 and name HG1%)
3.600 1.600 1.600 peak 428 spectrum 1 weight 0.10000E+01 volume 0.83767E-03 ppm1 0.678 ppm2 2.948 CV 1
OR { 428}
(( segid "UBI " and resid 21 and name HB1 ))
( segid "UBI " and resid 17 and name HG1%)
ASSI { 431}
(( segid "UBI " and resid 29 and name HD2 ))
( segid "UBI " and resid 17 and name HG1%)
2.800 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.20988E-02 ppm1 0.675 ppm2 1.393 CV 1
OR { 431}
(( segid "UBI " and resid 15 and name HG ))
( segid "UBI " and resid 17 and name HG1%)
ASSI { 432}
(( segid "UBI " and resid 15 and name HB1 ))
( segid "UBI " and resid 17 and name HG1%)
2.800 1.000 1.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.26727E-02 ppm1 0.673 ppm2 1.332 CV 1
OR { 432}
(( segid "UBI " and resid 69 and name HG ))
( segid "UBI " and resid 5 and name HG1%)
ASSI { 433}
( segid "UBI " and resid 7 and name HG2%)
( segid "UBI " and resid 5 and name HG1%)
2.500 0.800 0.800 peak 433 spectrum 1 weight 0.10000E+01 volume 0.60143E-02 ppm1 0.675 ppm2 1.157 CV 1
OR { 433}
(( segid "UBI " and resid 15 and name HB2 ))
( segid "UBI " and resid 17 and name HG1%)
ASSI { 439}
(( segid "UBI " and resid 1 and name HG2 ))
( segid "UBI " and resid 17 and name HG2%)
2.900 1.000 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.24793E-02 ppm1 0.407 ppm2 2.007 CV 1
OR { 439}
(( segid "UBI " and resid 56 and name HB1 ))
( segid "UBI " and resid 17 and name HG2%)
OR { 439}
(( segid "UBI " and resid 16 and name HG2 ))
( segid "UBI " and resid 17 and name HG2%)
ASSI { 440}
(( segid "UBI " and resid 1 and name HB1 ))
( segid "UBI " and resid 17 and name HG2%)
3.600 1.600 1.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.97272E-03 ppm1 0.417 ppm2 2.135 CV 1
OR { 440}
(( segid "UBI " and resid 18 and name HB1 ))
( segid "UBI " and resid 17 and name HG2%)
ASSI { 456}
(( segid "UBI " and resid 37 and name HD1 ))
(( segid "UBI " and resid 36 and name HA ))
2.000 0.500 0.500 peak 456 spectrum 1 weight 0.10000E+01 volume 0.13501E-01 ppm1 4.379 ppm2 4.120 CV 1
OR { 456}
(( segid "UBI " and resid 20 and name HB1 ))
(( segid "UBI " and resid 20 and name HA ))
ASSI { 458}
(( segid "UBI " and resid 20 and name HB2 ))
(( segid "UBI " and resid 20 and name HA ))
2.400 0.700 0.700 peak 458 spectrum 1 weight 0.10000E+01 volume 0.55846E-02 ppm1 4.372 ppm2 3.740 CV 1
OR { 458}
(( segid "UBI " and resid 57 and name HB2 ))
(( segid "UBI " and resid 20 and name HA ))
ASSI { 459}
(( segid "UBI " and resid 36 and name HG12))
(( segid "UBI " and resid 36 and name HA ))
2.700 0.900 0.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.25469E-02 ppm1 4.372 ppm2 1.112 CV 1
OR { 459}
( segid "UBI " and resid 55 and name HG2%)
(( segid "UBI " and resid 20 and name HA ))
ASSI { 480}
(( segid "UBI " and resid 40 and name HB2 ))
(( segid "UBI " and resid 40 and name HG1 ))
2.200 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.89603E-02 ppm1 2.369 ppm2 1.795 CV 1
OR { 480}
(( segid "UBI " and resid 23 and name HG11))
(( segid "UBI " and resid 23 and name HB ))
OR { 480}
(( segid "UBI " and resid 40 and name HB2 ))
(( segid "UBI " and resid 40 and name HG2 ))
ASSI { 485}
(( segid "UBI " and resid 41 and name HB1 ))
(( segid "UBI " and resid 40 and name HG2 ))
3.400 1.400 1.400 peak 485 spectrum 1 weight 0.10000E+01 volume 0.15956E-02 ppm1 2.373 ppm2 1.949 CV 1
OR { 485}
(( segid "UBI " and resid 37 and name HB2 ))
(( segid "UBI " and resid 40 and name HG1 ))
OR { 485}
(( segid "UBI " and resid 37 and name HB2 ))
(( segid "UBI " and resid 40 and name HG2 ))
ASSI { 499}
(( segid "UBI " and resid 50 and name HB2 ))
(( segid "UBI " and resid 23 and name HG12))
2.900 1.100 1.100 peak 499 spectrum 1 weight 0.10000E+01 volume 0.27463E-02 ppm1 1.278 ppm2 0.968 CV 1
OR { 499}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 69 and name HG ))
ASSI { 500}
( segid "UBI " and resid 69 and name HD2%)
(( segid "UBI " and resid 69 and name HG ))
2.800 1.000 1.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 1.279 ppm2 0.732 CV 1
OR { 500}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 23 and name HG12))
ASSI { 526}
( segid "UBI " and resid 26 and name HG2%)
(( segid "UBI " and resid 26 and name HA ))
2.400 0.700 0.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.65052E-02 ppm1 3.331 ppm2 0.657 CV 1
OR { 526}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 26 and name HA ))
ASSI { 530}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 26 and name HB ))
2.600 0.900 0.900 peak 530 spectrum 1 weight 0.10000E+01 volume 0.32526E-02 ppm1 2.314 ppm2 0.729 CV 1
OR { 530}
( segid "UBI " and resid 43 and name HD1%)
(( segid "UBI " and resid 26 and name HB ))
ASSI { 531}
( segid "UBI " and resid 26 and name HG2%)
( segid "UBI " and resid 26 and name HG1%)
2.000 0.500 0.500 peak 531 spectrum 1 weight 0.10000E+01 volume 0.16017E-01 ppm1 0.938 ppm2 0.662 CV 1
OR { 531}
( segid "UBI " and resid 17 and name HG1%)
( segid "UBI " and resid 26 and name HG1%)
ASSI { 533}
(( segid "UBI " and resid 56 and name HG ))
( segid "UBI " and resid 26 and name HG1%)
3.500 1.500 1.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.10003E-02 ppm1 0.935 ppm2 1.658 CV 1
OR { 533}
(( segid "UBI " and resid 27 and name HD2 ))
( segid "UBI " and resid 26 and name HG1%)
OR { 533}
(( segid "UBI " and resid 3 and name HB ))
( segid "UBI " and resid 26 and name HG1%)
OR { 533}
(( segid "UBI " and resid 27 and name HD1 ))
( segid "UBI " and resid 26 and name HG1%)
ASSI { 535}
(( segid "UBI " and resid 21 and name HB2 ))
( segid "UBI " and resid 26 and name HG1%)
3.200 1.300 1.300 peak 535 spectrum 1 weight 0.10000E+01 volume 0.19884E-02 ppm1 0.939 ppm2 2.498 CV 1
OR { 535}
(( segid "UBI " and resid 31 and name HB1 ))
( segid "UBI " and resid 26 and name HG1%)
ASSI { 536}
(( segid "UBI " and resid 21 and name HB1 ))
( segid "UBI " and resid 26 and name HG1%)
3.200 1.300 1.300 peak 536 spectrum 1 weight 0.10000E+01 volume 0.13563E-02 ppm1 0.939 ppm2 2.920 CV 1
OR { 536}
(( segid "UBI " and resid 29 and name HE2 ))
( segid "UBI " and resid 26 and name HG1%)
ASSI { 541}
(( segid "UBI " and resid 29 and name HD2 ))
( segid "UBI " and resid 26 and name HG1%)
3.200 1.300 1.300 peak 541 spectrum 1 weight 0.10000E+01 volume 0.12673E-02 ppm1 0.939 ppm2 1.419 CV 1
OR { 541}
(( segid "UBI " and resid 15 and name HG ))
( segid "UBI " and resid 26 and name HG1%)
OR { 541}
(( segid "UBI " and resid 27 and name HG2 ))
( segid "UBI " and resid 26 and name HG1%)
ASSI { 551}
(( segid "UBI " and resid 30 and name HG12))
(( segid "UBI " and resid 27 and name HA ))
3.500 1.500 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.16662E-02 ppm1 4.566 ppm2 0.663 CV 1
OR { 551}
( segid "UBI " and resid 26 and name HG2%)
(( segid "UBI " and resid 27 and name HA ))
OR { 551}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 27 and name HA ))
ASSI { 554}
(( segid "UBI " and resid 27 and name HG1 ))
(( segid "UBI " and resid 27 and name HB1 ))
2.500 0.800 0.800 peak 554 spectrum 1 weight 0.10000E+01 volume 0.47562E-02 ppm1 2.056 ppm2 1.561 CV 1
OR { 554}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 29 and name HB1 ))
ASSI { 560}
(( segid "UBI " and resid 29 and name HD1 ))
(( segid "UBI " and resid 29 and name HB1 ))
2.200 0.600 0.600 peak 560 spectrum 1 weight 0.10000E+01 volume 0.85303E-02 ppm1 2.078 ppm2 1.716 CV 1
OR { 560}
(( segid "UBI " and resid 27 and name HD1 ))
(( segid "UBI " and resid 27 and name HB1 ))
OR { 560}
(( segid "UBI " and resid 29 and name HG1 ))
(( segid "UBI " and resid 29 and name HB1 ))
ASSI { 561}
(( segid "UBI " and resid 29 and name HD2 ))
(( segid "UBI " and resid 29 and name HD1 ))
1.700 0.400 0.500 peak 561 spectrum 1 weight 0.10000E+01 volume 0.33140E-01 ppm1 1.718 ppm2 1.418 CV 1
OR { 561}
(( segid "UBI " and resid 63 and name HG2 ))
(( segid "UBI " and resid 63 and name HD2 ))
OR { 561}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 27 and name HD1 ))
OR { 561}
(( segid "UBI " and resid 63 and name HG1 ))
(( segid "UBI " and resid 63 and name HD1 ))
OR { 561}
(( segid "UBI " and resid 63 and name HG2 ))
(( segid "UBI " and resid 63 and name HD1 ))
OR { 561}
(( segid "UBI " and resid 63 and name HG1 ))
(( segid "UBI " and resid 63 and name HD2 ))
ASSI { 562}
(( segid "UBI " and resid 63 and name HB1 ))
(( segid "UBI " and resid 63 and name HD1 ))
2.200 0.600 0.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.10003E-01 ppm1 1.707 ppm2 1.994 CV 1
OR { 562}
(( segid "UBI " and resid 63 and name HB1 ))
(( segid "UBI " and resid 63 and name HD2 ))
OR { 562}
(( segid "UBI " and resid 38 and name HB2 ))
(( segid "UBI " and resid 27 and name HD1 ))
OR { 562}
(( segid "UBI " and resid 1 and name HB2 ))
(( segid "UBI " and resid 63 and name HD2 ))
ASSI { 564}
(( segid "UBI " and resid 24 and name HA ))
(( segid "UBI " and resid 27 and name HD2 ))
3.200 1.300 1.300 peak 564 spectrum 1 weight 0.10000E+01 volume 0.12120E-02 ppm1 1.715 ppm2 4.161 CV 1
OR { 564}
(( segid "UBI " and resid 29 and name HA ))
(( segid "UBI " and resid 29 and name HD1 ))
OR { 564}
(( segid "UBI " and resid 24 and name HA ))
(( segid "UBI " and resid 27 and name HD1 ))
ASSI { 567}
(( segid "UBI " and resid 29 and name HG1 ))
(( segid "UBI " and resid 29 and name HG2 ))
1.600 0.300 0.600 peak 567 spectrum 1 weight 0.10000E+01 volume 0.35902E-01 ppm1 1.546 ppm2 1.718 CV 1
OR { 567}
(( segid "UBI " and resid 27 and name HD2 ))
(( segid "UBI " and resid 27 and name HG1 ))
OR { 567}
(( segid "UBI " and resid 42 and name HB1 ))
(( segid "UBI " and resid 42 and name HG2 ))
OR { 567}
(( segid "UBI " and resid 29 and name HD1 ))
(( segid "UBI " and resid 29 and name HG2 ))
ASSI { 579}
(( segid "UBI " and resid 38 and name HB1 ))
(( segid "UBI " and resid 28 and name HB2 ))
3.100 3.100 2.900 peak 579 spectrum 1 weight 0.10000E+01 volume 0.12520E-02 ppm1 4.082 ppm2 2.220 CV 1
OR { 579}
(( segid "UBI " and resid 38 and name HB1 ))
(( segid "UBI " and resid 28 and name HB1 ))
OR { 579}
(( segid "UBI " and resid 31 and name HG1 ))
(( segid "UBI " and resid 28 and name HB2 ))
ASSI { 586}
(( segid "UBI " and resid 70 and name HB ))
(( segid "UBI " and resid 70 and name HA ))
2.600 0.800 0.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.51243E-02 ppm1 4.180 ppm2 1.866 CV 1
OR { 586}
(( segid "UBI " and resid 29 and name HB2 ))
(( segid "UBI " and resid 29 and name HA ))
ASSI { 599}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 29 and name HD2 ))
2.900 1.100 1.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.16447E-02 ppm1 1.423 ppm2 0.665 CV 1
OR { 599}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 29 and name HD2 ))
ASSI { 600}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 29 and name HD1 ))
2.700 0.900 0.900 peak 600 spectrum 1 weight 0.10000E+01 volume 0.42652E-02 ppm1 1.728 ppm2 0.675 CV 1
OR { 600}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 29 and name HD1 ))
ASSI { 604}
(( segid "UBI " and resid 38 and name HB1 ))
(( segid "UBI " and resid 27 and name HD1 ))
2.900 1.000 1.000 peak 604 spectrum 1 weight 0.10000E+01 volume 0.19914E-02 ppm1 1.708 ppm2 2.192 CV 1
OR { 604}
(( segid "UBI " and resid 1 and name HB1 ))
(( segid "UBI " and resid 63 and name HD1 ))
OR { 604}
(( segid "UBI " and resid 38 and name HB1 ))
(( segid "UBI " and resid 27 and name HD2 ))
OR { 604}
(( segid "UBI " and resid 1 and name HB1 ))
(( segid "UBI " and resid 63 and name HD2 ))
ASSI { 618}
(( segid "UBI " and resid 30 and name HG11))
(( segid "UBI " and resid 30 and name HA ))
2.800 1.000 1.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.31912E-02 ppm1 3.474 ppm2 1.953 CV 1
OR { 618}
(( segid "UBI " and resid 33 and name HB1 ))
(( segid "UBI " and resid 30 and name HA ))
ASSI { 631}
(( segid "UBI " and resid 36 and name HB ))
( segid "UBI " and resid 30 and name HG2%)
4.400 2.400 1.600 peak 631 spectrum 1 weight 0.10000E+01 volume 0.20191E-03 ppm1 0.662 ppm2 1.397 CV 1
OR { 631}
(( segid "UBI " and resid 13 and name HG11))
( segid "UBI " and resid 30 and name HG2%)
OR { 631}
(( segid "UBI " and resid 36 and name HG11))
( segid "UBI " and resid 30 and name HG2%)
OR { 631}
(( segid "UBI " and resid 15 and name HG ))
( segid "UBI " and resid 30 and name HG2%)
ASSI { 632}
(( segid "UBI " and resid 34 and name HG1 ))
( segid "UBI " and resid 30 and name HG2%)
3.600 1.600 1.600 peak 632 spectrum 1 weight 0.10000E+01 volume 0.67200E-03 ppm1 0.662 ppm2 2.114 CV 1
OR { 632}
(( segid "UBI " and resid 29 and name HB1 ))
( segid "UBI " and resid 30 and name HG2%)
ASSI { 634}
(( segid "UBI " and resid 34 and name HB2 ))
( segid "UBI " and resid 30 and name HG2%)
3.700 1.700 1.700 peak 634 spectrum 1 weight 0.10000E+01 volume 0.46334E-03 ppm1 0.667 ppm2 1.632 CV 1
OR { 634}
(( segid "UBI " and resid 41 and name HG2 ))
( segid "UBI " and resid 30 and name HG2%)
OR { 634}
(( segid "UBI " and resid 69 and name HB1 ))
( segid "UBI " and resid 30 and name HG2%)
ASSI { 664}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 33 and name HB1 ))
2.800 1.000 1.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.24057E-02 ppm1 1.989 ppm2 0.665 CV 1
OR { 664}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 33 and name HB1 ))
OR { 664}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 33 and name HB1 ))
ASSI { 683}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 34 and name HB1 ))
3.800 1.800 1.800 peak 683 spectrum 1 weight 0.10000E+01 volume 0.68121E-03 ppm1 2.231 ppm2 0.667 CV 1
OR { 683}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 34 and name HB1 ))
OR { 683}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 31 and name HG1 ))
OR { 683}
( segid "UBI " and resid 69 and name HD2%)
(( segid "UBI " and resid 34 and name HB1 ))
OR { 683}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 38 and name HB1 ))
ASSI { 684}
( segid "UBI " and resid 69 and name HD2%)
(( segid "UBI " and resid 41 and name HG2 ))
2.600 0.800 0.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.31912E-02 ppm1 1.638 ppm2 0.673 CV 1
OR { 684}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 34 and name HB2 ))
OR { 684}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 41 and name HG2 ))
ASSI { 685}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 41 and name HG2 ))
2.500 0.800 0.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.42038E-02 ppm1 1.632 ppm2 0.787 CV 1
OR { 685}
( segid "UBI " and resid 36 and name HD1%)
(( segid "UBI " and resid 34 and name HB2 ))
ASSI { 687}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 38 and name HB1 ))
2.900 1.000 1.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.25776E-02 ppm1 2.226 ppm2 1.394 CV 1
OR { 687}
(( segid "UBI " and resid 36 and name HG11))
(( segid "UBI " and resid 34 and name HB1 ))
ASSI { 689}
(( segid "UBI " and resid 38 and name HB2 ))
(( segid "UBI " and resid 38 and name HB1 ))
1.600 0.300 0.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.34367E-01 ppm1 2.227 ppm2 2.007 CV 1
OR { 689}
(( segid "UBI " and resid 27 and name HB1 ))
(( segid "UBI " and resid 38 and name HB1 ))
ASSI { 698}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 34 and name HG1 ))
3.000 1.100 1.100 peak 698 spectrum 1 weight 0.10000E+01 volume 0.17613E-02 ppm1 2.124 ppm2 0.676 CV 1
OR { 698}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 34 and name HG1 ))
ASSI { 699}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 34 and name HG2 ))
3.400 1.400 1.400 peak 699 spectrum 1 weight 0.10000E+01 volume 0.81927E-03 ppm1 2.037 ppm2 0.673 CV 1
OR { 699}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 34 and name HG2 ))
ASSI { 716}
(( segid "UBI " and resid 41 and name HA ))
(( segid "UBI " and resid 41 and name HB2 ))
2.900 1.000 1.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.18933E-02 ppm1 1.854 ppm2 4.114 CV 1
OR { 716}
(( segid "UBI " and resid 38 and name HA ))
(( segid "UBI " and resid 41 and name HB2 ))
ASSI { 720}
(( segid "UBI " and resid 41 and name HA ))
(( segid "UBI " and resid 41 and name HG1 ))
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OR { 720}
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ASSI { 724}
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OR { 724}
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ASSI { 728}
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OR { 728}
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ASSI { 736}
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OR { 736}
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ASSI { 754}
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OR { 754}
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ASSI { 756}
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OR { 756}
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ASSI { 757}
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ASSI { 763}
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2.800 1.000 1.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.28874E-02 ppm1 0.762 ppm2 1.633 CV 1
OR { 763}
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ASSI { 767}
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OR { 767}
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ASSI { 768}
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OR { 768}
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ASSI { 770}
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3.100 1.200 1.200 peak 770 spectrum 1 weight 0.10000E+01 volume 0.22553E-02 ppm1 0.831 ppm2 1.398 CV 1
OR { 770}
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ASSI { 771}
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4.000 4.000 2.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.29673E-03 ppm1 0.831 ppm2 0.022 CV 1
OR { 771}
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ASSI { 791}
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3.300 1.400 1.400 peak 791 spectrum 1 weight 0.10000E+01 volume 0.11507E-02 ppm1 1.839 ppm2 4.583 CV 1
OR { 791}
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ASSI { 820}
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OR { 820}
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OR { 820}
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ASSI { 839}
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OR { 839}
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ASSI { 841}
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2.800 1.000 1.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.22001E-02 ppm1 1.945 ppm2 4.119 CV 1
OR { 841}
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ASSI { 854}
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3.000 1.200 1.200 peak 854 spectrum 1 weight 0.10000E+01 volume 0.16969E-02 ppm1 1.938 ppm2 2.631 CV 1
OR { 854}
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ASSI { 863}
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2.500 0.800 0.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.47868E-02 ppm1 2.321 ppm2 1.949 CV 1
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ASSI { 865}
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4.000 2.000 2.000 peak 865 spectrum 1 weight 0.10000E+01 volume 0.54619E-03 ppm1 2.308 ppm2 0.930 CV 1
OR { 865}
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ASSI { 876}
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2.600 0.900 0.900 peak 876 spectrum 1 weight 0.10000E+01 volume 0.32833E-02 ppm1 2.189 ppm2 4.416 CV 1
OR { 876}
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ASSI { 880}
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3.100 1.200 1.200 peak 880 spectrum 1 weight 0.10000E+01 volume 0.15036E-02 ppm1 2.221 ppm2 1.584 CV 1
OR { 880}
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ASSI { 890}
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1.600 0.300 0.600 peak 890 spectrum 1 weight 0.10000E+01 volume 0.40504E-01 ppm1 1.584 ppm2 1.811 CV 1
OR { 890}
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ASSI { 892}
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3.200 1.300 1.300 peak 892 spectrum 1 weight 0.10000E+01 volume 0.98807E-03 ppm1 1.620 ppm2 3.142 CV 1
OR { 892}
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OR { 892}
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OR { 892}
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ASSI { 899}
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4.100 2.100 1.900 peak 899 spectrum 1 weight 0.10000E+01 volume 0.52471E-03 ppm1 5.177 ppm2 1.222 CV 1
OR { 899}
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ASSI { 906}
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2.600 0.900 0.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.35594E-02 ppm1 1.116 ppm2 4.928 CV 1
OR { 906}
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ASSI { 907}
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2.800 1.000 1.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.28292E-02 ppm1 1.117 ppm2 4.668 CV 1
OR { 907}
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ASSI { 914}
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2.400 0.700 0.700 peak 914 spectrum 1 weight 0.10000E+01 volume 0.59222E-02 ppm1 4.017 ppm2 0.570 CV 1
OR { 914}
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ASSI { 923}
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2.300 0.700 0.700 peak 923 spectrum 1 weight 0.10000E+01 volume 0.71189E-02 ppm1 0.734 ppm2 1.556 CV 1
OR { 923}
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ASSI { 924}
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2.200 0.600 0.600 peak 924 spectrum 1 weight 0.10000E+01 volume 0.82851E-02 ppm1 0.701 ppm2 1.601 CV 1
OR { 924}
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ASSI { 926}
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2.700 0.900 0.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.34367E-02 ppm1 0.722 ppm2 2.310 CV 1
OR { 926}
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ASSI { 927}
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3.700 1.700 1.700 peak 927 spectrum 1 weight 0.10000E+01 volume 0.10525E-02 ppm1 0.718 ppm2 2.498 CV 1
OR { 927}
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ASSI { 932}
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4.100 2.100 1.900 peak 932 spectrum 1 weight 0.10000E+01 volume 0.40197E-03 ppm1 0.704 ppm2 4.657 CV 1
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ASSI { 934}
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2.500 0.800 0.800 peak 934 spectrum 1 weight 0.10000E+01 volume 0.55540E-02 ppm1 0.718 ppm2 0.412 CV 1
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ASSI { 937}
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3.900 1.900 1.900 peak 937 spectrum 1 weight 0.10000E+01 volume 0.40197E-03 ppm1 0.582 ppm2 2.303 CV 1
OR { 937}
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ASSI { 989}
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3.200 1.300 1.300 peak 989 spectrum 1 weight 0.10000E+01 volume 0.14882E-02 ppm1 1.353 ppm2 0.573 CV 1
OR { 989}
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ASSI { 998}
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3.600 1.600 1.600 peak 998 spectrum 1 weight 0.10000E+01 volume 0.69041E-03 ppm1 0.358 ppm2 1.689 CV 1
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ASSI { 1010}
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4.000 2.000 2.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.42345E-03 ppm1 2.006 ppm2 3.933 CV 1
OR { 1010}
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ASSI { 1016}
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OR { 1016}
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ASSI { 1018}
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1.900 0.400 0.400 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.23934E-01 ppm1 1.394 ppm2 0.667 CV 1
OR { 1018}
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ASSI { 1020}
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3.800 1.800 1.800 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.46334E-03 ppm1 5.237 ppm2 2.202 CV 1
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ASSI { 1042}
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2.700 0.900 0.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.38970E-02 ppm1 0.728 ppm2 1.867 CV 1
OR { 1042}
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ASSI { 1043}
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2.700 0.900 0.900 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.38663E-02 ppm1 3.923 ppm2 2.017 CV 1
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ASSI { 1048}
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3.800 1.900 1.900 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.45720E-03 ppm1 3.868 ppm2 2.148 CV 1
OR { 1048}
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OR { 1048}
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ASSI { 1049}
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3.500 1.500 1.500 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.94201E-03 ppm1 3.866 ppm2 2.008 CV 1
OR { 1049}
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OR { 1049}
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ASSI { 1064}
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3.500 1.600 1.600 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.87449E-03 ppm1 0.842 ppm2 1.585 CV 1
OR { 1064}
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OR { 1064}
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ASSI { 1065}
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1.800 0.400 0.400 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.27708E-01 ppm1 0.840 ppm2 0.665 CV 1
OR { 1065}
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OR { 1065}
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( segid "UBI " and resid 30 and name HD1%)
ASSI { 1070}
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3.700 1.700 1.700 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.47868E-03 ppm1 1.414 ppm2 1.625 CV 1
OR { 1070}
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ASSI { 1074}
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3.200 1.300 1.300 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.96966E-03 ppm1 1.412 ppm2 0.664 CV 1
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ASSI { 1079}
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ASSI { 1083}
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OR { 1083}
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ASSI { 1089}
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2.200 0.600 0.600 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.77015E-02 ppm1 1.960 ppm2 0.825 CV 1
OR { 1089}
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ASSI { 1095}
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3.600 1.600 1.600 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.11721E-02 ppm1 3.547 ppm2 2.375 CV 1
OR { 1095}
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ASSI { 1112}
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2.600 0.900 0.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.40197E-02 ppm1 4.084 ppm2 2.005 CV 1
OR { 1112}
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ASSI { 1113}
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3.100 1.200 1.200 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.34674E-02 ppm1 4.084 ppm2 1.609 CV 1
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ASSI { 1122}
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2.800 1.000 1.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.27493E-02 ppm1 1.999 ppm2 1.700 CV 1
OR { 1122}
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(( segid "UBI " and resid 38 and name HB2 ))
ASSI { 1129}
(( segid "UBI " and resid 37 and name HB2 ))
(( segid "UBI " and resid 38 and name HD2 ))
2.500 0.800 0.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.67814E-02 ppm1 3.718 ppm2 1.947 CV 1
OR { 1129}
(( segid "UBI " and resid 37 and name HB2 ))
(( segid "UBI " and resid 38 and name HD1 ))
OR { 1129}
(( segid "UBI " and resid 31 and name HB2 ))
(( segid "UBI " and resid 38 and name HD1 ))
ASSI { 1132}
(( segid "UBI " and resid 28 and name HA ))
(( segid "UBI " and resid 38 and name HD1 ))
3.800 1.800 1.800 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.81621E-03 ppm1 3.720 ppm2 4.163 CV 1
OR { 1132}
(( segid "UBI " and resid 37 and name HD1 ))
(( segid "UBI " and resid 38 and name HD1 ))
OR { 1132}
(( segid "UBI " and resid 37 and name HD1 ))
(( segid "UBI " and resid 38 and name HD2 ))
OR { 1132}
(( segid "UBI " and resid 28 and name HA ))
(( segid "UBI " and resid 38 and name HD2 ))
ASSI { 1146}
( segid "UBI " and resid 44 and name HD1%)
(( segid "UBI " and resid 49 and name HA ))
3.400 1.400 1.400 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.71802E-03 ppm1 4.604 ppm2 0.755 CV 1
OR { 1146}
( segid "UBI " and resid 43 and name HD1%)
(( segid "UBI " and resid 49 and name HA ))
OR { 1146}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 49 and name HA ))
ASSI { 1185}
(( segid "UBI " and resid 63 and name HB1 ))
(( segid "UBI " and resid 63 and name HA ))
2.300 0.700 0.700 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.68121E-02 ppm1 3.942 ppm2 1.994 CV 1
OR { 1185}
(( segid "UBI " and resid 1 and name HB2 ))
(( segid "UBI " and resid 63 and name HA ))
ASSI { 1187}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 63 and name HA ))
4.100 2.100 1.900 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.37129E-03 ppm1 3.938 ppm2 1.683 CV 1
OR { 1187}
(( segid "UBI " and resid 63 and name HD1 ))
(( segid "UBI " and resid 63 and name HA ))
OR { 1187}
(( segid "UBI " and resid 63 and name HD2 ))
(( segid "UBI " and resid 63 and name HA ))
ASSI { 1192}
(( segid "UBI " and resid 1 and name HG1 ))
(( segid "UBI " and resid 63 and name HB1 ))
3.200 1.300 1.300 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.14146E-02 ppm1 2.007 ppm2 2.444 CV 1
OR { 1192}
(( segid "UBI " and resid 64 and name HB1 ))
(( segid "UBI " and resid 63 and name HB1 ))
ASSI { 1194}
(( segid "UBI " and resid 29 and name HD2 ))
(( segid "UBI " and resid 29 and name HD1 ))
1.600 0.300 0.600 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.38663E-01 ppm1 1.712 ppm2 1.451 CV 1
OR { 1194}
(( segid "UBI " and resid 63 and name HG2 ))
(( segid "UBI " and resid 63 and name HD2 ))
OR { 1194}
(( segid "UBI " and resid 63 and name HG1 ))
(( segid "UBI " and resid 63 and name HD1 ))
OR { 1194}
(( segid "UBI " and resid 63 and name HG2 ))
(( segid "UBI " and resid 63 and name HD1 ))
OR { 1194}
(( segid "UBI " and resid 63 and name HG1 ))
(( segid "UBI " and resid 63 and name HD2 ))
ASSI { 1196}
( segid "UBI " and resid 50 and name HD1%)
(( segid "UBI " and resid 67 and name HG ))
3.700 1.700 1.700 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.65666E-03 ppm1 1.716 ppm2 0.526 CV 1
OR { 1196}
( segid "UBI " and resid 3 and name HD1%)
(( segid "UBI " and resid 67 and name HG ))
ASSI { 1202}
(( segid "UBI " and resid 64 and name HG2 ))
(( segid "UBI " and resid 63 and name HG1 ))
3.000 1.100 1.100 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.20221E-02 ppm1 1.461 ppm2 2.197 CV 1
OR { 1202}
(( segid "UBI " and resid 64 and name HG1 ))
(( segid "UBI " and resid 63 and name HG1 ))
OR { 1202}
(( segid "UBI " and resid 62 and name HB1 ))
(( segid "UBI " and resid 63 and name HG2 ))
OR { 1202}
(( segid "UBI " and resid 64 and name HG1 ))
(( segid "UBI " and resid 63 and name HG2 ))
OR { 1202}
(( segid "UBI " and resid 62 and name HB1 ))
(( segid "UBI " and resid 63 and name HG1 ))
ASSI { 1203}
(( segid "UBI " and resid 64 and name HB2 ))
(( segid "UBI " and resid 63 and name HG1 ))
4.000 2.000 2.000 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.31912E-03 ppm1 1.465 ppm2 2.347 CV 1
OR { 1203}
(( segid "UBI " and resid 62 and name HG1 ))
(( segid "UBI " and resid 63 and name HG1 ))
OR { 1203}
(( segid "UBI " and resid 62 and name HG1 ))
(( segid "UBI " and resid 63 and name HG2 ))
ASSI { 1204}
(( segid "UBI " and resid 52 and name HB2 ))
(( segid "UBI " and resid 27 and name HD2 ))
3.100 1.200 1.200 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.15343E-02 ppm1 1.718 ppm2 2.459 CV 1
OR { 1204}
(( segid "UBI " and resid 1 and name HG1 ))
(( segid "UBI " and resid 63 and name HD1 ))
OR { 1204}
(( segid "UBI " and resid 1 and name HG1 ))
(( segid "UBI " and resid 63 and name HD2 ))
ASSI { 1249}
(( segid "UBI " and resid 67 and name HA ))
( segid "UBI " and resid 66 and name HG2%)
4.100 2.100 1.900 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.26481E-03 ppm1 0.817 ppm2 4.982 CV 1
OR { 1249}
(( segid "UBI " and resid 68 and name HA ))
( segid "UBI " and resid 66 and name HG2%)
ASSI { 1258}
(( segid "UBI " and resid 45 and name HB1 ))
(( segid "UBI " and resid 67 and name HA ))
4.600 2.700 1.400 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.30685E-03 ppm1 4.977 ppm2 2.986 CV 1
OR { 1258}
(( segid "UBI " and resid 68 and name HB1 ))
(( segid "UBI " and resid 69 and name HA ))
OR { 1258}
(( segid "UBI " and resid 68 and name HB1 ))
(( segid "UBI " and resid 67 and name HA ))
ASSI { 1261}
( segid "UBI " and resid 67 and name HD1%)
(( segid "UBI " and resid 67 and name HA ))
2.900 1.100 1.100 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.24241E-02 ppm1 4.978 ppm2 0.614 CV 1
OR { 1261}
( segid "UBI " and resid 67 and name HD2%)
(( segid "UBI " and resid 67 and name HA ))
OR { 1261}
( segid "UBI " and resid 70 and name HG2%)
(( segid "UBI " and resid 69 and name HA ))
ASSI { 1295}
( segid "UBI " and resid 70 and name HG2%)
(( segid "UBI " and resid 69 and name HA ))
3.500 1.500 1.500 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.10556E-02 ppm1 5.034 ppm2 0.641 CV 1
OR { 1295}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 69 and name HA ))
OR { 1295}
( segid "UBI " and resid 70 and name HG1%)
(( segid "UBI " and resid 69 and name HA ))
ASSI { 1303}
(( segid "UBI " and resid 8 and name HG ))
(( segid "UBI " and resid 70 and name HA ))
3.500 1.500 1.500 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.95736E-03 ppm1 4.236 ppm2 1.664 CV 1
OR { 1303}
(( segid "UBI " and resid 71 and name HG ))
(( segid "UBI " and resid 70 and name HA ))
OR { 1303}
(( segid "UBI " and resid 71 and name HB1 ))
(( segid "UBI " and resid 70 and name HA ))
ASSI { 1305}
( segid "UBI " and resid 71 and name HD2%)
(( segid "UBI " and resid 70 and name HA ))
3.600 1.600 1.600 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.56460E-03 ppm1 4.236 ppm2 0.811 CV 1
OR { 1305}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 70 and name HA ))
ASSI { 1312}
(( segid "UBI " and resid 42 and name HG2 ))
( segid "UBI " and resid 70 and name HG2%)
4.200 2.200 1.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.25346E-03 ppm1 0.612 ppm2 1.516 CV 1
OR { 1312}
(( segid "UBI " and resid 71 and name HB2 ))
( segid "UBI " and resid 70 and name HG2%)
ASSI { 1316}
(( segid "UBI " and resid 71 and name HB2 ))
(( segid "UBI " and resid 71 and name HA ))
2.700 0.900 0.900 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.48482E-02 ppm1 4.942 ppm2 1.508 CV 1
OR { 1316}
(( segid "UBI " and resid 72 and name HB2 ))
(( segid "UBI " and resid 71 and name HA ))
ASSI { 1318}
( segid "UBI " and resid 71 and name HD2%)
(( segid "UBI " and resid 71 and name HA ))
2.700 0.900 0.900 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.34367E-02 ppm1 4.940 ppm2 0.822 CV 1
OR { 1318}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 67 and name HA ))
ASSI { 1324}
(( segid "UBI " and resid 43 and name HA ))
( segid "UBI " and resid 43 and name HD1%)
2.700 0.900 0.900 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.42959E-02 ppm1 0.766 ppm2 5.346 CV 1
OR { 1324}
(( segid "UBI " and resid 43 and name HA ))
( segid "UBI " and resid 69 and name HD1%)
ASSI { 1328}
(( segid "UBI " and resid 40 and name HB1 ))
( segid "UBI " and resid 71 and name HD2%)
3.300 1.400 1.400 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.12888E-02 ppm1 0.829 ppm2 2.428 CV 1
OR { 1328}
(( segid "UBI " and resid 40 and name HB1 ))
( segid "UBI " and resid 69 and name HD1%)
ASSI { 1330}
(( segid "UBI " and resid 71 and name HG ))
( segid "UBI " and resid 71 and name HD2%)
2.100 0.600 0.600 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.11906E-01 ppm1 0.813 ppm2 1.631 CV 1
OR { 1330}
(( segid "UBI " and resid 41 and name HG2 ))
( segid "UBI " and resid 69 and name HD1%)
OR { 1330}
(( segid "UBI " and resid 71 and name HB1 ))
( segid "UBI " and resid 71 and name HD2%)
ASSI { 1333}
( segid "UBI " and resid 9 and name HG2%)
(( segid "UBI " and resid 8 and name HG ))
2.800 2.800 3.200 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.18472E-02 ppm1 1.666 ppm2 1.247 CV 1
OR { 1333}
( segid "UBI " and resid 9 and name HG2%)
(( segid "UBI " and resid 71 and name HG ))
ASSI { 1353}
(( segid "UBI " and resid 73 and name HG ))
( segid "UBI " and resid 8 and name HD1%)
2.800 2.800 3.200 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.18564E-02 ppm1 0.891 ppm2 1.455 CV 1
OR { 1353}
(( segid "UBI " and resid 73 and name HB1 ))
( segid "UBI " and resid 8 and name HD1%)
OR { 1353}
(( segid "UBI " and resid 73 and name HG ))
( segid "UBI " and resid 8 and name HD2%)
OR { 1353}
(( segid "UBI " and resid 44 and name HG11))
( segid "UBI " and resid 8 and name HD1%)
OR { 1353}
(( segid "UBI " and resid 43 and name HG ))
( segid "UBI " and resid 8 and name HD1%)
ASSI { 1363}
(( segid "UBI " and resid 42 and name HG1 ))
(( segid "UBI " and resid 42 and name HB2 ))
1.900 0.400 0.400 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.27555E-01 ppm1 1.762 ppm2 1.609 CV 1
OR { 1363}
(( segid "UBI " and resid 74 and name HG1 ))
(( segid "UBI " and resid 74 and name HB2 ))
OR { 1363}
(( segid "UBI " and resid 74 and name HG2 ))
(( segid "UBI " and resid 74 and name HB2 ))
OR { 1363}
(( segid "UBI " and resid 42 and name HG1 ))
(( segid "UBI " and resid 42 and name HB1 ))
ASSI { 1364}
(( segid "UBI " and resid 41 and name HG2 ))
(( segid "UBI " and resid 41 and name HB2 ))
1.900 0.500 0.500 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.27064E-01 ppm1 1.836 ppm2 1.584 CV 1
OR { 1364}
(( segid "UBI " and resid 74 and name HG2 ))
(( segid "UBI " and resid 74 and name HB1 ))
OR { 1364}
(( segid "UBI " and resid 74 and name HG1 ))
(( segid "UBI " and resid 74 and name HB1 ))
ASSI { 1371}
(( segid "UBI " and resid 1 and name HB1 ))
(( segid "UBI " and resid 1 and name HB2 ))
1.600 0.300 0.600 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.46027E-01 ppm1 2.011 ppm2 2.144 CV 1
OR { 1371}
(( segid "UBI " and resid 38 and name HG1 ))
(( segid "UBI " and resid 38 and name HB2 ))
ASSI { 1392}
(( segid "UBI " and resid 50 and name HB1 ))
( segid "UBI " and resid 23 and name HG2%)
2.900 1.000 1.000 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.19424E-02 ppm1 0.740 ppm2 1.455 CV 1
OR { 1392}
(( segid "UBI " and resid 27 and name HB2 ))
( segid "UBI " and resid 23 and name HG2%)
ASSI { 1432}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 6 and name HA ))
3.800 1.800 1.800 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.56767E-03 ppm1 5.202 ppm2 1.021 CV 1
OR { 1432}
(( segid "UBI " and resid 3 and name HG11))
(( segid "UBI " and resid 2 and name HA ))
ASSI { 1445}
( segid "UBI " and resid 44 and name HG2%)
(( segid "UBI " and resid 47 and name HA1 ))
4.000 2.000 2.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.67507E-03 ppm1 4.045 ppm2 0.838 CV 1
OR { 1445}
( segid "UBI " and resid 46 and name HB% )
(( segid "UBI " and resid 47 and name HA1 ))
ASSI { 1447}
(( segid "UBI " and resid 54 and name HA ))
(( segid "UBI " and resid 52 and name HA ))
4.000 2.000 2.000 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.45413E-03 ppm1 4.276 ppm2 4.648 CV 1
OR { 1447}
(( segid "UBI " and resid 7 and name HB ))
(( segid "UBI " and resid 11 and name HA ))
ASSI { 1450}
(( segid "UBI " and resid 6 and name HB2 ))
(( segid "UBI " and resid 12 and name HA ))
3.800 1.800 1.800 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.53698E-03 ppm1 4.990 ppm2 1.402 CV 1
OR { 1450}
(( segid "UBI " and resid 6 and name HG1 ))
(( segid "UBI " and resid 12 and name HA ))
OR { 1450}
(( segid "UBI " and resid 13 and name HG11))
(( segid "UBI " and resid 12 and name HA ))
ASSI { 1486}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 29 and name HA ))
3.900 1.900 1.900 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.65052E-03 ppm1 4.181 ppm2 0.704 CV 1
OR { 1486}
( segid "UBI " and resid 15 and name HD1%)
(( segid "UBI " and resid 29 and name HA ))
OR { 1486}
(( segid "UBI " and resid 30 and name HG12))
(( segid "UBI " and resid 29 and name HA ))
ASSI { 1501}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 26 and name HB ))
3.400 1.500 1.500 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.10341E-02 ppm1 2.321 ppm2 0.562 CV 1
OR { 1501}
( segid "UBI " and resid 3 and name HD1%)
(( segid "UBI " and resid 26 and name HB ))
ASSI { 1510}
(( segid "UBI " and resid 68 and name HA ))
(( segid "UBI " and resid 6 and name HB1 ))
3.900 1.900 1.900 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.33447E-03 ppm1 1.699 ppm2 4.992 CV 1
OR { 1510}
(( segid "UBI " and resid 12 and name HA ))
(( segid "UBI " and resid 6 and name HB1 ))
ASSI { 1511}
(( segid "UBI " and resid 12 and name HA ))
(( segid "UBI " and resid 6 and name HB2 ))
3.900 1.900 1.900 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.47868E-03 ppm1 1.383 ppm2 4.999 CV 1
OR { 1511}
(( segid "UBI " and resid 68 and name HA ))
(( segid "UBI " and resid 6 and name HB2 ))
ASSI { 1532}
(( segid "UBI " and resid 45 and name HB2 ))
(( segid "UBI " and resid 48 and name HB1 ))
4.400 2.500 1.600 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.37129E-03 ppm1 1.881 ppm2 2.776 CV 1
OR { 1532}
(( segid "UBI " and resid 45 and name HB2 ))
(( segid "UBI " and resid 48 and name HB2 ))
OR { 1532}
(( segid "UBI " and resid 32 and name HB1 ))
(( segid "UBI " and resid 31 and name HG2 ))
ASSI { 1534}
(( segid "UBI " and resid 14 and name HA ))
( segid "UBI " and resid 5 and name HG2%)
4.000 2.000 2.000 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.45107E-03 ppm1 0.690 ppm2 4.887 CV 1
OR { 1534}
(( segid "UBI " and resid 7 and name HA ))
( segid "UBI " and resid 5 and name HG2%)
OR { 1534}
(( segid "UBI " and resid 16 and name HA ))
( segid "UBI " and resid 26 and name HG2%)
ASSI { 1542}
(( segid "UBI " and resid 6 and name HB1 ))
(( segid "UBI " and resid 6 and name HE1 ))
3.200 1.300 1.300 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.17214E-02 ppm1 2.878 ppm2 1.692 CV 1
OR { 1542}
(( segid "UBI " and resid 11 and name HB2 ))
(( segid "UBI " and resid 11 and name HE2 ))
OR { 1542}
(( segid "UBI " and resid 6 and name HB1 ))
(( segid "UBI " and resid 6 and name HE2 ))
OR { 1542}
(( segid "UBI " and resid 11 and name HB2 ))
(( segid "UBI " and resid 11 and name HE1 ))
ASSI { 1543}
(( segid "UBI " and resid 63 and name HD2 ))
(( segid "UBI " and resid 63 and name HE1 ))
2.800 1.000 1.000 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.22216E-02 ppm1 2.988 ppm2 1.707 CV 1
OR { 1543}
(( segid "UBI " and resid 63 and name HD1 ))
(( segid "UBI " and resid 63 and name HE1 ))
OR { 1543}
(( segid "UBI " and resid 63 and name HD2 ))
(( segid "UBI " and resid 63 and name HE2 ))
OR { 1543}
(( segid "UBI " and resid 63 and name HD1 ))
(( segid "UBI " and resid 63 and name HE2 ))
OR { 1543}
(( segid "UBI " and resid 29 and name HD1 ))
(( segid "UBI " and resid 29 and name HE2 ))
ASSI { 1544}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 11 and name HE1 ))
3.900 1.900 1.900 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.24149E-03 ppm1 2.879 ppm2 0.677 CV 1
OR { 1544}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 11 and name HE2 ))
OR { 1544}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 6 and name HE1 ))
OR { 1544}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 6 and name HE2 ))
OR { 1544}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 11 and name HE2 ))
OR { 1544}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 6 and name HE1 ))
ASSI { 1548}
(( segid "UBI " and resid 11 and name HE1 ))
( segid "UBI " and resid 7 and name HG2%)
3.900 1.900 1.900 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.27678E-03 ppm1 1.121 ppm2 2.868 CV 1
OR { 1548}
(( segid "UBI " and resid 11 and name HE2 ))
( segid "UBI " and resid 7 and name HG2%)
OR { 1548}
(( segid "UBI " and resid 6 and name HE1 ))
( segid "UBI " and resid 7 and name HG2%)
OR { 1548}
(( segid "UBI " and resid 68 and name HB2 ))
( segid "UBI " and resid 7 and name HG2%)
ASSI { 1596}
(( segid "UBI " and resid 27 and name HA ))
( segid "UBI " and resid 26 and name HG2%)
4.400 2.400 1.600 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.33140E-03 ppm1 0.663 ppm2 4.557 CV 1
OR { 1596}
(( segid "UBI " and resid 27 and name HA ))
( segid "UBI " and resid 17 and name HG1%)
ASSI { 1600}
(( segid "UBI " and resid 38 and name HA ))
(( segid "UBI " and resid 27 and name HB2 ))
4.100 2.100 1.900 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.73644E-03 ppm1 1.419 ppm2 4.083 CV 1
OR { 1600}
(( segid "UBI " and resid 28 and name HB1 ))
(( segid "UBI " and resid 27 and name HB2 ))
ASSI { 1601}
( segid "UBI " and resid 56 and name HD1%)
(( segid "UBI " and resid 56 and name HG ))
3.400 1.400 1.400 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.65666E-03 ppm1 1.684 ppm2 0.726 CV 1
OR { 1601}
( segid "UBI " and resid 15 and name HD1%)
(( segid "UBI " and resid 29 and name HD1 ))
ASSI { 1612}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 27 and name HG1 ))
3.500 1.500 1.500 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.58608E-03 ppm1 1.558 ppm2 0.739 CV 1
OR { 1612}
( segid "UBI " and resid 43 and name HD1%)
(( segid "UBI " and resid 27 and name HG1 ))
OR { 1612}
( segid "UBI " and resid 15 and name HD1%)
(( segid "UBI " and resid 29 and name HG2 ))
ASSI { 1615}
(( segid "UBI " and resid 27 and name HG2 ))
( segid "UBI " and resid 30 and name HD1%)
3.600 1.600 1.600 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.57688E-03 ppm1 0.844 ppm2 1.375 CV 1
OR { 1615}
(( segid "UBI " and resid 15 and name HG ))
( segid "UBI " and resid 30 and name HD1%)
ASSI { 1621}
(( segid "UBI " and resid 38 and name HG2 ))
(( segid "UBI " and resid 31 and name HB1 ))
4.200 2.300 1.800 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.52165E-03 ppm1 2.492 ppm2 1.594 CV 1
OR { 1621}
(( segid "UBI " and resid 41 and name HG2 ))
(( segid "UBI " and resid 31 and name HB1 ))
ASSI { 1622}
(( segid "UBI " and resid 13 and name HG11))
(( segid "UBI " and resid 5 and name HB ))
3.100 1.200 1.200 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.19208E-02 ppm1 1.892 ppm2 1.404 CV 1
OR { 1622}
(( segid "UBI " and resid 36 and name HB ))
(( segid "UBI " and resid 31 and name HG2 ))
OR { 1622}
(( segid "UBI " and resid 15 and name HG ))
(( segid "UBI " and resid 5 and name HB ))
OR { 1622}
(( segid "UBI " and resid 6 and name HB2 ))
(( segid "UBI " and resid 5 and name HB ))
ASSI { 1627}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 33 and name HE2 ))
3.800 1.800 1.800 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.46027E-03 ppm1 3.065 ppm2 0.714 CV 1
OR { 1627}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 33 and name HE2 ))
ASSI { 1636}
(( segid "UBI " and resid 3 and name HG12))
(( segid "UBI " and resid 2 and name HB1 ))
4.000 2.000 2.000 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.42959E-03 ppm1 1.799 ppm2 0.823 CV 1
OR { 1636}
( segid "UBI " and resid 71 and name HD2%)
(( segid "UBI " and resid 40 and name HB2 ))
OR { 1636}
(( segid "UBI " and resid 3 and name HG12))
(( segid "UBI " and resid 16 and name HB2 ))
ASSI { 1639}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 40 and name HG2 ))
3.600 1.600 1.600 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.69348E-03 ppm1 2.370 ppm2 0.908 CV 1
OR { 1639}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 40 and name HG2 ))
OR { 1639}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 40 and name HG1 ))
ASSI { 1640}
(( segid "UBI " and resid 72 and name HB2 ))
(( segid "UBI " and resid 40 and name HG1 ))
4.200 2.200 1.800 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.45107E-03 ppm1 2.369 ppm2 1.518 CV 1
OR { 1640}
(( segid "UBI " and resid 72 and name HB2 ))
(( segid "UBI " and resid 40 and name HG2 ))
OR { 1640}
(( segid "UBI " and resid 71 and name HB2 ))
(( segid "UBI " and resid 40 and name HG2 ))
OR { 1640}
(( segid "UBI " and resid 71 and name HB2 ))
(( segid "UBI " and resid 40 and name HG1 ))
ASSI { 1644}
( segid "UBI " and resid 67 and name HD2%)
(( segid "UBI " and resid 43 and name HB2 ))
3.300 1.300 1.300 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.74564E-03 ppm1 1.135 ppm2 0.628 CV 1
OR { 1644}
( segid "UBI " and resid 67 and name HD1%)
(( segid "UBI " and resid 43 and name HB2 ))
OR { 1644}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 43 and name HB2 ))
ASSI { 1648}
(( segid "UBI " and resid 46 and name HN ))
( segid "UBI " and resid 46 and name HB% )
4.300 4.300 1.700 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.23566E-03 ppm1 0.855 ppm2 0.017 CV 1
OR { 1648}
(( segid "UBI " and resid 48 and name HN ))
( segid "UBI " and resid 46 and name HB% )
OR { 1648}
(( segid "UBI " and resid 47 and name HN ))
( segid "UBI " and resid 46 and name HB% )
ASSI { 1654}
(( segid "UBI " and resid 54 and name HB2 ))
(( segid "UBI " and resid 54 and name HD1 ))
4.000 2.000 2.000 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.50016E-03 ppm1 3.123 ppm2 2.091 CV 1
OR { 1654}
(( segid "UBI " and resid 29 and name HB1 ))
(( segid "UBI " and resid 29 and name HE1 ))
ASSI { 1659}
( segid "UBI " and resid 26 and name HG1%)
( segid "UBI " and resid 56 and name HD1%)
2.400 0.700 0.700 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.71802E-02 ppm1 0.716 ppm2 0.929 CV 1
OR { 1659}
( segid "UBI " and resid 36 and name HG2%)
( segid "UBI " and resid 69 and name HD2%)
OR { 1659}
( segid "UBI " and resid 26 and name HG1%)
( segid "UBI " and resid 43 and name HD2%)
ASSI { 1669}
( segid "UBI " and resid 67 and name HD2%)
( segid "UBI " and resid 61 and name HD1%)
2.200 0.600 0.600 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.11200E-01 ppm1 0.361 ppm2 0.571 CV 1
OR { 1669}
( segid "UBI " and resid 56 and name HD2%)
( segid "UBI " and resid 61 and name HD1%)
ASSI { 1674}
(( segid "UBI " and resid 73 and name HG ))
( segid "UBI " and resid 73 and name HD2%)
2.200 0.600 0.600 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.10279E-01 ppm1 0.759 ppm2 1.437 CV 1
OR { 1674}
(( segid "UBI " and resid 43 and name HG ))
( segid "UBI " and resid 43 and name HD1%)
OR { 1674}
(( segid "UBI " and resid 73 and name HB1 ))
( segid "UBI " and resid 73 and name HD2%)
ASSI { 1695}
( segid "UBI " and resid 7 and name HG2%)
( segid "UBI " and resid 69 and name HD2%)
2.400 0.700 0.700 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.67814E-02 ppm1 0.702 ppm2 1.112 CV 1
OR { 1695}
(( segid "UBI " and resid 43 and name HB2 ))
( segid "UBI " and resid 43 and name HD2%)
ASSI { 1706}
(( segid "UBI " and resid 34 and name HG1 ))
( segid "UBI " and resid 13 and name HG2%)
3.800 1.800 1.800 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.28108E-03 ppm1 0.833 ppm2 2.104 CV 1
OR { 1706}
(( segid "UBI " and resid 29 and name HB1 ))
( segid "UBI " and resid 13 and name HG2%)
ASSI { 1708}
(( segid "UBI " and resid 41 and name HB1 ))
(( segid "UBI " and resid 38 and name HA ))
3.600 1.600 1.600 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.11906E-02 ppm1 4.081 ppm2 1.914 CV 1
OR { 1708}
(( segid "UBI " and resid 31 and name HB2 ))
(( segid "UBI " and resid 38 and name HA ))
ASSI { 1711}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 33 and name HB2 ))
3.100 1.200 1.200 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.15741E-02 ppm1 1.793 ppm2 0.680 CV 1
OR { 1711}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 33 and name HB2 ))
OR { 1711}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 33 and name HB2 ))
ASSI { 20}
(( segid "SH3 " and resid 42 and name HE3 ))
( segid "SH3 " and resid 55 and name HD1%)
3.800 1.800 1.800 peak 20 spectrum 1 weight 0.10000E+01 volume 0.51017E-03 ppm1 7.016 ppm2 0.819 CV 1
OR { 20}
(( segid "SH3 " and resid 42 and name HE3 ))
( segid "SH3 " and resid 56 and name HG2%)
ASSI { 23}
( segid "SH3 " and resid 15 and name HD% )
(( segid "SH3 " and resid 57 and name HD2 ))
3.900 1.900 1.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.62967E-03 ppm1 7.451 ppm2 1.947 CV 1
OR { 23}
( segid "SH3 " and resid 15 and name HD% )
(( segid "SH3 " and resid 25 and name HG11))
ASSI { 24}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 6 and name HB2 ))
3.600 1.600 1.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.41962E-03 ppm1 6.923 ppm2 1.421 CV 1
OR { 24}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 30 and name HG2 ))
OR { 24}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 30 and name HG1 ))
ASSI { 30}
( segid "SH3 " and resid 32 and name HE% )
(( segid "SH3 " and resid 8 and name HG1 ))
3.400 1.400 1.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.13558E-02 ppm1 6.782 ppm2 1.785 CV 1
OR { 30}
( segid "SH3 " and resid 60 and name HD% )
(( segid "SH3 " and resid 59 and name HG2 ))
ASSI { 46}
(( segid "SH3 " and resid 43 and name HH2 ))
(( segid "SH3 " and resid 63 and name HG1 ))
3.700 1.700 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.59290E-03 ppm1 7.129 ppm2 2.264 CV 1
OR { 46}
(( segid "SH3 " and resid 43 and name HH2 ))
(( segid "SH3 " and resid 58 and name HA ))
OR { 46}
(( segid "SH3 " and resid 43 and name HH2 ))
(( segid "SH3 " and resid 61 and name HB ))
ASSI { 47}
(( segid "SH3 " and resid 43 and name HE3 ))
(( segid "SH3 " and resid 61 and name HB ))
2.800 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.21464E-02 ppm1 6.952 ppm2 2.264 CV 1
OR { 47}
(( segid "SH3 " and resid 43 and name HE3 ))
(( segid "SH3 " and resid 58 and name HA ))
ASSI { 49}
(( segid "SH3 " and resid 43 and name HZ3 ))
(( segid "SH3 " and resid 61 and name HB ))
2.700 0.900 0.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.32770E-02 ppm1 6.706 ppm2 2.275 CV 1
OR { 49}
(( segid "SH3 " and resid 43 and name HZ3 ))
(( segid "SH3 " and resid 63 and name HG1 ))
ASSI { 53}
( segid "SH3 " and resid 60 and name HD% )
(( segid "SH3 " and resid 59 and name HG1 ))
3.800 1.900 1.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.49178E-03 ppm1 6.782 ppm2 2.253 CV 1
OR { 53}
( segid "SH3 " and resid 60 and name HD% )
(( segid "SH3 " and resid 13 and name HB1 ))
ASSI { 55}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 32 and name HB1 ))
2.800 1.000 1.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.29921E-02 ppm1 6.927 ppm2 2.914 CV 1
OR { 55}
(( segid "SH3 " and resid 43 and name HE3 ))
(( segid "SH3 " and resid 43 and name HB1 ))
ASSI { 71}
(( segid "SH3 " and resid 43 and name HD1 ))
(( segid "SH3 " and resid 36 and name HA ))
2.900 1.000 1.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.20039E-02 ppm1 7.246 ppm2 4.021 CV 1
OR { 71}
(( segid "SH3 " and resid 43 and name HD1 ))
(( segid "SH3 " and resid 39 and name HB2 ))
ASSI { 2}
(( segid "SH3 " and resid 25 and name HN ))
(( segid "SH3 " and resid 17 and name HN ))
4.700 2.700 1.300 peak 2 spectrum 1 weight 0.10000E+01 volume 0.35248E-03 ppm1 8.047 ppm2 9.236 CV 1
ASSI { 3}
(( segid "SH3 " and resid 24 and name HA ))
(( segid "SH3 " and resid 17 and name HN ))
2.800 1.000 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.25661E-02 ppm1 8.045 ppm2 4.891 CV 1
ASSI { 4}
(( segid "SH3 " and resid 16 and name HA ))
(( segid "SH3 " and resid 17 and name HN ))
2.200 0.600 0.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.10458E-01 ppm1 8.045 ppm2 4.489 CV 1
ASSI { 5}
(( segid "SH3 " and resid 17 and name HA ))
(( segid "SH3 " and resid 17 and name HN ))
3.000 1.100 1.100 peak 5 spectrum 1 weight 0.10000E+01 volume 0.16559E-02 ppm1 8.044 ppm2 3.785 CV 1
ASSI { 6}
(( segid "SH3 " and resid 16 and name HG1 ))
(( segid "SH3 " and resid 17 and name HN ))
4.200 2.200 1.800 peak 6 spectrum 1 weight 0.10000E+01 volume 0.52968E-03 ppm1 8.046 ppm2 2.410 CV 1
OR { 6}
(( segid "SH3 " and resid 16 and name HG2 ))
(( segid "SH3 " and resid 17 and name HN ))
ASSI { 7}
( segid "SH3 " and resid 17 and name HB% )
(( segid "SH3 " and resid 17 and name HN ))
2.300 0.700 0.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.79788E-02 ppm1 8.044 ppm2 1.246 CV 1
ASSI { 8}
(( segid "SH3 " and resid 37 and name HN ))
(( segid "SH3 " and resid 36 and name HN ))
2.200 0.600 0.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.57423E-02 ppm1 8.075 ppm2 8.506 CV 1
ASSI { 9}
(( segid "SH3 " and resid 35 and name HN ))
(( segid "SH3 " and resid 36 and name HN ))
3.500 1.500 1.500 peak 9 spectrum 1 weight 0.10000E+01 volume 0.10071E-02 ppm1 8.071 ppm2 7.573 CV 1
ASSI { 10}
(( segid "SH3 " and resid 35 and name HA ))
(( segid "SH3 " and resid 36 and name HN ))
2.200 0.600 0.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.88022E-02 ppm1 8.075 ppm2 4.660 CV 1
ASSI { 12}
(( segid "SH3 " and resid 35 and name HB1 ))
(( segid "SH3 " and resid 36 and name HN ))
3.900 1.900 1.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.46771E-03 ppm1 8.078 ppm2 2.746 CV 1
ASSI { 13}
(( segid "SH3 " and resid 35 and name HB2 ))
(( segid "SH3 " and resid 36 and name HN ))
4.200 2.200 1.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.53258E-03 ppm1 8.073 ppm2 2.556 CV 1
ASSI { 15}
(( segid "SH3 " and resid 36 and name HB2 ))
(( segid "SH3 " and resid 36 and name HN ))
3.400 1.500 1.500 peak 15 spectrum 1 weight 0.10000E+01 volume 0.11233E-02 ppm1 8.075 ppm2 0.670 CV 1
ASSI { 16}
( segid "SH3 " and resid 33 and name HG2%)
(( segid "SH3 " and resid 36 and name HN ))
3.600 1.600 1.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.62555E-03 ppm1 8.073 ppm2 0.322 CV 1
ASSI { 18}
(( segid "SH3 " and resid 54 and name HN ))
(( segid "SH3 " and resid 45 and name HN ))
2.800 1.000 1.000 peak 18 spectrum 1 weight 0.10000E+01 volume 0.24887E-02 ppm1 9.177 ppm2 8.830 CV 1
ASSI { 19}
(( segid "SH3 " and resid 45 and name HA ))
(( segid "SH3 " and resid 45 and name HN ))
3.000 1.100 1.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.15687E-02 ppm1 9.177 ppm2 5.555 CV 1
ASSI { 20}
(( segid "SH3 " and resid 44 and name HA ))
(( segid "SH3 " and resid 45 and name HN ))
2.200 0.600 0.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.98769E-02 ppm1 9.176 ppm2 5.008 CV 1
ASSI { 22}
(( segid "SH3 " and resid 44 and name HB2 ))
(( segid "SH3 " and resid 45 and name HN ))
3.500 1.500 1.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.11911E-02 ppm1 9.176 ppm2 2.255 CV 1
ASSI { 23}
( segid "SH3 " and resid 44 and name HE% )
(( segid "SH3 " and resid 45 and name HN ))
3.800 1.800 1.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.10651E-02 ppm1 9.176 ppm2 2.084 CV 1
OR { 23}
(( segid "SH3 " and resid 44 and name HG2 ))
(( segid "SH3 " and resid 45 and name HN ))
ASSI { 25}
( segid "SH3 " and resid 56 and name HG1%)
(( segid "SH3 " and resid 45 and name HN ))
3.900 1.900 1.900 peak 25 spectrum 1 weight 0.10000E+01 volume 0.37571E-03 ppm1 9.178 ppm2 1.169 CV 1
ASSI { 29}
(( segid "SH3 " and resid 44 and name HA ))
(( segid "SH3 " and resid 54 and name HN ))
4.400 2.400 1.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.36022E-03 ppm1 8.823 ppm2 5.015 CV 1
ASSI { 31}
(( segid "SH3 " and resid 53 and name HN ))
(( segid "SH3 " and resid 54 and name HN ))
4.400 2.400 1.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.37281E-03 ppm1 8.821 ppm2 8.501 CV 1
ASSI { 32}
(( segid "SH3 " and resid 53 and name HA ))
(( segid "SH3 " and resid 54 and name HN ))
2.300 0.600 0.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.66621E-02 ppm1 8.823 ppm2 5.835 CV 1
ASSI { 33}
(( segid "SH3 " and resid 46 and name HA ))
(( segid "SH3 " and resid 54 and name HN ))
3.800 1.800 1.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.11233E-02 ppm1 8.823 ppm2 5.213 CV 1
ASSI { 34}
(( segid "SH3 " and resid 54 and name HA1 ))
(( segid "SH3 " and resid 54 and name HN ))
2.500 0.800 0.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.40477E-02 ppm1 8.822 ppm2 4.026 CV 1
ASSI { 35}
(( segid "SH3 " and resid 54 and name HA2 ))
(( segid "SH3 " and resid 54 and name HN ))
2.600 0.900 0.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.38734E-02 ppm1 8.822 ppm2 3.929 CV 1
ASSI { 36}
(( segid "SH3 " and resid 53 and name HB1 ))
(( segid "SH3 " and resid 54 and name HN ))
3.300 1.400 1.400 peak 36 spectrum 1 weight 0.10000E+01 volume 0.28469E-02 ppm1 8.822 ppm2 3.799 CV 1
ASSI { 37}
(( segid "SH3 " and resid 53 and name HB2 ))
(( segid "SH3 " and resid 54 and name HN ))
2.800 1.000 1.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.25467E-02 ppm1 8.821 ppm2 3.649 CV 1
ASSI { 39}
(( segid "SH3 " and resid 46 and name HB2 ))
(( segid "SH3 " and resid 54 and name HN ))
4.600 2.600 1.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.33020E-03 ppm1 8.823 ppm2 1.967 CV 1
OR { 39}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 54 and name HN ))
ASSI { 40}
( segid "SH3 " and resid 56 and name HG1%)
(( segid "SH3 " and resid 54 and name HN ))
3.900 1.900 1.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.22078E-03 ppm1 8.824 ppm2 1.159 CV 1
ASSI { 41}
( segid "SH3 " and resid 23 and name HD2%)
(( segid "SH3 " and resid 54 and name HN ))
2.600 0.800 0.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.40477E-02 ppm1 8.822 ppm2 0.589 CV 1
ASSI { 42}
(( segid "SH3 " and resid 44 and name HB2 ))
(( segid "SH3 " and resid 54 and name HN ))
4.600 2.600 1.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.24790E-03 ppm1 8.818 ppm2 2.249 CV 1
ASSI { 47}
(( segid "SH3 " and resid 31 and name HA ))
(( segid "SH3 " and resid 48 and name HN ))
2.700 0.900 0.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.30696E-02 ppm1 7.789 ppm2 5.300 CV 1
ASSI { 48}
(( segid "SH3 " and resid 47 and name HA ))
(( segid "SH3 " and resid 48 and name HN ))
2.100 0.600 0.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.87052E-02 ppm1 7.790 ppm2 4.389 CV 1
ASSI { 49}
(( segid "SH3 " and resid 48 and name HA ))
(( segid "SH3 " and resid 48 and name HN ))
2.900 1.000 1.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.22272E-02 ppm1 7.790 ppm2 3.378 CV 1
ASSI { 51}
(( segid "SH3 " and resid 47 and name HB1 ))
(( segid "SH3 " and resid 48 and name HN ))
3.100 1.200 1.200 peak 51 spectrum 1 weight 0.10000E+01 volume 0.18205E-02 ppm1 7.790 ppm2 1.834 CV 1
OR { 51}
(( segid "SH3 " and resid 47 and name HB2 ))
(( segid "SH3 " and resid 48 and name HN ))
ASSI { 52}
(( segid "SH3 " and resid 48 and name HB ))
(( segid "SH3 " and resid 48 and name HN ))
2.400 0.700 0.700 peak 52 spectrum 1 weight 0.10000E+01 volume 0.60037E-02 ppm1 7.790 ppm2 1.650 CV 1
ASSI { 53}
( segid "SH3 " and resid 47 and name HD2%)
(( segid "SH3 " and resid 48 and name HN ))
3.500 1.600 1.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.16462E-02 ppm1 7.791 ppm2 1.006 CV 1
ASSI { 54}
( segid "SH3 " and resid 48 and name HG1%)
(( segid "SH3 " and resid 48 and name HN ))
3.300 1.400 1.400 peak 54 spectrum 1 weight 0.10000E+01 volume 0.31762E-02 ppm1 7.789 ppm2 0.626 CV 1
ASSI { 55}
( segid "SH3 " and resid 48 and name HG2%)
(( segid "SH3 " and resid 48 and name HN ))
2.400 0.700 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.58390E-02 ppm1 7.789 ppm2 0.160 CV 1
ASSI { 59}
(( segid "SH3 " and resid 32 and name HA ))
(( segid "SH3 " and resid 33 and name HN ))
2.100 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.10651E-01 ppm1 8.860 ppm2 5.433 CV 1
ASSI { 60}
(( segid "SH3 " and resid 33 and name HA ))
(( segid "SH3 " and resid 33 and name HN ))
2.800 1.000 1.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.20722E-02 ppm1 8.858 ppm2 4.306 CV 1
ASSI { 61}
(( segid "SH3 " and resid 32 and name HB1 ))
(( segid "SH3 " and resid 33 and name HN ))
3.100 1.200 1.200 peak 61 spectrum 1 weight 0.10000E+01 volume 0.18786E-02 ppm1 8.857 ppm2 2.909 CV 1
ASSI { 62}
(( segid "SH3 " and resid 32 and name HB2 ))
(( segid "SH3 " and resid 33 and name HN ))
4.000 2.000 2.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.79887E-03 ppm1 8.860 ppm2 2.627 CV 1
ASSI { 63}
(( segid "SH3 " and resid 33 and name HB ))
(( segid "SH3 " and resid 33 and name HN ))
2.400 0.700 0.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.53646E-02 ppm1 8.858 ppm2 1.462 CV 1
ASSI { 64}
(( segid "SH3 " and resid 33 and name HG11))
(( segid "SH3 " and resid 33 and name HN ))
2.200 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.59940E-02 ppm1 8.860 ppm2 1.330 CV 1
ASSI { 65}
( segid "SH3 " and resid 33 and name HG2%)
(( segid "SH3 " and resid 33 and name HN ))
4.100 2.100 1.900 peak 65 spectrum 1 weight 0.10000E+01 volume 0.70301E-03 ppm1 8.860 ppm2 0.318 CV 1
ASSI { 66}
(( segid "SH3 " and resid 31 and name HN ))
(( segid "SH3 " and resid 9 and name HN ))
2.800 1.000 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.23434E-02 ppm1 8.873 ppm2 8.365 CV 1
ASSI { 68}
(( segid "SH3 " and resid 9 and name HA1 ))
(( segid "SH3 " and resid 9 and name HN ))
2.700 0.900 0.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.31180E-02 ppm1 8.874 ppm2 5.000 CV 1
ASSI { 69}
(( segid "SH3 " and resid 9 and name HA2 ))
(( segid "SH3 " and resid 9 and name HN ))
2.800 1.000 1.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.29534E-02 ppm1 8.873 ppm2 3.271 CV 1
ASSI { 70}
(( segid "SH3 " and resid 8 and name HB1 ))
(( segid "SH3 " and resid 9 and name HN ))
2.500 0.800 0.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.48708E-02 ppm1 8.873 ppm2 1.903 CV 1
ASSI { 74}
(( segid "SH3 " and resid 33 and name HG12))
(( segid "SH3 " and resid 33 and name HN ))
3.300 1.400 1.400 peak 74 spectrum 1 weight 0.10000E+01 volume 0.28179E-02 ppm1 8.866 ppm2 0.846 CV 1
ASSI { 75}
(( segid "SH3 " and resid 64 and name HN ))
(( segid "SH3 " and resid 8 and name HN ))
3.500 1.500 1.500 peak 75 spectrum 1 weight 0.10000E+01 volume 0.67784E-03 ppm1 8.704 ppm2 8.273 CV 1
ASSI { 76}
(( segid "SH3 " and resid 8 and name HA ))
(( segid "SH3 " and resid 8 and name HN ))
3.000 1.100 1.100 peak 76 spectrum 1 weight 0.10000E+01 volume 0.14525E-02 ppm1 8.707 ppm2 5.250 CV 1
ASSI { 77}
(( segid "SH3 " and resid 7 and name HA ))
(( segid "SH3 " and resid 8 and name HN ))
2.200 0.600 0.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.10845E-01 ppm1 8.706 ppm2 4.350 CV 1
ASSI { 80}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 8 and name HN ))
4.100 2.100 1.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.28276E-03 ppm1 8.703 ppm2 0.633 CV 1
ASSI { 81}
(( segid "SH3 " and resid 32 and name HA ))
(( segid "SH3 " and resid 8 and name HN ))
5.300 3.600 0.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.14137E-03 ppm1 8.704 ppm2 5.401 CV 1
ASSI { 83}
(( segid "SH3 " and resid 24 and name HN ))
(( segid "SH3 " and resid 23 and name HN ))
4.500 2.500 1.500 peak 83 spectrum 1 weight 0.10000E+01 volume 0.25758E-03 ppm1 8.096 ppm2 7.785 CV 1
ASSI { 84}
(( segid "SH3 " and resid 54 and name HA1 ))
(( segid "SH3 " and resid 23 and name HN ))
3.900 1.900 1.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.59359E-03 ppm1 8.097 ppm2 4.024 CV 1
ASSI { 85}
(( segid "SH3 " and resid 54 and name HA2 ))
(( segid "SH3 " and resid 23 and name HN ))
4.200 2.300 1.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.74949E-03 ppm1 8.093 ppm2 3.919 CV 1
ASSI { 86}
(( segid "SH3 " and resid 55 and name HN ))
(( segid "SH3 " and resid 23 and name HN ))
3.400 1.400 1.400 peak 86 spectrum 1 weight 0.10000E+01 volume 0.10942E-02 ppm1 8.092 ppm2 8.891 CV 1
ASSI { 88}
(( segid "SH3 " and resid 22 and name HA ))
(( segid "SH3 " and resid 23 and name HN ))
2.400 0.700 0.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.60521E-02 ppm1 8.092 ppm2 5.066 CV 1
ASSI { 89}
(( segid "SH3 " and resid 56 and name HA ))
(( segid "SH3 " and resid 23 and name HN ))
3.700 1.700 1.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.41251E-03 ppm1 8.088 ppm2 4.726 CV 1
ASSI { 90}
(( segid "SH3 " and resid 23 and name HA ))
(( segid "SH3 " and resid 23 and name HN ))
2.800 1.000 1.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.19754E-02 ppm1 8.092 ppm2 4.567 CV 1
ASSI { 91}
(( segid "SH3 " and resid 17 and name HA ))
(( segid "SH3 " and resid 23 and name HN ))
4.400 2.400 1.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.38830E-03 ppm1 8.088 ppm2 3.798 CV 1
ASSI { 92}
(( segid "SH3 " and resid 22 and name HB1 ))
(( segid "SH3 " and resid 23 and name HN ))
2.200 0.600 0.600 peak 92 spectrum 1 weight 0.10000E+01 volume 0.60037E-02 ppm1 8.091 ppm2 2.282 CV 1
ASSI { 93}
(( segid "SH3 " and resid 23 and name HB1 ))
(( segid "SH3 " and resid 23 and name HN ))
2.300 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.56260E-02 ppm1 8.092 ppm2 1.642 CV 1
ASSI { 94}
( segid "SH3 " and resid 56 and name HG1%)
(( segid "SH3 " and resid 23 and name HN ))
2.800 1.000 1.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.24402E-02 ppm1 8.093 ppm2 1.169 CV 1
ASSI { 95}
(( segid "SH3 " and resid 23 and name HB2 ))
(( segid "SH3 " and resid 23 and name HN ))
2.600 0.900 0.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.44253E-02 ppm1 8.093 ppm2 0.650 CV 1
ASSI { 96}
(( segid "SH3 " and resid 27 and name HN ))
(( segid "SH3 " and resid 26 and name HN ))
4.800 2.900 1.200 peak 96 spectrum 1 weight 0.10000E+01 volume 0.20045E-03 ppm1 9.027 ppm2 8.650 CV 1
ASSI { 97}
(( segid "SH3 " and resid 29 and name HN ))
(( segid "SH3 " and resid 26 and name HN ))
3.900 1.900 1.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.53937E-03 ppm1 9.024 ppm2 8.486 CV 1
ASSI { 99}
(( segid "SH3 " and resid 25 and name HA ))
(( segid "SH3 " and resid 26 and name HN ))
2.200 0.600 0.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.10651E-01 ppm1 9.026 ppm2 4.809 CV 1
ASSI { 100}
(( segid "SH3 " and resid 29 and name HB1 ))
(( segid "SH3 " and resid 26 and name HN ))
3.700 1.700 1.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.11911E-02 ppm1 9.027 ppm2 2.759 CV 1
ASSI { 101}
(( segid "SH3 " and resid 29 and name HB2 ))
(( segid "SH3 " and resid 26 and name HN ))
3.100 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.12201E-02 ppm1 9.028 ppm2 2.293 CV 1
ASSI { 102}
(( segid "SH3 " and resid 25 and name HB ))
(( segid "SH3 " and resid 26 and name HN ))
2.700 0.900 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.30309E-02 ppm1 9.027 ppm2 2.111 CV 1
ASSI { 103}
(( segid "SH3 " and resid 25 and name HG11))
(( segid "SH3 " and resid 26 and name HN ))
3.700 1.700 1.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.58003E-03 ppm1 9.030 ppm2 1.938 CV 1
ASSI { 104}
(( segid "SH3 " and resid 25 and name HG12))
(( segid "SH3 " and resid 26 and name HN ))
4.200 2.200 1.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.57519E-03 ppm1 9.026 ppm2 1.825 CV 1
ASSI { 105}
(( segid "SH3 " and resid 26 and name HB2 ))
(( segid "SH3 " and resid 26 and name HN ))
2.600 0.800 0.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.42316E-02 ppm1 9.026 ppm2 1.630 CV 1
OR { 105}
(( segid "SH3 " and resid 26 and name HB1 ))
(( segid "SH3 " and resid 26 and name HN ))
ASSI { 106}
(( segid "SH3 " and resid 26 and name HG2 ))
(( segid "SH3 " and resid 26 and name HN ))
3.100 1.200 1.200 peak 106 spectrum 1 weight 0.10000E+01 volume 0.17623E-02 ppm1 9.026 ppm2 1.325 CV 1
OR { 106}
(( segid "SH3 " and resid 26 and name HG1 ))
(( segid "SH3 " and resid 26 and name HN ))
ASSI { 111}
(( segid "SH3 " and resid 41 and name HN ))
(( segid "SH3 " and resid 40 and name HN ))
2.900 1.000 1.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.18399E-02 ppm1 8.471 ppm2 7.942 CV 1
ASSI { 112}
(( segid "SH3 " and resid 39 and name HA ))
(( segid "SH3 " and resid 40 and name HN ))
2.700 0.900 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.30503E-02 ppm1 8.470 ppm2 4.703 CV 1
ASSI { 113}
(( segid "SH3 " and resid 40 and name HA ))
(( segid "SH3 " and resid 40 and name HN ))
3.100 1.200 1.200 peak 113 spectrum 1 weight 0.10000E+01 volume 0.13557E-02 ppm1 8.471 ppm2 4.357 CV 1
ASSI { 114}
(( segid "SH3 " and resid 40 and name HB1 ))
(( segid "SH3 " and resid 40 and name HN ))
2.800 1.000 1.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.29922E-02 ppm1 8.471 ppm2 1.764 CV 1
OR { 114}
(( segid "SH3 " and resid 40 and name HB2 ))
(( segid "SH3 " and resid 40 and name HN ))
ASSI { 115}
(( segid "SH3 " and resid 40 and name HG1 ))
(( segid "SH3 " and resid 40 and name HN ))
3.300 1.400 1.400 peak 115 spectrum 1 weight 0.10000E+01 volume 0.10555E-02 ppm1 8.471 ppm2 1.440 CV 1
OR { 115}
(( segid "SH3 " and resid 40 and name HG2 ))
(( segid "SH3 " and resid 40 and name HN ))
ASSI { 116}
(( segid "SH3 " and resid 39 and name HB2 ))
(( segid "SH3 " and resid 40 and name HN ))
4.400 2.400 1.600 peak 116 spectrum 1 weight 0.10000E+01 volume 0.25274E-03 ppm1 8.464 ppm2 3.997 CV 1
ASSI { 118}
(( segid "SH3 " and resid 6 and name HA ))
(( segid "SH3 " and resid 7 and name HN ))
2.200 0.600 0.600 peak 118 spectrum 1 weight 0.10000E+01 volume 0.10555E-01 ppm1 8.316 ppm2 4.255 CV 1
ASSI { 119}
(( segid "SH3 " and resid 7 and name HB1 ))
(( segid "SH3 " and resid 7 and name HN ))
2.400 0.700 0.700 peak 119 spectrum 1 weight 0.10000E+01 volume 0.72626E-02 ppm1 8.315 ppm2 1.783 CV 1
OR { 119}
(( segid "SH3 " and resid 7 and name HB2 ))
(( segid "SH3 " and resid 7 and name HN ))
ASSI { 120}
(( segid "SH3 " and resid 7 and name HG1 ))
(( segid "SH3 " and resid 7 and name HN ))
2.500 0.800 0.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.48126E-02 ppm1 8.315 ppm2 1.471 CV 1
ASSI { 121}
(( segid "SH3 " and resid 6 and name HG1 ))
(( segid "SH3 " and resid 7 and name HN ))
3.900 1.900 1.900 peak 121 spectrum 1 weight 0.10000E+01 volume 0.61102E-03 ppm1 8.313 ppm2 1.163 CV 1
OR { 121}
(( segid "SH3 " and resid 6 and name HG2 ))
(( segid "SH3 " and resid 7 and name HN ))
ASSI { 123}
(( segid "SH3 " and resid 37 and name HA ))
(( segid "SH3 " and resid 38 and name HN ))
3.300 1.400 1.400 peak 123 spectrum 1 weight 0.10000E+01 volume 0.10942E-02 ppm1 8.617 ppm2 4.375 CV 1
ASSI { 124}
(( segid "SH3 " and resid 38 and name HA ))
(( segid "SH3 " and resid 38 and name HN ))
2.700 0.900 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.31180E-02 ppm1 8.619 ppm2 3.983 CV 1
ASSI { 125}
(( segid "SH3 " and resid 38 and name HB1 ))
(( segid "SH3 " and resid 38 and name HN ))
2.500 0.800 0.800 peak 125 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 8.618 ppm2 1.968 CV 1
ASSI { 127}
(( segid "SH3 " and resid 38 and name HD2 ))
(( segid "SH3 " and resid 38 and name HN ))
3.500 1.500 1.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.12007E-02 ppm1 8.618 ppm2 1.656 CV 1
OR { 127}
(( segid "SH3 " and resid 38 and name HD1 ))
(( segid "SH3 " and resid 38 and name HN ))
ASSI { 128}
(( segid "SH3 " and resid 38 and name HG1 ))
(( segid "SH3 " and resid 38 and name HN ))
3.200 1.300 1.300 peak 128 spectrum 1 weight 0.10000E+01 volume 0.13654E-02 ppm1 8.618 ppm2 1.531 CV 1
ASSI { 131}
(( segid "SH3 " and resid 9 and name HN ))
(( segid "SH3 " and resid 64 and name HN ))
4.300 2.300 1.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.32923E-03 ppm1 8.275 ppm2 8.864 CV 1
ASSI { 134}
(( segid "SH3 " and resid 9 and name HA1 ))
(( segid "SH3 " and resid 64 and name HN ))
3.500 1.500 1.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.32923E-02 ppm1 8.271 ppm2 4.999 CV 1
ASSI { 135}
(( segid "SH3 " and resid 64 and name HA ))
(( segid "SH3 " and resid 64 and name HN ))
2.900 1.100 1.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.20432E-02 ppm1 8.272 ppm2 4.036 CV 1
ASSI { 136}
(( segid "SH3 " and resid 9 and name HA2 ))
(( segid "SH3 " and resid 64 and name HN ))
3.100 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.11717E-02 ppm1 8.272 ppm2 3.270 CV 1
ASSI { 137}
(( segid "SH3 " and resid 63 and name HB1 ))
(( segid "SH3 " and resid 64 and name HN ))
3.500 1.500 1.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.11233E-02 ppm1 8.272 ppm2 2.238 CV 1
ASSI { 139}
( segid "SH3 " and resid 64 and name HG2%)
(( segid "SH3 " and resid 64 and name HN ))
2.600 0.900 0.900 peak 139 spectrum 1 weight 0.10000E+01 volume 0.41929E-02 ppm1 8.273 ppm2 0.836 CV 1
OR { 139}
( segid "SH3 " and resid 64 and name HG1%)
(( segid "SH3 " and resid 64 and name HN ))
ASSI { 140}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 64 and name HN ))
3.700 1.700 1.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.99739E-03 ppm1 8.273 ppm2 0.635 CV 1
ASSI { 141}
(( segid "SH3 " and resid 5 and name HA ))
(( segid "SH3 " and resid 6 and name HN ))
3.100 1.200 1.200 peak 141 spectrum 1 weight 0.10000E+01 volume 0.13944E-02 ppm1 8.012 ppm2 4.348 CV 1
ASSI { 142}
(( segid "SH3 " and resid 6 and name HB1 ))
(( segid "SH3 " and resid 6 and name HN ))
4.600 2.600 1.400 peak 142 spectrum 1 weight 0.10000E+01 volume 0.23047E-03 ppm1 8.008 ppm2 1.547 CV 1
ASSI { 143}
(( segid "SH3 " and resid 6 and name HB2 ))
(( segid "SH3 " and resid 6 and name HN ))
3.400 1.500 1.500 peak 143 spectrum 1 weight 0.10000E+01 volume 0.69623E-03 ppm1 8.010 ppm2 1.421 CV 1
ASSI { 144}
(( segid "SH3 " and resid 6 and name HG2 ))
(( segid "SH3 " and resid 6 and name HN ))
3.900 1.900 1.900 peak 144 spectrum 1 weight 0.10000E+01 volume 0.48320E-03 ppm1 8.009 ppm2 1.165 CV 1
OR { 144}
(( segid "SH3 " and resid 6 and name HG1 ))
(( segid "SH3 " and resid 6 and name HN ))
ASSI { 145}
(( segid "SH3 " and resid 43 and name HD1 ))
(( segid "SH3 " and resid 44 and name HN ))
4.400 2.400 1.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.68268E-03 ppm1 8.530 ppm2 7.241 CV 1
ASSI { 146}
(( segid "SH3 " and resid 55 and name HA ))
(( segid "SH3 " and resid 44 and name HN ))
4.300 2.300 1.700 peak 146 spectrum 1 weight 0.10000E+01 volume 0.34376E-03 ppm1 8.529 ppm2 5.139 CV 1
ASSI { 149}
(( segid "SH3 " and resid 35 and name HN ))
(( segid "SH3 " and resid 44 and name HN ))
2.900 1.000 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.19173E-02 ppm1 8.525 ppm2 7.575 CV 1
ASSI { 150}
(( segid "SH3 " and resid 43 and name HA ))
(( segid "SH3 " and resid 44 and name HN ))
2.300 0.700 0.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.72819E-02 ppm1 8.527 ppm2 5.439 CV 1
ASSI { 151}
(( segid "SH3 " and resid 44 and name HA ))
(( segid "SH3 " and resid 44 and name HN ))
3.000 1.100 1.100 peak 151 spectrum 1 weight 0.10000E+01 volume 0.16074E-02 ppm1 8.528 ppm2 5.003 CV 1
ASSI { 152}
(( segid "SH3 " and resid 43 and name HB1 ))
(( segid "SH3 " and resid 44 and name HN ))
2.600 0.800 0.800 peak 152 spectrum 1 weight 0.10000E+01 volume 0.29728E-02 ppm1 8.527 ppm2 2.911 CV 1
ASSI { 154}
(( segid "SH3 " and resid 35 and name HB2 ))
(( segid "SH3 " and resid 44 and name HN ))
3.600 1.600 1.600 peak 154 spectrum 1 weight 0.10000E+01 volume 0.66428E-03 ppm1 8.527 ppm2 2.553 CV 1
ASSI { 155}
(( segid "SH3 " and resid 44 and name HG1 ))
(( segid "SH3 " and resid 44 and name HN ))
2.400 0.700 0.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.69236E-02 ppm1 8.527 ppm2 2.144 CV 1
OR { 155}
(( segid "SH3 " and resid 44 and name HG2 ))
(( segid "SH3 " and resid 44 and name HN ))
ASSI { 158}
(( segid "SH3 " and resid 65 and name HA ))
(( segid "SH3 " and resid 66 and name HN ))
3.600 1.600 1.600 peak 158 spectrum 1 weight 0.10000E+01 volume 0.63232E-03 ppm1 8.248 ppm2 4.389 CV 1
ASSI { 159}
(( segid "SH3 " and resid 66 and name HB2 ))
(( segid "SH3 " and resid 66 and name HN ))
3.900 1.900 1.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.44931E-03 ppm1 8.250 ppm2 2.569 CV 1
ASSI { 161}
(( segid "SH3 " and resid 25 and name HN ))
(( segid "SH3 " and resid 24 and name HN ))
4.600 2.600 1.400 peak 161 spectrum 1 weight 0.10000E+01 volume 0.26823E-03 ppm1 7.780 ppm2 9.247 CV 1
ASSI { 162}
(( segid "SH3 " and resid 17 and name HN ))
(( segid "SH3 " and resid 24 and name HN ))
3.400 1.400 1.400 peak 162 spectrum 1 weight 0.10000E+01 volume 0.14525E-02 ppm1 7.783 ppm2 8.058 CV 1
ASSI { 163}
(( segid "SH3 " and resid 24 and name HA ))
(( segid "SH3 " and resid 24 and name HN ))
2.800 1.000 1.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.23240E-02 ppm1 7.782 ppm2 4.891 CV 1
ASSI { 164}
(( segid "SH3 " and resid 23 and name HA ))
(( segid "SH3 " and resid 24 and name HN ))
2.100 0.600 0.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.10651E-01 ppm1 7.783 ppm2 4.565 CV 1
ASSI { 165}
(( segid "SH3 " and resid 24 and name HB ))
(( segid "SH3 " and resid 24 and name HN ))
2.300 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.69333E-02 ppm1 7.781 ppm2 4.049 CV 1
ASSI { 166}
(( segid "SH3 " and resid 23 and name HB1 ))
(( segid "SH3 " and resid 24 and name HN ))
3.900 1.900 1.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.68268E-03 ppm1 7.781 ppm2 1.649 CV 1
ASSI { 168}
( segid "SH3 " and resid 25 and name HG2%)
(( segid "SH3 " and resid 24 and name HN ))
3.300 1.400 1.400 peak 168 spectrum 1 weight 0.10000E+01 volume 0.58197E-03 ppm1 7.781 ppm2 0.856 CV 1
ASSI { 169}
( segid "SH3 " and resid 23 and name HD1%)
(( segid "SH3 " and resid 24 and name HN ))
2.600 0.900 0.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.42316E-02 ppm1 7.782 ppm2 0.692 CV 1
ASSI { 170}
(( segid "SH3 " and resid 28 and name HN ))
(( segid "SH3 " and resid 29 and name HN ))
2.600 0.800 0.800 peak 170 spectrum 1 weight 0.10000E+01 volume 0.35248E-02 ppm1 8.468 ppm2 8.884 CV 1
ASSI { 171}
(( segid "SH3 " and resid 30 and name HN ))
(( segid "SH3 " and resid 29 and name HN ))
3.700 1.700 1.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.99739E-03 ppm1 8.471 ppm2 8.096 CV 1
ASSI { 173}
(( segid "SH3 " and resid 29 and name HA ))
(( segid "SH3 " and resid 29 and name HN ))
2.700 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.33892E-02 ppm1 8.470 ppm2 4.501 CV 1
ASSI { 174}
(( segid "SH3 " and resid 28 and name HA1 ))
(( segid "SH3 " and resid 29 and name HN ))
3.200 1.300 1.300 peak 174 spectrum 1 weight 0.10000E+01 volume 0.14913E-02 ppm1 8.468 ppm2 4.379 CV 1
ASSI { 175}
(( segid "SH3 " and resid 27 and name HB1 ))
(( segid "SH3 " and resid 29 and name HN ))
4.600 2.600 1.400 peak 175 spectrum 1 weight 0.10000E+01 volume 0.45222E-03 ppm1 8.471 ppm2 3.522 CV 1
OR { 175}
(( segid "SH3 " and resid 27 and name HB2 ))
(( segid "SH3 " and resid 29 and name HN ))
ASSI { 176}
(( segid "SH3 " and resid 27 and name HA ))
(( segid "SH3 " and resid 29 and name HN ))
3.200 1.300 1.300 peak 176 spectrum 1 weight 0.10000E+01 volume 0.25564E-02 ppm1 8.469 ppm2 3.343 CV 1
ASSI { 177}
(( segid "SH3 " and resid 29 and name HB1 ))
(( segid "SH3 " and resid 29 and name HN ))
3.000 1.100 1.100 peak 177 spectrum 1 weight 0.10000E+01 volume 0.60231E-02 ppm1 8.470 ppm2 2.759 CV 1
ASSI { 178}
(( segid "SH3 " and resid 11 and name HB ))
(( segid "SH3 " and resid 29 and name HN ))
2.900 2.900 3.100 peak 178 spectrum 1 weight 0.10000E+01 volume 0.82209E-02 ppm1 8.470 ppm2 2.224 CV 1
ASSI { 179}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 29 and name HN ))
3.300 1.300 1.300 peak 179 spectrum 1 weight 0.10000E+01 volume 0.26339E-02 ppm1 8.470 ppm2 0.814 CV 1
ASSI { 182}
( segid "SH3 " and resid 11 and name HG1%)
(( segid "SH3 " and resid 29 and name HN ))
2.800 1.000 1.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.21691E-02 ppm1 8.468 ppm2 0.911 CV 1
ASSI { 183}
(( segid "SH3 " and resid 69 and name HA ))
(( segid "SH3 " and resid 68 and name HN ))
4.300 2.300 1.700 peak 183 spectrum 1 weight 0.10000E+01 volume 0.31762E-03 ppm1 8.202 ppm2 4.694 CV 1
ASSI { 186}
(( segid "SH3 " and resid 47 and name HN ))
(( segid "SH3 " and resid 52 and name HN ))
3.600 1.600 1.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.52387E-03 ppm1 7.394 ppm2 8.957 CV 1
ASSI { 187}
(( segid "SH3 " and resid 53 and name HN ))
(( segid "SH3 " and resid 52 and name HN ))
4.300 2.300 1.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.35828E-03 ppm1 7.394 ppm2 8.512 CV 1
ASSI { 188}
(( segid "SH3 " and resid 51 and name HN ))
(( segid "SH3 " and resid 52 and name HN ))
2.500 0.800 0.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.31180E-02 ppm1 7.393 ppm2 7.874 CV 1
ASSI { 190}
(( segid "SH3 " and resid 52 and name HA ))
(( segid "SH3 " and resid 52 and name HN ))
2.500 0.800 0.800 peak 190 spectrum 1 weight 0.10000E+01 volume 0.40670E-02 ppm1 7.395 ppm2 4.288 CV 1
ASSI { 191}
(( segid "SH3 " and resid 50 and name HB1 ))
(( segid "SH3 " and resid 52 and name HN ))
3.500 1.600 1.600 peak 191 spectrum 1 weight 0.10000E+01 volume 0.10264E-02 ppm1 7.395 ppm2 3.994 CV 1
ASSI { 192}
(( segid "SH3 " and resid 51 and name HA2 ))
(( segid "SH3 " and resid 52 and name HN ))
2.900 1.100 1.100 peak 192 spectrum 1 weight 0.10000E+01 volume 0.20142E-02 ppm1 7.394 ppm2 3.837 CV 1
ASSI { 193}
(( segid "SH3 " and resid 47 and name HB2 ))
(( segid "SH3 " and resid 52 and name HN ))
2.300 0.600 0.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.75240E-02 ppm1 7.394 ppm2 1.828 CV 1
OR { 193}
(( segid "SH3 " and resid 47 and name HB1 ))
(( segid "SH3 " and resid 52 and name HN ))
ASSI { 194}
(( segid "SH3 " and resid 52 and name HB2 ))
(( segid "SH3 " and resid 52 and name HN ))
2.200 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.78627E-02 ppm1 7.394 ppm2 1.649 CV 1
ASSI { 195}
(( segid "SH3 " and resid 52 and name HG1 ))
(( segid "SH3 " and resid 52 and name HN ))
2.200 0.600 0.600 peak 195 spectrum 1 weight 0.10000E+01 volume 0.67784E-02 ppm1 7.396 ppm2 1.478 CV 1
ASSI { 196}
( segid "SH3 " and resid 47 and name HD1%)
(( segid "SH3 " and resid 52 and name HN ))
3.600 1.600 1.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.10555E-02 ppm1 7.395 ppm2 1.090 CV 1
ASSI { 197}
( segid "SH3 " and resid 23 and name HD1%)
(( segid "SH3 " and resid 52 and name HN ))
4.300 2.300 1.700 peak 197 spectrum 1 weight 0.10000E+01 volume 0.45028E-03 ppm1 7.394 ppm2 0.698 CV 1
ASSI { 201}
(( segid "SH3 " and resid 43 and name HA ))
(( segid "SH3 " and resid 43 and name HN ))
3.100 1.200 1.200 peak 201 spectrum 1 weight 0.10000E+01 volume 0.12298E-02 ppm1 9.035 ppm2 5.439 CV 1
ASSI { 202}
(( segid "SH3 " and resid 42 and name HA ))
(( segid "SH3 " and resid 43 and name HN ))
2.200 0.600 0.600 peak 202 spectrum 1 weight 0.10000E+01 volume 0.88702E-02 ppm1 9.037 ppm2 4.826 CV 1
ASSI { 203}
(( segid "SH3 " and resid 57 and name HA ))
(( segid "SH3 " and resid 43 and name HN ))
3.600 1.600 1.600 peak 203 spectrum 1 weight 0.10000E+01 volume 0.81048E-03 ppm1 9.036 ppm2 3.148 CV 1
ASSI { 205}
(( segid "SH3 " and resid 43 and name HB2 ))
(( segid "SH3 " and resid 43 and name HN ))
2.400 0.700 0.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.44640E-02 ppm1 9.037 ppm2 2.754 CV 1
ASSI { 206}
(( segid "SH3 " and resid 58 and name HA ))
(( segid "SH3 " and resid 43 and name HN ))
4.000 2.000 2.000 peak 206 spectrum 1 weight 0.10000E+01 volume 0.37378E-03 ppm1 9.038 ppm2 2.257 CV 1
ASSI { 208}
( segid "SH3 " and resid 58 and name HB% )
(( segid "SH3 " and resid 43 and name HN ))
3.800 1.800 1.800 peak 208 spectrum 1 weight 0.10000E+01 volume 0.51418E-03 ppm1 9.039 ppm2 -0.258 CV 1
ASSI { 210}
(( segid "SH3 " and resid 15 and name HN ))
(( segid "SH3 " and resid 25 and name HN ))
3.200 1.300 1.300 peak 210 spectrum 1 weight 0.10000E+01 volume 0.12007E-02 ppm1 9.239 ppm2 8.545 CV 1
ASSI { 212}
( segid "SH3 " and resid 15 and name HD% )
(( segid "SH3 " and resid 25 and name HN ))
3.600 1.600 1.600 peak 212 spectrum 1 weight 0.10000E+01 volume 0.64685E-03 ppm1 9.236 ppm2 7.464 CV 1
ASSI { 213}
(( segid "SH3 " and resid 24 and name HA ))
(( segid "SH3 " and resid 25 and name HN ))
2.100 0.600 0.600 peak 213 spectrum 1 weight 0.10000E+01 volume 0.10361E-01 ppm1 9.239 ppm2 4.888 CV 1
ASSI { 214}
(( segid "SH3 " and resid 16 and name HA ))
(( segid "SH3 " and resid 25 and name HN ))
3.600 1.600 1.600 peak 214 spectrum 1 weight 0.10000E+01 volume 0.87441E-03 ppm1 9.237 ppm2 4.482 CV 1
ASSI { 215}
(( segid "SH3 " and resid 15 and name HB2 ))
(( segid "SH3 " and resid 25 and name HN ))
4.700 2.700 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.66912E-03 ppm1 9.237 ppm2 2.990 CV 1
ASSI { 216}
(( segid "SH3 " and resid 25 and name HB ))
(( segid "SH3 " and resid 25 and name HN ))
3.700 1.700 1.700 peak 216 spectrum 1 weight 0.10000E+01 volume 0.79406E-03 ppm1 9.236 ppm2 2.106 CV 1
ASSI { 217}
(( segid "SH3 " and resid 25 and name HG12))
(( segid "SH3 " and resid 25 and name HN ))
2.300 0.600 0.600 peak 217 spectrum 1 weight 0.10000E+01 volume 0.51709E-02 ppm1 9.238 ppm2 1.826 CV 1
ASSI { 218}
( segid "SH3 " and resid 24 and name HG2%)
(( segid "SH3 " and resid 25 and name HN ))
2.900 1.000 1.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.29340E-02 ppm1 9.237 ppm2 1.303 CV 1
ASSI { 219}
( segid "SH3 " and resid 25 and name HD1%)
(( segid "SH3 " and resid 25 and name HN ))
4.100 2.100 1.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.10361E-02 ppm1 9.237 ppm2 0.991 CV 1
ASSI { 220}
( segid "SH3 " and resid 25 and name HG2%)
(( segid "SH3 " and resid 25 and name HN ))
3.100 1.200 1.200 peak 220 spectrum 1 weight 0.10000E+01 volume 0.15203E-02 ppm1 9.237 ppm2 0.872 CV 1
ASSI { 221}
(( segid "SH3 " and resid 42 and name HE3 ))
(( segid "SH3 " and resid 43 and name HN ))
4.100 2.100 1.900 peak 221 spectrum 1 weight 0.10000E+01 volume 0.45512E-03 ppm1 9.037 ppm2 6.984 CV 1
OR { 221}
(( segid "SH3 " and resid 42 and name HD1 ))
(( segid "SH3 " and resid 43 and name HN ))
ASSI { 222}
(( segid "SH3 " and resid 55 and name HA ))
(( segid "SH3 " and resid 43 and name HN ))
4.300 2.400 1.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.33117E-03 ppm1 9.034 ppm2 5.155 CV 1
ASSI { 223}
(( segid "SH3 " and resid 62 and name HN ))
(( segid "SH3 " and resid 61 and name HN ))
4.300 2.300 1.700 peak 223 spectrum 1 weight 0.10000E+01 volume 0.38055E-03 ppm1 7.512 ppm2 8.733 CV 1
ASSI { 224}
(( segid "SH3 " and resid 61 and name HA ))
(( segid "SH3 " and resid 61 and name HN ))
2.900 1.000 1.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.17333E-02 ppm1 7.509 ppm2 4.413 CV 1
ASSI { 225}
(( segid "SH3 " and resid 59 and name HA ))
(( segid "SH3 " and resid 61 and name HN ))
3.500 1.500 1.500 peak 225 spectrum 1 weight 0.10000E+01 volume 0.93544E-03 ppm1 7.509 ppm2 3.988 CV 1
ASSI { 226}
(( segid "SH3 " and resid 60 and name HB1 ))
(( segid "SH3 " and resid 61 and name HN ))
4.500 2.600 1.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.28373E-03 ppm1 7.513 ppm2 3.441 CV 1
ASSI { 227}
(( segid "SH3 " and resid 60 and name HB2 ))
(( segid "SH3 " and resid 61 and name HN ))
3.600 1.600 1.600 peak 227 spectrum 1 weight 0.10000E+01 volume 0.10845E-02 ppm1 7.509 ppm2 3.068 CV 1
ASSI { 228}
(( segid "SH3 " and resid 61 and name HB ))
(( segid "SH3 " and resid 61 and name HN ))
2.400 0.700 0.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.63523E-02 ppm1 7.510 ppm2 2.267 CV 1
ASSI { 230}
(( segid "SH3 " and resid 61 and name HG11))
(( segid "SH3 " and resid 61 and name HN ))
3.300 1.300 1.300 peak 230 spectrum 1 weight 0.10000E+01 volume 0.36022E-02 ppm1 7.510 ppm2 1.486 CV 1
ASSI { 231}
(( segid "SH3 " and resid 61 and name HG12))
(( segid "SH3 " and resid 61 and name HN ))
3.000 1.100 1.100 peak 231 spectrum 1 weight 0.10000E+01 volume 0.13654E-02 ppm1 7.511 ppm2 1.180 CV 1
ASSI { 232}
( segid "SH3 " and resid 61 and name HD1%)
(( segid "SH3 " and resid 61 and name HN ))
3.200 1.300 1.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.23821E-02 ppm1 7.508 ppm2 0.672 CV 1
OR { 232}
( segid "SH3 " and resid 61 and name HG2%)
(( segid "SH3 " and resid 61 and name HN ))
ASSI { 235}
(( segid "SH3 " and resid 43 and name HZ3 ))
(( segid "SH3 " and resid 61 and name HN ))
3.800 1.800 1.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.62071E-03 ppm1 7.509 ppm2 6.704 CV 1
ASSI { 236}
(( segid "SH3 " and resid 60 and name HA ))
(( segid "SH3 " and resid 61 and name HN ))
3.300 1.300 1.300 peak 236 spectrum 1 weight 0.10000E+01 volume 0.11620E-02 ppm1 7.511 ppm2 4.695 CV 1
ASSI { 237}
(( segid "SH3 " and resid 64 and name HN ))
(( segid "SH3 " and resid 10 and name HN ))
4.000 2.000 2.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.61586E-03 ppm1 8.744 ppm2 8.277 CV 1
ASSI { 239}
(( segid "SH3 " and resid 9 and name HA1 ))
(( segid "SH3 " and resid 10 and name HN ))
2.500 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.72335E-02 ppm1 8.746 ppm2 4.998 CV 1
ASSI { 240}
(( segid "SH3 " and resid 10 and name HA ))
(( segid "SH3 " and resid 10 and name HN ))
2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.51612E-02 ppm1 8.745 ppm2 4.876 CV 1
ASSI { 241}
(( segid "SH3 " and resid 63 and name HA ))
(( segid "SH3 " and resid 10 and name HN ))
3.800 1.800 1.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.68171E-03 ppm1 8.744 ppm2 4.655 CV 1
ASSI { 242}
(( segid "SH3 " and resid 61 and name HA ))
(( segid "SH3 " and resid 10 and name HN ))
4.400 2.400 1.600 peak 242 spectrum 1 weight 0.10000E+01 volume 0.33795E-03 ppm1 8.749 ppm2 4.402 CV 1
ASSI { 243}
(( segid "SH3 " and resid 9 and name HA2 ))
(( segid "SH3 " and resid 10 and name HN ))
2.400 0.700 0.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.46093E-02 ppm1 8.746 ppm2 3.269 CV 1
ASSI { 244}
(( segid "SH3 " and resid 62 and name HB1 ))
(( segid "SH3 " and resid 10 and name HN ))
3.200 1.300 1.300 peak 244 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 8.746 ppm2 2.045 CV 1
ASSI { 246}
(( segid "SH3 " and resid 62 and name HB2 ))
(( segid "SH3 " and resid 10 and name HN ))
3.500 1.500 1.500 peak 246 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 8.746 ppm2 1.727 CV 1
ASSI { 247}
(( segid "SH3 " and resid 10 and name HB ))
(( segid "SH3 " and resid 10 and name HN ))
2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.31277E-02 ppm1 8.745 ppm2 1.593 CV 1
ASSI { 248}
(( segid "SH3 " and resid 10 and name HG11))
(( segid "SH3 " and resid 10 and name HN ))
3.100 1.200 1.200 peak 248 spectrum 1 weight 0.10000E+01 volume 0.11717E-02 ppm1 8.745 ppm2 1.389 CV 1
ASSI { 249}
(( segid "SH3 " and resid 10 and name HG12))
(( segid "SH3 " and resid 10 and name HN ))
4.000 2.000 2.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.76112E-03 ppm1 8.746 ppm2 1.002 CV 1
ASSI { 250}
( segid "SH3 " and resid 10 and name HD1%)
(( segid "SH3 " and resid 10 and name HN ))
3.000 1.200 1.200 peak 250 spectrum 1 weight 0.10000E+01 volume 0.28953E-02 ppm1 8.745 ppm2 0.805 CV 1
ASSI { 251}
( segid "SH3 " and resid 61 and name HG2%)
(( segid "SH3 " and resid 10 and name HN ))
2.600 0.900 0.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.38347E-02 ppm1 8.744 ppm2 0.697 CV 1
ASSI { 252}
(( segid "SH3 " and resid 43 and name HD1 ))
(( segid "SH3 " and resid 42 and name HN ))
3.600 1.600 1.600 peak 252 spectrum 1 weight 0.10000E+01 volume 0.57423E-03 ppm1 7.572 ppm2 7.235 CV 1
ASSI { 255}
(( segid "SH3 " and resid 19 and name HN ))
(( segid "SH3 " and resid 18 and name HN ))
2.400 0.700 0.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.52774E-02 ppm1 8.681 ppm2 7.423 CV 1
ASSI { 257}
(( segid "SH3 " and resid 17 and name HA ))
(( segid "SH3 " and resid 18 and name HN ))
2.200 0.600 0.600 peak 257 spectrum 1 weight 0.10000E+01 volume 0.86571E-02 ppm1 8.681 ppm2 3.784 CV 1
ASSI { 258}
(( segid "SH3 " and resid 18 and name HB1 ))
(( segid "SH3 " and resid 18 and name HN ))
2.500 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.52968E-02 ppm1 8.681 ppm2 2.154 CV 1
OR { 258}
(( segid "SH3 " and resid 18 and name HG2 ))
(( segid "SH3 " and resid 18 and name HN ))
ASSI { 259}
(( segid "SH3 " and resid 18 and name HB2 ))
(( segid "SH3 " and resid 18 and name HN ))
2.800 1.000 1.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.25951E-02 ppm1 8.682 ppm2 1.880 CV 1
ASSI { 260}
( segid "SH3 " and resid 17 and name HB% )
(( segid "SH3 " and resid 18 and name HN ))
3.100 1.200 1.200 peak 260 spectrum 1 weight 0.10000E+01 volume 0.18011E-02 ppm1 8.681 ppm2 1.242 CV 1
ASSI { 262}
(( segid "SH3 " and resid 18 and name HA ))
(( segid "SH3 " and resid 18 and name HN ))
3.200 1.300 1.300 peak 262 spectrum 1 weight 0.10000E+01 volume 0.11717E-02 ppm1 8.679 ppm2 4.368 CV 1
ASSI { 263}
(( segid "SH3 " and resid 43 and name HN ))
(( segid "SH3 " and resid 42 and name HN ))
4.600 2.600 1.400 peak 263 spectrum 1 weight 0.10000E+01 volume 0.27791E-03 ppm1 7.568 ppm2 9.037 CV 1
ASSI { 264}
(( segid "SH3 " and resid 41 and name HN ))
(( segid "SH3 " and resid 42 and name HN ))
2.400 0.700 0.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.60715E-02 ppm1 7.569 ppm2 7.942 CV 1
ASSI { 266}
(( segid "SH3 " and resid 42 and name HD1 ))
(( segid "SH3 " and resid 42 and name HN ))
3.500 1.600 1.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.74562E-03 ppm1 7.567 ppm2 6.983 CV 1
ASSI { 268}
(( segid "SH3 " and resid 42 and name HA ))
(( segid "SH3 " and resid 42 and name HN ))
3.000 1.100 1.100 peak 268 spectrum 1 weight 0.10000E+01 volume 0.15784E-02 ppm1 7.571 ppm2 4.826 CV 1
ASSI { 269}
(( segid "SH3 " and resid 39 and name HA ))
(( segid "SH3 " and resid 42 and name HN ))
4.300 2.300 1.700 peak 269 spectrum 1 weight 0.10000E+01 volume 0.50160E-03 ppm1 7.570 ppm2 4.695 CV 1
ASSI { 271}
(( segid "SH3 " and resid 39 and name HB1 ))
(( segid "SH3 " and resid 42 and name HN ))
2.600 0.800 0.800 peak 271 spectrum 1 weight 0.10000E+01 volume 0.36506E-02 ppm1 7.570 ppm2 4.278 CV 1
ASSI { 273}
(( segid "SH3 " and resid 39 and name HB2 ))
(( segid "SH3 " and resid 42 and name HN ))
3.500 1.500 1.500 peak 273 spectrum 1 weight 0.10000E+01 volume 0.93636E-03 ppm1 7.568 ppm2 3.993 CV 1
ASSI { 274}
(( segid "SH3 " and resid 42 and name HB1 ))
(( segid "SH3 " and resid 42 and name HN ))
3.300 1.400 1.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.30019E-02 ppm1 7.569 ppm2 2.951 CV 1
ASSI { 275}
(( segid "SH3 " and resid 42 and name HB2 ))
(( segid "SH3 " and resid 42 and name HN ))
2.500 0.800 0.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.36409E-02 ppm1 7.569 ppm2 2.832 CV 1
ASSI { 276}
(( segid "SH3 " and resid 41 and name HB1 ))
(( segid "SH3 " and resid 42 and name HN ))
2.800 1.000 1.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.25467E-02 ppm1 7.568 ppm2 2.367 CV 1
OR { 276}
(( segid "SH3 " and resid 41 and name HB2 ))
(( segid "SH3 " and resid 42 and name HN ))
ASSI { 277}
(( segid "SH3 " and resid 40 and name HB2 ))
(( segid "SH3 " and resid 42 and name HN ))
4.300 2.300 1.700 peak 277 spectrum 1 weight 0.10000E+01 volume 0.46577E-03 ppm1 7.570 ppm2 1.768 CV 1
OR { 277}
(( segid "SH3 " and resid 40 and name HB1 ))
(( segid "SH3 " and resid 42 and name HN ))
ASSI { 278}
( segid "SH3 " and resid 58 and name HB% )
(( segid "SH3 " and resid 42 and name HN ))
3.400 1.500 1.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.45319E-03 ppm1 7.565 ppm2 -0.262 CV 1
ASSI { 279}
(( segid "SH3 " and resid 55 and name HN ))
(( segid "SH3 " and resid 22 and name HN ))
4.200 2.200 1.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.38927E-03 ppm1 7.366 ppm2 8.892 CV 1
ASSI { 281}
(( segid "SH3 " and resid 21 and name HN ))
(( segid "SH3 " and resid 22 and name HN ))
2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.47158E-02 ppm1 7.362 ppm2 8.095 CV 1
ASSI { 282}
(( segid "SH3 " and resid 22 and name HA ))
(( segid "SH3 " and resid 22 and name HN ))
3.000 1.100 1.100 peak 282 spectrum 1 weight 0.10000E+01 volume 0.17720E-02 ppm1 7.362 ppm2 5.068 CV 1
ASSI { 283}
(( segid "SH3 " and resid 21 and name HA ))
(( segid "SH3 " and resid 22 and name HN ))
3.300 1.300 1.300 peak 283 spectrum 1 weight 0.10000E+01 volume 0.13266E-02 ppm1 7.362 ppm2 4.632 CV 1
ASSI { 284}
(( segid "SH3 " and resid 20 and name HA ))
(( segid "SH3 " and resid 22 and name HN ))
3.800 1.800 1.800 peak 284 spectrum 1 weight 0.10000E+01 volume 0.48223E-03 ppm1 7.363 ppm2 4.189 CV 1
ASSI { 285}
(( segid "SH3 " and resid 19 and name HB1 ))
(( segid "SH3 " and resid 22 and name HN ))
4.200 2.200 1.800 peak 285 spectrum 1 weight 0.10000E+01 volume 0.33989E-03 ppm1 7.363 ppm2 3.933 CV 1
ASSI { 286}
(( segid "SH3 " and resid 17 and name HA ))
(( segid "SH3 " and resid 22 and name HN ))
5.000 3.100 1.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.27113E-03 ppm1 7.366 ppm2 3.787 CV 1
ASSI { 287}
(( segid "SH3 " and resid 19 and name HB2 ))
(( segid "SH3 " and resid 22 and name HN ))
4.300 2.300 1.700 peak 287 spectrum 1 weight 0.10000E+01 volume 0.24402E-03 ppm1 7.363 ppm2 3.655 CV 1
ASSI { 288}
(( segid "SH3 " and resid 21 and name HB1 ))
(( segid "SH3 " and resid 22 and name HN ))
4.300 2.300 1.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.44253E-03 ppm1 7.360 ppm2 2.651 CV 1
ASSI { 289}
(( segid "SH3 " and resid 21 and name HB2 ))
(( segid "SH3 " and resid 22 and name HN ))
3.400 1.400 1.400 peak 289 spectrum 1 weight 0.10000E+01 volume 0.79498E-03 ppm1 7.362 ppm2 2.514 CV 1
ASSI { 290}
(( segid "SH3 " and resid 22 and name HB2 ))
(( segid "SH3 " and resid 22 and name HN ))
2.100 0.500 0.500 peak 290 spectrum 1 weight 0.10000E+01 volume 0.11620E-01 ppm1 7.362 ppm2 2.232 CV 1
OR { 290}
(( segid "SH3 " and resid 22 and name HG1 ))
(( segid "SH3 " and resid 22 and name HN ))
ASSI { 291}
( segid "SH3 " and resid 17 and name HB% )
(( segid "SH3 " and resid 22 and name HN ))
3.700 1.700 1.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 7.362 ppm2 1.239 CV 1
ASSI { 293}
(( segid "SH3 " and resid 22 and name HA ))
(( segid "SH3 " and resid 55 and name HN ))
2.300 0.700 0.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.66041E-02 ppm1 8.896 ppm2 5.069 CV 1
ASSI { 294}
(( segid "SH3 " and resid 54 and name HA1 ))
(( segid "SH3 " and resid 55 and name HN ))
2.400 0.700 0.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.55292E-02 ppm1 8.897 ppm2 4.023 CV 1
ASSI { 295}
(( segid "SH3 " and resid 54 and name HA2 ))
(( segid "SH3 " and resid 55 and name HN ))
2.400 0.700 0.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.64685E-02 ppm1 8.896 ppm2 3.922 CV 1
ASSI { 296}
(( segid "SH3 " and resid 22 and name HG1 ))
(( segid "SH3 " and resid 55 and name HN ))
3.200 1.300 1.300 peak 296 spectrum 1 weight 0.10000E+01 volume 0.31180E-02 ppm1 8.895 ppm2 2.221 CV 1
OR { 296}
(( segid "SH3 " and resid 22 and name HB2 ))
(( segid "SH3 " and resid 55 and name HN ))
ASSI { 297}
(( segid "SH3 " and resid 55 and name HG ))
(( segid "SH3 " and resid 55 and name HN ))
2.700 2.700 3.300 peak 297 spectrum 1 weight 0.10000E+01 volume 0.56551E-02 ppm1 8.896 ppm2 1.739 CV 1
ASSI { 299}
(( segid "SH3 " and resid 55 and name HB2 ))
(( segid "SH3 " and resid 55 and name HN ))
2.500 0.800 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.41348E-02 ppm1 8.896 ppm2 1.480 CV 1
ASSI { 304}
(( segid "SH3 " and resid 32 and name HN ))
(( segid "SH3 " and resid 46 and name HN ))
2.800 1.000 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.23434E-02 ppm1 8.897 ppm2 9.412 CV 1
ASSI { 307}
(( segid "SH3 " and resid 53 and name HA ))
(( segid "SH3 " and resid 46 and name HN ))
4.800 2.900 1.200 peak 307 spectrum 1 weight 0.10000E+01 volume 0.24887E-03 ppm1 8.896 ppm2 5.837 CV 1
ASSI { 308}
(( segid "SH3 " and resid 45 and name HA ))
(( segid "SH3 " and resid 46 and name HN ))
2.400 0.700 0.700 peak 308 spectrum 1 weight 0.10000E+01 volume 0.61296E-02 ppm1 8.897 ppm2 5.556 CV 1
ASSI { 309}
(( segid "SH3 " and resid 33 and name HA ))
(( segid "SH3 " and resid 46 and name HN ))
3.600 1.700 1.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.97799E-03 ppm1 8.898 ppm2 4.304 CV 1
ASSI { 310}
(( segid "SH3 " and resid 32 and name HB1 ))
(( segid "SH3 " and resid 46 and name HN ))
3.700 1.700 1.700 peak 310 spectrum 1 weight 0.10000E+01 volume 0.14041E-02 ppm1 8.898 ppm2 2.902 CV 1
ASSI { 311}
(( segid "SH3 " and resid 45 and name HB1 ))
(( segid "SH3 " and resid 46 and name HN ))
2.300 0.700 0.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.71754E-02 ppm1 8.897 ppm2 2.703 CV 1
ASSI { 314}
(( segid "SH3 " and resid 16 and name HN ))
(( segid "SH3 " and resid 15 and name HN ))
4.100 2.100 1.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.48320E-03 ppm1 8.541 ppm2 8.025 CV 1
ASSI { 316}
(( segid "SH3 " and resid 14 and name HN ))
(( segid "SH3 " and resid 15 and name HN ))
4.700 2.800 1.300 peak 316 spectrum 1 weight 0.10000E+01 volume 0.30019E-03 ppm1 8.544 ppm2 7.603 CV 1
ASSI { 317}
(( segid "SH3 " and resid 26 and name HA ))
(( segid "SH3 " and resid 15 and name HN ))
3.200 1.300 1.300 peak 317 spectrum 1 weight 0.10000E+01 volume 0.12879E-02 ppm1 8.544 ppm2 4.827 CV 1
ASSI { 318}
(( segid "SH3 " and resid 15 and name HA ))
(( segid "SH3 " and resid 15 and name HN ))
3.200 1.300 1.300 peak 318 spectrum 1 weight 0.10000E+01 volume 0.11620E-02 ppm1 8.545 ppm2 4.658 CV 1
ASSI { 319}
(( segid "SH3 " and resid 14 and name HA ))
(( segid "SH3 " and resid 15 and name HN ))
2.400 0.700 0.700 peak 319 spectrum 1 weight 0.10000E+01 volume 0.65557E-02 ppm1 8.544 ppm2 4.394 CV 1
ASSI { 320}
(( segid "SH3 " and resid 15 and name HB1 ))
(( segid "SH3 " and resid 15 and name HN ))
3.200 1.300 1.300 peak 320 spectrum 1 weight 0.10000E+01 volume 0.93055E-03 ppm1 8.545 ppm2 3.273 CV 1
ASSI { 321}
(( segid "SH3 " and resid 15 and name HB2 ))
(( segid "SH3 " and resid 15 and name HN ))
3.100 1.200 1.200 peak 321 spectrum 1 weight 0.10000E+01 volume 0.19173E-02 ppm1 8.544 ppm2 2.993 CV 1
ASSI { 322}
(( segid "SH3 " and resid 14 and name HB1 ))
(( segid "SH3 " and resid 15 and name HN ))
3.200 1.300 1.300 peak 322 spectrum 1 weight 0.10000E+01 volume 0.13750E-02 ppm1 8.545 ppm2 2.621 CV 1
ASSI { 323}
(( segid "SH3 " and resid 14 and name HB2 ))
(( segid "SH3 " and resid 15 and name HN ))
3.700 1.700 1.700 peak 323 spectrum 1 weight 0.10000E+01 volume 0.94125E-03 ppm1 8.546 ppm2 2.293 CV 1
ASSI { 324}
(( segid "SH3 " and resid 25 and name HB ))
(( segid "SH3 " and resid 15 and name HN ))
3.900 1.900 1.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.71463E-03 ppm1 8.544 ppm2 2.113 CV 1
ASSI { 325}
(( segid "SH3 " and resid 25 and name HG11))
(( segid "SH3 " and resid 15 and name HN ))
2.500 0.800 0.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.35732E-02 ppm1 8.544 ppm2 1.922 CV 1
ASSI { 326}
(( segid "SH3 " and resid 25 and name HG12))
(( segid "SH3 " and resid 15 and name HN ))
3.000 1.100 1.100 peak 326 spectrum 1 weight 0.10000E+01 volume 0.36022E-02 ppm1 8.545 ppm2 1.836 CV 1
ASSI { 328}
( segid "SH3 " and resid 25 and name HD1%)
(( segid "SH3 " and resid 15 and name HN ))
3.400 1.500 1.500 peak 328 spectrum 1 weight 0.10000E+01 volume 0.47061E-03 ppm1 8.544 ppm2 0.986 CV 1
ASSI { 331}
(( segid "SH3 " and resid 31 and name HN ))
(( segid "SH3 " and resid 30 and name HN ))
4.100 2.100 1.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.67784E-03 ppm1 8.088 ppm2 8.369 CV 1
ASSI { 332}
(( segid "SH3 " and resid 30 and name HA ))
(( segid "SH3 " and resid 30 and name HN ))
2.900 1.000 1.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.21013E-02 ppm1 8.087 ppm2 4.868 CV 1
ASSI { 333}
(( segid "SH3 " and resid 29 and name HA ))
(( segid "SH3 " and resid 30 and name HN ))
2.100 0.600 0.600 peak 333 spectrum 1 weight 0.10000E+01 volume 0.12298E-01 ppm1 8.086 ppm2 4.500 CV 1
ASSI { 334}
(( segid "SH3 " and resid 29 and name HB1 ))
(( segid "SH3 " and resid 30 and name HN ))
3.400 1.400 1.400 peak 334 spectrum 1 weight 0.10000E+01 volume 0.10264E-02 ppm1 8.087 ppm2 2.761 CV 1
ASSI { 335}
(( segid "SH3 " and resid 29 and name HB2 ))
(( segid "SH3 " and resid 30 and name HN ))
3.400 1.400 1.400 peak 335 spectrum 1 weight 0.10000E+01 volume 0.24790E-02 ppm1 8.087 ppm2 2.306 CV 1
ASSI { 336}
(( segid "SH3 " and resid 30 and name HB2 ))
(( segid "SH3 " and resid 30 and name HN ))
2.100 0.600 0.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.11427E-01 ppm1 8.087 ppm2 1.679 CV 1
ASSI { 337}
(( segid "SH3 " and resid 30 and name HG1 ))
(( segid "SH3 " and resid 30 and name HN ))
3.200 1.300 1.300 peak 337 spectrum 1 weight 0.10000E+01 volume 0.14428E-02 ppm1 8.087 ppm2 1.415 CV 1
OR { 337}
(( segid "SH3 " and resid 30 and name HG2 ))
(( segid "SH3 " and resid 30 and name HN ))
ASSI { 339}
( segid "SH3 " and resid 10 and name HG2%)
(( segid "SH3 " and resid 30 and name HN ))
4.300 2.300 1.700 peak 339 spectrum 1 weight 0.10000E+01 volume 0.27597E-03 ppm1 8.084 ppm2 0.773 CV 1
OR { 339}
( segid "SH3 " and resid 10 and name HD1%)
(( segid "SH3 " and resid 30 and name HN ))
ASSI { 340}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 30 and name HN ))
3.800 1.800 1.800 peak 340 spectrum 1 weight 0.10000E+01 volume 0.43091E-03 ppm1 8.090 ppm2 0.654 CV 1
ASSI { 341}
( segid "SH3 " and resid 48 and name HG2%)
(( segid "SH3 " and resid 30 and name HN ))
3.700 1.700 1.700 peak 341 spectrum 1 weight 0.10000E+01 volume 0.31180E-03 ppm1 8.085 ppm2 0.156 CV 1
ASSI { 344}
(( segid "SH3 " and resid 60 and name HA ))
(( segid "SH3 " and resid 60 and name HN ))
3.000 1.100 1.100 peak 344 spectrum 1 weight 0.10000E+01 volume 0.15977E-02 ppm1 7.578 ppm2 4.699 CV 1
ASSI { 345}
(( segid "SH3 " and resid 59 and name HA ))
(( segid "SH3 " and resid 60 and name HN ))
3.500 1.600 1.600 peak 345 spectrum 1 weight 0.10000E+01 volume 0.62458E-03 ppm1 7.578 ppm2 3.983 CV 1
ASSI { 347}
(( segid "SH3 " and resid 61 and name HG12))
(( segid "SH3 " and resid 60 and name HN ))
4.100 2.200 1.900 peak 347 spectrum 1 weight 0.10000E+01 volume 0.28663E-03 ppm1 7.579 ppm2 1.168 CV 1
ASSI { 348}
(( segid "SH3 " and resid 57 and name HB1 ))
(( segid "SH3 " and resid 60 and name HN ))
4.100 2.100 1.900 peak 348 spectrum 1 weight 0.10000E+01 volume 0.83279E-03 ppm1 7.579 ppm2 0.904 CV 1
ASSI { 349}
(( segid "SH3 " and resid 59 and name HN ))
(( segid "SH3 " and resid 60 and name HN ))
2.900 1.000 1.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.17333E-02 ppm1 7.575 ppm2 8.273 CV 1
ASSI { 351}
(( segid "SH3 " and resid 60 and name HB1 ))
(( segid "SH3 " and resid 60 and name HN ))
3.600 1.600 1.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.16946E-02 ppm1 7.577 ppm2 3.437 CV 1
ASSI { 352}
(( segid "SH3 " and resid 60 and name HB2 ))
(( segid "SH3 " and resid 60 and name HN ))
2.400 0.700 0.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.45222E-02 ppm1 7.577 ppm2 3.063 CV 1
ASSI { 354}
(( segid "SH3 " and resid 59 and name HB2 ))
(( segid "SH3 " and resid 60 and name HN ))
3.400 1.400 1.400 peak 354 spectrum 1 weight 0.10000E+01 volume 0.11717E-02 ppm1 7.576 ppm2 1.806 CV 1
OR { 354}
(( segid "SH3 " and resid 59 and name HG2 ))
(( segid "SH3 " and resid 60 and name HN ))
ASSI { 355}
(( segid "SH3 " and resid 61 and name HG11))
(( segid "SH3 " and resid 60 and name HN ))
4.300 2.300 1.700 peak 355 spectrum 1 weight 0.10000E+01 volume 0.74465E-03 ppm1 7.575 ppm2 1.476 CV 1
ASSI { 356}
(( segid "SH3 " and resid 57 and name HB2 ))
(( segid "SH3 " and resid 60 and name HN ))
2.900 1.100 1.100 peak 356 spectrum 1 weight 0.10000E+01 volume 0.15106E-02 ppm1 7.576 ppm2 0.351 CV 1
ASSI { 358}
(( segid "SH3 " and resid 35 and name HA ))
(( segid "SH3 " and resid 37 and name HN ))
4.400 2.400 1.600 peak 358 spectrum 1 weight 0.10000E+01 volume 0.79116E-03 ppm1 8.507 ppm2 4.662 CV 1
ASSI { 359}
(( segid "SH3 " and resid 36 and name HA ))
(( segid "SH3 " and resid 37 and name HN ))
3.200 1.300 1.300 peak 359 spectrum 1 weight 0.10000E+01 volume 0.14816E-02 ppm1 8.507 ppm2 4.020 CV 1
ASSI { 360}
(( segid "SH3 " and resid 37 and name HB2 ))
(( segid "SH3 " and resid 37 and name HN ))
2.400 0.700 0.700 peak 360 spectrum 1 weight 0.10000E+01 volume 0.64782E-02 ppm1 8.508 ppm2 1.785 CV 1
OR { 360}
(( segid "SH3 " and resid 37 and name HB1 ))
(( segid "SH3 " and resid 37 and name HN ))
ASSI { 362}
(( segid "SH3 " and resid 37 and name HG2 ))
(( segid "SH3 " and resid 37 and name HN ))
2.700 0.900 0.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.26533E-02 ppm1 8.506 ppm2 1.387 CV 1
OR { 362}
(( segid "SH3 " and resid 37 and name HG1 ))
(( segid "SH3 " and resid 37 and name HN ))
ASSI { 364}
(( segid "SH3 " and resid 37 and name HA ))
(( segid "SH3 " and resid 37 and name HN ))
2.900 1.000 1.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.18689E-02 ppm1 8.500 ppm2 4.376 CV 1
ASSI { 366}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 32 and name HN ))
3.500 1.500 1.500 peak 366 spectrum 1 weight 0.10000E+01 volume 0.81728E-03 ppm1 9.411 ppm2 6.917 CV 1
ASSI { 367}
(( segid "SH3 " and resid 31 and name HA ))
(( segid "SH3 " and resid 32 and name HN ))
2.200 0.600 0.600 peak 367 spectrum 1 weight 0.10000E+01 volume 0.80368E-02 ppm1 9.407 ppm2 5.298 CV 1
ASSI { 369}
( segid "SH3 " and resid 48 and name HG2%)
(( segid "SH3 " and resid 32 and name HN ))
3.500 1.500 1.500 peak 369 spectrum 1 weight 0.10000E+01 volume 0.95576E-03 ppm1 9.406 ppm2 0.158 CV 1
ASSI { 371}
(( segid "SH3 " and resid 48 and name HN ))
(( segid "SH3 " and resid 32 and name HN ))
4.400 2.400 1.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.30503E-03 ppm1 9.407 ppm2 7.802 CV 1
ASSI { 372}
(( segid "SH3 " and resid 32 and name HA ))
(( segid "SH3 " and resid 32 and name HN ))
2.400 0.700 0.700 peak 372 spectrum 1 weight 0.10000E+01 volume 0.54808E-02 ppm1 9.407 ppm2 5.427 CV 1
ASSI { 373}
(( segid "SH3 " and resid 47 and name HA ))
(( segid "SH3 " and resid 32 and name HN ))
4.100 2.100 1.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.36506E-03 ppm1 9.405 ppm2 4.388 CV 1
ASSI { 374}
(( segid "SH3 " and resid 32 and name HB1 ))
(( segid "SH3 " and resid 32 and name HN ))
3.900 1.900 1.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.12588E-02 ppm1 9.406 ppm2 2.905 CV 1
ASSI { 375}
(( segid "SH3 " and resid 32 and name HB2 ))
(( segid "SH3 " and resid 32 and name HN ))
2.500 0.800 0.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.32826E-02 ppm1 9.406 ppm2 2.622 CV 1
ASSI { 376}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 32 and name HN ))
3.400 1.400 1.400 peak 376 spectrum 1 weight 0.10000E+01 volume 0.21110E-02 ppm1 9.406 ppm2 0.658 CV 1
ASSI { 377}
( segid "SH3 " and resid 31 and name HG2%)
(( segid "SH3 " and resid 32 and name HN ))
3.300 1.400 1.400 peak 377 spectrum 1 weight 0.10000E+01 volume 0.17430E-02 ppm1 9.405 ppm2 0.561 CV 1
ASSI { 379}
(( segid "SH3 " and resid 26 and name HA ))
(( segid "SH3 " and resid 14 and name HN ))
4.300 2.400 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.40477E-03 ppm1 7.604 ppm2 4.825 CV 1
ASSI { 380}
(( segid "SH3 " and resid 13 and name HA ))
(( segid "SH3 " and resid 14 and name HN ))
2.200 0.600 0.600 peak 380 spectrum 1 weight 0.10000E+01 volume 0.10651E-01 ppm1 7.603 ppm2 4.499 CV 1
ASSI { 381}
(( segid "SH3 " and resid 27 and name HB2 ))
(( segid "SH3 " and resid 14 and name HN ))
3.300 1.400 1.400 peak 381 spectrum 1 weight 0.10000E+01 volume 0.10651E-02 ppm1 7.602 ppm2 3.530 CV 1
OR { 381}
(( segid "SH3 " and resid 27 and name HB1 ))
(( segid "SH3 " and resid 14 and name HN ))
ASSI { 382}
(( segid "SH3 " and resid 14 and name HB1 ))
(( segid "SH3 " and resid 14 and name HN ))
3.200 1.300 1.300 peak 382 spectrum 1 weight 0.10000E+01 volume 0.18399E-02 ppm1 7.603 ppm2 2.623 CV 1
ASSI { 384}
(( segid "SH3 " and resid 13 and name HB2 ))
(( segid "SH3 " and resid 14 and name HN ))
3.900 1.900 1.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.98769E-03 ppm1 7.603 ppm2 1.191 CV 1
ASSI { 385}
(( segid "SH3 " and resid 27 and name HN ))
(( segid "SH3 " and resid 14 and name HN ))
3.700 1.700 1.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.70301E-03 ppm1 7.600 ppm2 8.651 CV 1
ASSI { 386}
(( segid "SH3 " and resid 13 and name HN ))
(( segid "SH3 " and resid 14 and name HN ))
4.100 2.100 1.900 peak 386 spectrum 1 weight 0.10000E+01 volume 0.58778E-03 ppm1 7.600 ppm2 6.638 CV 1
ASSI { 388}
(( segid "SH3 " and resid 48 and name HN ))
(( segid "SH3 " and resid 49 and name HN ))
2.700 0.900 0.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.23628E-02 ppm1 8.671 ppm2 7.791 CV 1
ASSI { 389}
(( segid "SH3 " and resid 50 and name HN ))
(( segid "SH3 " and resid 49 and name HN ))
3.300 1.400 1.400 peak 389 spectrum 1 weight 0.10000E+01 volume 0.90443E-03 ppm1 8.672 ppm2 7.603 CV 1
ASSI { 390}
(( segid "SH3 " and resid 47 and name HA ))
(( segid "SH3 " and resid 49 and name HN ))
3.400 1.500 1.500 peak 390 spectrum 1 weight 0.10000E+01 volume 0.16365E-02 ppm1 8.672 ppm2 4.369 CV 1
ASSI { 391}
(( segid "SH3 " and resid 48 and name HA ))
(( segid "SH3 " and resid 49 and name HN ))
3.400 1.400 1.400 peak 391 spectrum 1 weight 0.10000E+01 volume 0.10361E-02 ppm1 8.672 ppm2 3.378 CV 1
ASSI { 392}
(( segid "SH3 " and resid 49 and name HB1 ))
(( segid "SH3 " and resid 49 and name HN ))
2.600 0.800 0.800 peak 392 spectrum 1 weight 0.10000E+01 volume 0.43672E-02 ppm1 8.673 ppm2 2.685 CV 1
OR { 392}
(( segid "SH3 " and resid 49 and name HB2 ))
(( segid "SH3 " and resid 49 and name HN ))
ASSI { 393}
(( segid "SH3 " and resid 47 and name HB1 ))
(( segid "SH3 " and resid 49 and name HN ))
2.900 1.000 1.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.21304E-02 ppm1 8.671 ppm2 1.834 CV 1
OR { 393}
(( segid "SH3 " and resid 47 and name HB2 ))
(( segid "SH3 " and resid 49 and name HN ))
ASSI { 394}
(( segid "SH3 " and resid 48 and name HB ))
(( segid "SH3 " and resid 49 and name HN ))
2.600 0.900 0.900 peak 394 spectrum 1 weight 0.10000E+01 volume 0.38249E-02 ppm1 8.671 ppm2 1.648 CV 1
ASSI { 395}
( segid "SH3 " and resid 47 and name HD2%)
(( segid "SH3 " and resid 49 and name HN ))
4.200 2.200 1.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.39799E-03 ppm1 8.673 ppm2 1.012 CV 1
ASSI { 396}
( segid "SH3 " and resid 48 and name HG1%)
(( segid "SH3 " and resid 49 and name HN ))
3.400 1.500 1.500 peak 396 spectrum 1 weight 0.10000E+01 volume 0.14428E-02 ppm1 8.671 ppm2 0.614 CV 1
ASSI { 397}
( segid "SH3 " and resid 48 and name HG2%)
(( segid "SH3 " and resid 49 and name HN ))
4.100 2.100 1.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.86670E-03 ppm1 8.672 ppm2 0.160 CV 1
ASSI { 402}
(( segid "SH3 " and resid 53 and name HA ))
(( segid "SH3 " and resid 53 and name HN ))
3.000 1.100 1.100 peak 402 spectrum 1 weight 0.10000E+01 volume 0.15493E-02 ppm1 8.511 ppm2 5.835 CV 1
ASSI { 403}
(( segid "SH3 " and resid 52 and name HA ))
(( segid "SH3 " and resid 53 and name HN ))
2.100 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.12201E-01 ppm1 8.511 ppm2 4.292 CV 1
ASSI { 404}
(( segid "SH3 " and resid 54 and name HA2 ))
(( segid "SH3 " and resid 53 and name HN ))
3.800 1.800 1.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.25080E-03 ppm1 8.510 ppm2 3.910 CV 1
ASSI { 405}
(( segid "SH3 " and resid 53 and name HB1 ))
(( segid "SH3 " and resid 53 and name HN ))
3.000 1.100 1.100 peak 405 spectrum 1 weight 0.10000E+01 volume 0.14525E-02 ppm1 8.511 ppm2 3.798 CV 1
ASSI { 406}
(( segid "SH3 " and resid 53 and name HB2 ))
(( segid "SH3 " and resid 53 and name HN ))
3.600 1.600 1.600 peak 406 spectrum 1 weight 0.10000E+01 volume 0.12104E-02 ppm1 8.512 ppm2 3.649 CV 1
ASSI { 407}
(( segid "SH3 " and resid 46 and name HG1 ))
(( segid "SH3 " and resid 53 and name HN ))
3.700 1.700 1.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.42026E-03 ppm1 8.515 ppm2 2.067 CV 1
ASSI { 408}
(( segid "SH3 " and resid 52 and name HB1 ))
(( segid "SH3 " and resid 53 and name HN ))
3.100 1.200 1.200 peak 408 spectrum 1 weight 0.10000E+01 volume 0.21401E-02 ppm1 8.511 ppm2 1.822 CV 1
ASSI { 409}
(( segid "SH3 " and resid 52 and name HB2 ))
(( segid "SH3 " and resid 53 and name HN ))
3.500 1.500 1.500 peak 409 spectrum 1 weight 0.10000E+01 volume 0.15784E-02 ppm1 8.511 ppm2 1.671 CV 1
ASSI { 410}
(( segid "SH3 " and resid 52 and name HG2 ))
(( segid "SH3 " and resid 53 and name HN ))
4.200 2.200 1.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.91123E-03 ppm1 8.513 ppm2 1.455 CV 1
OR { 410}
(( segid "SH3 " and resid 52 and name HG1 ))
(( segid "SH3 " and resid 53 and name HN ))
ASSI { 411}
( segid "SH3 " and resid 23 and name HD1%)
(( segid "SH3 " and resid 53 and name HN ))
3.400 1.400 1.400 peak 411 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 8.513 ppm2 0.694 CV 1
OR { 411}
(( segid "SH3 " and resid 23 and name HB2 ))
(( segid "SH3 " and resid 53 and name HN ))
ASSI { 414}
(( segid "SH3 " and resid 28 and name HA1 ))
(( segid "SH3 " and resid 28 and name HN ))
3.000 1.100 1.100 peak 414 spectrum 1 weight 0.10000E+01 volume 0.26920E-02 ppm1 8.877 ppm2 4.379 CV 1
ASSI { 415}
(( segid "SH3 " and resid 12 and name HA ))
(( segid "SH3 " and resid 28 and name HN ))
3.500 1.600 1.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.66718E-03 ppm1 8.876 ppm2 4.135 CV 1
ASSI { 416}
(( segid "SH3 " and resid 27 and name HB1 ))
(( segid "SH3 " and resid 28 and name HN ))
2.900 1.100 1.100 peak 416 spectrum 1 weight 0.10000E+01 volume 0.36119E-02 ppm1 8.877 ppm2 3.527 CV 1
OR { 416}
(( segid "SH3 " and resid 27 and name HB2 ))
(( segid "SH3 " and resid 28 and name HN ))
ASSI { 417}
(( segid "SH3 " and resid 27 and name HA ))
(( segid "SH3 " and resid 28 and name HN ))
1.900 0.500 0.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.18205E-01 ppm1 8.878 ppm2 3.333 CV 1
ASSI { 418}
(( segid "SH3 " and resid 11 and name HB ))
(( segid "SH3 " and resid 28 and name HN ))
3.800 1.800 1.800 peak 418 spectrum 1 weight 0.10000E+01 volume 0.19076E-02 ppm1 8.877 ppm2 2.219 CV 1
ASSI { 419}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 28 and name HN ))
3.100 1.200 1.200 peak 419 spectrum 1 weight 0.10000E+01 volume 0.28373E-02 ppm1 8.877 ppm2 0.798 CV 1
ASSI { 420}
(( segid "SH3 " and resid 60 and name HA ))
(( segid "SH3 " and resid 13 and name HN ))
3.900 1.900 1.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.37378E-03 ppm1 6.643 ppm2 4.708 CV 1
ASSI { 421}
(( segid "SH3 " and resid 27 and name HA ))
(( segid "SH3 " and resid 13 and name HN ))
3.500 1.500 1.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.77275E-03 ppm1 6.643 ppm2 3.328 CV 1
ASSI { 422}
(( segid "SH3 " and resid 60 and name HB2 ))
(( segid "SH3 " and resid 13 and name HN ))
4.800 2.800 1.200 peak 422 spectrum 1 weight 0.10000E+01 volume 0.32246E-03 ppm1 6.642 ppm2 3.052 CV 1
ASSI { 423}
(( segid "SH3 " and resid 12 and name HB2 ))
(( segid "SH3 " and resid 13 and name HN ))
2.500 0.800 0.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.33311E-02 ppm1 6.642 ppm2 1.341 CV 1
ASSI { 426}
(( segid "SH3 " and resid 28 and name HN ))
(( segid "SH3 " and resid 27 and name HN ))
3.300 1.400 1.400 peak 426 spectrum 1 weight 0.10000E+01 volume 0.23724E-02 ppm1 8.649 ppm2 8.861 CV 1
ASSI { 429}
(( segid "SH3 " and resid 26 and name HA ))
(( segid "SH3 " and resid 27 and name HN ))
2.200 0.600 0.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.93445E-02 ppm1 8.649 ppm2 4.827 CV 1
ASSI { 430}
(( segid "SH3 " and resid 14 and name HA ))
(( segid "SH3 " and resid 27 and name HN ))
2.900 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.20916E-02 ppm1 8.649 ppm2 4.393 CV 1
ASSI { 431}
(( segid "SH3 " and resid 27 and name HB2 ))
(( segid "SH3 " and resid 27 and name HN ))
2.400 0.700 0.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.70398E-02 ppm1 8.649 ppm2 3.531 CV 1
OR { 431}
(( segid "SH3 " and resid 27 and name HB1 ))
(( segid "SH3 " and resid 27 and name HN ))
ASSI { 432}
(( segid "SH3 " and resid 27 and name HA ))
(( segid "SH3 " and resid 27 and name HN ))
2.600 0.800 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.38443E-02 ppm1 8.650 ppm2 3.327 CV 1
ASSI { 433}
(( segid "SH3 " and resid 14 and name HB1 ))
(( segid "SH3 " and resid 27 and name HN ))
4.100 2.100 1.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.36409E-03 ppm1 8.648 ppm2 2.631 CV 1
ASSI { 434}
(( segid "SH3 " and resid 14 and name HB2 ))
(( segid "SH3 " and resid 27 and name HN ))
4.100 2.100 1.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.33602E-03 ppm1 8.650 ppm2 2.274 CV 1
ASSI { 435}
(( segid "SH3 " and resid 26 and name HB1 ))
(( segid "SH3 " and resid 27 and name HN ))
2.800 1.000 1.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.32342E-02 ppm1 8.648 ppm2 1.629 CV 1
OR { 435}
(( segid "SH3 " and resid 26 and name HB2 ))
(( segid "SH3 " and resid 27 and name HN ))
ASSI { 436}
(( segid "SH3 " and resid 26 and name HG1 ))
(( segid "SH3 " and resid 27 and name HN ))
3.900 1.900 1.900 peak 436 spectrum 1 weight 0.10000E+01 volume 0.67977E-03 ppm1 8.650 ppm2 1.325 CV 1
OR { 436}
(( segid "SH3 " and resid 26 and name HG2 ))
(( segid "SH3 " and resid 27 and name HN ))
ASSI { 437}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 27 and name HN ))
3.500 1.600 1.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.86181E-03 ppm1 8.648 ppm2 0.822 CV 1
ASSI { 439}
(( segid "SH3 " and resid 20 and name HA ))
(( segid "SH3 " and resid 21 and name HN ))
3.300 1.400 1.400 peak 439 spectrum 1 weight 0.10000E+01 volume 0.10845E-02 ppm1 8.095 ppm2 4.186 CV 1
ASSI { 440}
(( segid "SH3 " and resid 19 and name HB1 ))
(( segid "SH3 " and resid 21 and name HN ))
3.400 1.500 1.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.10264E-02 ppm1 8.095 ppm2 3.935 CV 1
ASSI { 441}
(( segid "SH3 " and resid 19 and name HB2 ))
(( segid "SH3 " and resid 21 and name HN ))
3.600 1.700 1.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.53937E-03 ppm1 8.097 ppm2 3.643 CV 1
ASSI { 442}
(( segid "SH3 " and resid 21 and name HB1 ))
(( segid "SH3 " and resid 21 and name HN ))
3.300 1.400 1.400 peak 442 spectrum 1 weight 0.10000E+01 volume 0.22950E-02 ppm1 8.094 ppm2 2.648 CV 1
ASSI { 443}
(( segid "SH3 " and resid 21 and name HB2 ))
(( segid "SH3 " and resid 21 and name HN ))
2.600 0.900 0.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.32536E-02 ppm1 8.094 ppm2 2.520 CV 1
ASSI { 444}
(( segid "SH3 " and resid 20 and name HB1 ))
(( segid "SH3 " and resid 21 and name HN ))
3.300 1.400 1.400 peak 444 spectrum 1 weight 0.10000E+01 volume 0.15106E-02 ppm1 8.095 ppm2 2.401 CV 1
OR { 444}
(( segid "SH3 " and resid 20 and name HG1 ))
(( segid "SH3 " and resid 21 and name HN ))
OR { 444}
(( segid "SH3 " and resid 20 and name HG2 ))
(( segid "SH3 " and resid 21 and name HN ))
ASSI { 445}
(( segid "SH3 " and resid 20 and name HB2 ))
(( segid "SH3 " and resid 21 and name HN ))
3.000 1.100 1.100 peak 445 spectrum 1 weight 0.10000E+01 volume 0.17430E-02 ppm1 8.095 ppm2 2.107 CV 1
ASSI { 446}
(( segid "SH3 " and resid 20 and name HN ))
(( segid "SH3 " and resid 21 and name HN ))
3.400 1.500 1.500 peak 446 spectrum 1 weight 0.10000E+01 volume 0.72819E-03 ppm1 8.091 ppm2 8.664 CV 1
ASSI { 447}
(( segid "SH3 " and resid 21 and name HA ))
(( segid "SH3 " and resid 21 and name HN ))
3.000 1.100 1.100 peak 447 spectrum 1 weight 0.10000E+01 volume 0.21207E-02 ppm1 8.090 ppm2 4.641 CV 1
ASSI { 448}
(( segid "SH3 " and resid 12 and name HN ))
(( segid "SH3 " and resid 13 and name HN ))
2.400 0.700 0.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.48998E-02 ppm1 6.643 ppm2 9.300 CV 1
ASSI { 450}
(( segid "SH3 " and resid 13 and name HA ))
(( segid "SH3 " and resid 13 and name HN ))
2.900 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.19754E-02 ppm1 6.644 ppm2 4.498 CV 1
ASSI { 452}
(( segid "SH3 " and resid 60 and name HB1 ))
(( segid "SH3 " and resid 13 and name HN ))
2.900 1.100 1.100 peak 452 spectrum 1 weight 0.10000E+01 volume 0.18399E-02 ppm1 6.641 ppm2 3.432 CV 1
ASSI { 453}
(( segid "SH3 " and resid 13 and name HB1 ))
(( segid "SH3 " and resid 13 and name HN ))
3.900 1.900 1.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.11136E-02 ppm1 6.644 ppm2 2.255 CV 1
ASSI { 454}
(( segid "SH3 " and resid 12 and name HG1 ))
(( segid "SH3 " and resid 13 and name HN ))
5.000 3.100 1.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.35054E-03 ppm1 6.645 ppm2 2.070 CV 1
ASSI { 455}
(( segid "SH3 " and resid 12 and name HG2 ))
(( segid "SH3 " and resid 13 and name HN ))
4.700 2.700 1.300 peak 455 spectrum 1 weight 0.10000E+01 volume 0.31568E-03 ppm1 6.644 ppm2 1.919 CV 1
ASSI { 456}
(( segid "SH3 " and resid 13 and name HB2 ))
(( segid "SH3 " and resid 13 and name HN ))
2.700 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.21691E-02 ppm1 6.643 ppm2 1.193 CV 1
ASSI { 457}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 13 and name HN ))
2.400 0.700 0.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.66912E-02 ppm1 6.642 ppm2 0.819 CV 1
ASSI { 458}
(( segid "SH3 " and resid 35 and name HA ))
(( segid "SH3 " and resid 35 and name HN ))
2.900 1.100 1.100 peak 458 spectrum 1 weight 0.10000E+01 volume 0.16849E-02 ppm1 7.580 ppm2 4.662 CV 1
ASSI { 459}
(( segid "SH3 " and resid 43 and name HB1 ))
(( segid "SH3 " and resid 35 and name HN ))
4.100 2.100 1.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.47449E-03 ppm1 7.580 ppm2 2.897 CV 1
ASSI { 460}
(( segid "SH3 " and resid 34 and name HN ))
(( segid "SH3 " and resid 35 and name HN ))
2.400 0.700 0.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.50741E-02 ppm1 7.577 ppm2 8.729 CV 1
ASSI { 463}
(( segid "SH3 " and resid 45 and name HA ))
(( segid "SH3 " and resid 35 and name HN ))
4.400 2.400 1.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.34860E-03 ppm1 7.575 ppm2 5.557 CV 1
ASSI { 464}
(( segid "SH3 " and resid 43 and name HA ))
(( segid "SH3 " and resid 35 and name HN ))
4.500 2.500 1.500 peak 464 spectrum 1 weight 0.10000E+01 volume 0.33408E-03 ppm1 7.572 ppm2 5.449 CV 1
ASSI { 465}
(( segid "SH3 " and resid 34 and name HA ))
(( segid "SH3 " and resid 35 and name HN ))
3.100 1.200 1.200 peak 465 spectrum 1 weight 0.10000E+01 volume 0.19366E-02 ppm1 7.577 ppm2 4.223 CV 1
ASSI { 467}
(( segid "SH3 " and resid 35 and name HB2 ))
(( segid "SH3 " and resid 35 and name HN ))
2.800 1.000 1.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.18592E-02 ppm1 7.576 ppm2 2.557 CV 1
ASSI { 468}
(( segid "SH3 " and resid 44 and name HG1 ))
(( segid "SH3 " and resid 35 and name HN ))
2.500 0.800 0.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.53549E-02 ppm1 7.576 ppm2 2.165 CV 1
ASSI { 469}
(( segid "SH3 " and resid 34 and name HB1 ))
(( segid "SH3 " and resid 35 and name HN ))
3.100 1.200 1.200 peak 469 spectrum 1 weight 0.10000E+01 volume 0.41542E-02 ppm1 7.576 ppm2 1.460 CV 1
ASSI { 470}
(( segid "SH3 " and resid 34 and name HB2 ))
(( segid "SH3 " and resid 35 and name HN ))
2.300 0.700 0.700 peak 470 spectrum 1 weight 0.10000E+01 volume 0.46771E-02 ppm1 7.576 ppm2 1.352 CV 1
ASSI { 471}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 35 and name HN ))
4.200 2.300 1.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.73400E-03 ppm1 7.576 ppm2 0.809 CV 1
ASSI { 472}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 35 and name HN ))
4.400 2.400 1.600 peak 472 spectrum 1 weight 0.10000E+01 volume 0.58585E-03 ppm1 7.577 ppm2 0.697 CV 1
ASSI { 473}
( segid "SH3 " and resid 33 and name HG2%)
(( segid "SH3 " and resid 35 and name HN ))
3.000 1.100 1.100 peak 473 spectrum 1 weight 0.10000E+01 volume 0.15397E-02 ppm1 7.576 ppm2 0.325 CV 1
ASSI { 475}
(( segid "SH3 " and resid 39 and name HB2 ))
(( segid "SH3 " and resid 41 and name HN ))
4.500 2.600 1.500 peak 475 spectrum 1 weight 0.10000E+01 volume 0.25274E-03 ppm1 7.946 ppm2 3.990 CV 1
ASSI { 476}
(( segid "SH3 " and resid 40 and name HG1 ))
(( segid "SH3 " and resid 41 and name HN ))
3.900 1.900 1.900 peak 476 spectrum 1 weight 0.10000E+01 volume 0.49095E-03 ppm1 7.939 ppm2 1.440 CV 1
OR { 476}
(( segid "SH3 " and resid 40 and name HG2 ))
(( segid "SH3 " and resid 41 and name HN ))
ASSI { 478}
(( segid "SH3 " and resid 39 and name HA ))
(( segid "SH3 " and resid 41 and name HN ))
4.600 2.600 1.400 peak 478 spectrum 1 weight 0.10000E+01 volume 0.36506E-03 ppm1 7.935 ppm2 4.687 CV 1
ASSI { 479}
(( segid "SH3 " and resid 41 and name HB1 ))
(( segid "SH3 " and resid 41 and name HN ))
2.600 0.800 0.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.44640E-02 ppm1 7.940 ppm2 2.365 CV 1
OR { 479}
(( segid "SH3 " and resid 41 and name HB2 ))
(( segid "SH3 " and resid 41 and name HN ))
ASSI { 480}
(( segid "SH3 " and resid 40 and name HB2 ))
(( segid "SH3 " and resid 41 and name HN ))
3.300 1.400 1.400 peak 480 spectrum 1 weight 0.10000E+01 volume 0.12104E-02 ppm1 7.939 ppm2 1.765 CV 1
OR { 480}
(( segid "SH3 " and resid 40 and name HB1 ))
(( segid "SH3 " and resid 41 and name HN ))
ASSI { 482}
(( segid "SH3 " and resid 19 and name HA ))
(( segid "SH3 " and resid 19 and name HN ))
2.900 1.100 1.100 peak 482 spectrum 1 weight 0.10000E+01 volume 0.19754E-02 ppm1 7.419 ppm2 4.629 CV 1
ASSI { 483}
(( segid "SH3 " and resid 19 and name HB1 ))
(( segid "SH3 " and resid 19 and name HN ))
3.200 1.300 1.300 peak 483 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 7.423 ppm2 3.935 CV 1
ASSI { 484}
(( segid "SH3 " and resid 17 and name HA ))
(( segid "SH3 " and resid 19 and name HN ))
3.900 1.900 1.900 peak 484 spectrum 1 weight 0.10000E+01 volume 0.15106E-02 ppm1 7.422 ppm2 3.783 CV 1
ASSI { 485}
(( segid "SH3 " and resid 55 and name HA ))
(( segid "SH3 " and resid 56 and name HN ))
2.200 0.600 0.600 peak 485 spectrum 1 weight 0.10000E+01 volume 0.95286E-02 ppm1 8.916 ppm2 5.151 CV 1
ASSI { 487}
(( segid "SH3 " and resid 56 and name HA ))
(( segid "SH3 " and resid 56 and name HN ))
2.900 1.000 1.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.18302E-02 ppm1 8.914 ppm2 4.760 CV 1
ASSI { 488}
(( segid "SH3 " and resid 42 and name HB1 ))
(( segid "SH3 " and resid 56 and name HN ))
3.700 1.700 1.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.47158E-03 ppm1 8.918 ppm2 2.950 CV 1
ASSI { 490}
(( segid "SH3 " and resid 56 and name HB ))
(( segid "SH3 " and resid 56 and name HN ))
3.300 1.300 1.300 peak 490 spectrum 1 weight 0.10000E+01 volume 0.16752E-02 ppm1 8.916 ppm2 1.791 CV 1
ASSI { 491}
(( segid "SH3 " and resid 55 and name HB1 ))
(( segid "SH3 " and resid 56 and name HN ))
3.400 1.400 1.400 peak 491 spectrum 1 weight 0.10000E+01 volume 0.10071E-02 ppm1 8.916 ppm2 1.633 CV 1
ASSI { 492}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 56 and name HN ))
2.500 0.800 0.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.53549E-02 ppm1 8.916 ppm2 0.805 CV 1
ASSI { 494}
(( segid "SH3 " and resid 42 and name HE3 ))
(( segid "SH3 " and resid 56 and name HN ))
3.100 1.200 1.200 peak 494 spectrum 1 weight 0.10000E+01 volume 0.12685E-02 ppm1 8.914 ppm2 7.002 CV 1
ASSI { 495}
(( segid "SH3 " and resid 55 and name HB2 ))
(( segid "SH3 " and resid 56 and name HN ))
3.700 1.700 1.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.12298E-02 ppm1 8.915 ppm2 1.485 CV 1
ASSI { 496}
( segid "SH3 " and resid 56 and name HG1%)
(( segid "SH3 " and resid 56 and name HN ))
3.200 1.300 1.300 peak 496 spectrum 1 weight 0.10000E+01 volume 0.12201E-02 ppm1 8.915 ppm2 1.164 CV 1
ASSI { 500}
(( segid "SH3 " and resid 18 and name HA ))
(( segid "SH3 " and resid 19 and name HN ))
3.400 1.400 1.400 peak 500 spectrum 1 weight 0.10000E+01 volume 0.11717E-02 ppm1 7.422 ppm2 4.374 CV 1
ASSI { 501}
(( segid "SH3 " and resid 19 and name HB2 ))
(( segid "SH3 " and resid 19 and name HN ))
3.100 1.200 1.200 peak 501 spectrum 1 weight 0.10000E+01 volume 0.15880E-02 ppm1 7.421 ppm2 3.643 CV 1
ASSI { 503}
(( segid "SH3 " and resid 22 and name HB2 ))
(( segid "SH3 " and resid 19 and name HN ))
2.300 0.700 0.700 peak 503 spectrum 1 weight 0.10000E+01 volume 0.66138E-02 ppm1 7.423 ppm2 2.224 CV 1
OR { 503}
(( segid "SH3 " and resid 22 and name HG1 ))
(( segid "SH3 " and resid 19 and name HN ))
ASSI { 504}
(( segid "SH3 " and resid 18 and name HB2 ))
(( segid "SH3 " and resid 19 and name HN ))
3.500 1.500 1.500 peak 504 spectrum 1 weight 0.10000E+01 volume 0.12201E-02 ppm1 7.421 ppm2 1.881 CV 1
ASSI { 505}
( segid "SH3 " and resid 17 and name HB% )
(( segid "SH3 " and resid 19 and name HN ))
3.000 1.200 1.200 peak 505 spectrum 1 weight 0.10000E+01 volume 0.24015E-02 ppm1 7.422 ppm2 1.240 CV 1
ASSI { 506}
(( segid "SH3 " and resid 32 and name HN ))
(( segid "SH3 " and resid 31 and name HN ))
4.500 2.600 1.500 peak 506 spectrum 1 weight 0.10000E+01 volume 0.25371E-03 ppm1 8.368 ppm2 9.399 CV 1
ASSI { 507}
(( segid "SH3 " and resid 11 and name HN ))
(( segid "SH3 " and resid 31 and name HN ))
4.200 2.200 1.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.37087E-03 ppm1 8.366 ppm2 9.000 CV 1
ASSI { 510}
(( segid "SH3 " and resid 48 and name HN ))
(( segid "SH3 " and resid 31 and name HN ))
3.900 1.900 1.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.61586E-03 ppm1 8.368 ppm2 7.801 CV 1
ASSI { 511}
(( segid "SH3 " and resid 31 and name HA ))
(( segid "SH3 " and resid 31 and name HN ))
2.900 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.17430E-02 ppm1 8.368 ppm2 5.297 CV 1
ASSI { 512}
(( segid "SH3 " and resid 30 and name HA ))
(( segid "SH3 " and resid 31 and name HN ))
2.100 0.600 0.600 peak 512 spectrum 1 weight 0.10000E+01 volume 0.12201E-01 ppm1 8.370 ppm2 4.867 CV 1
ASSI { 513}
(( segid "SH3 " and resid 31 and name HB ))
(( segid "SH3 " and resid 31 and name HN ))
3.700 1.700 1.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.74659E-03 ppm1 8.370 ppm2 1.990 CV 1
ASSI { 514}
(( segid "SH3 " and resid 30 and name HB1 ))
(( segid "SH3 " and resid 31 and name HN ))
2.800 1.000 1.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.32633E-02 ppm1 8.368 ppm2 1.718 CV 1
OR { 514}
(( segid "SH3 " and resid 30 and name HB2 ))
(( segid "SH3 " and resid 31 and name HN ))
ASSI { 517}
( segid "SH3 " and resid 11 and name HG1%)
(( segid "SH3 " and resid 31 and name HN ))
4.000 2.000 2.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.56744E-03 ppm1 8.369 ppm2 0.911 CV 1
ASSI { 518}
( segid "SH3 " and resid 10 and name HG2%)
(( segid "SH3 " and resid 31 and name HN ))
3.900 1.900 1.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.82599E-03 ppm1 8.371 ppm2 0.785 CV 1
OR { 518}
( segid "SH3 " and resid 10 and name HD1%)
(( segid "SH3 " and resid 31 and name HN ))
ASSI { 519}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 31 and name HN ))
2.800 1.000 1.000 peak 519 spectrum 1 weight 0.10000E+01 volume 0.33795E-02 ppm1 8.369 ppm2 0.657 CV 1
ASSI { 520}
( segid "SH3 " and resid 31 and name HG2%)
(( segid "SH3 " and resid 31 and name HN ))
2.300 0.700 0.700 peak 520 spectrum 1 weight 0.10000E+01 volume 0.69720E-02 ppm1 8.370 ppm2 0.551 CV 1
ASSI { 521}
( segid "SH3 " and resid 48 and name HG2%)
(( segid "SH3 " and resid 31 and name HN ))
3.700 1.700 1.700 peak 521 spectrum 1 weight 0.10000E+01 volume 0.59262E-03 ppm1 8.370 ppm2 0.159 CV 1
ASSI { 524}
(( segid "SH3 " and resid 12 and name HG2 ))
(( segid "SH3 " and resid 12 and name HE21))
3.100 1.200 1.200 peak 524 spectrum 1 weight 0.10000E+01 volume 0.81048E-03 ppm1 6.687 ppm2 1.907 CV 1
ASSI { 525}
(( segid "SH3 " and resid 10 and name HB ))
(( segid "SH3 " and resid 12 and name HE21))
3.900 1.900 1.900 peak 525 spectrum 1 weight 0.10000E+01 volume 0.33989E-03 ppm1 6.686 ppm2 1.598 CV 1
ASSI { 526}
( segid "SH3 " and resid 10 and name HG2%)
(( segid "SH3 " and resid 12 and name HE21))
3.800 1.800 1.800 peak 526 spectrum 1 weight 0.10000E+01 volume 0.41057E-03 ppm1 6.685 ppm2 0.761 CV 1
ASSI { 528}
(( segid "SH3 " and resid 12 and name HE21))
(( segid "SH3 " and resid 12 and name HE22))
1.700 0.300 0.500 peak 528 spectrum 1 weight 0.10000E+01 volume 0.32439E-01 ppm1 6.538 ppm2 6.687 CV 1
ASSI { 530}
(( segid "SH3 " and resid 12 and name HG2 ))
(( segid "SH3 " and resid 12 and name HE22))
4.200 2.200 1.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.84730E-03 ppm1 6.537 ppm2 1.914 CV 1
ASSI { 531}
(( segid "SH3 " and resid 10 and name HB ))
(( segid "SH3 " and resid 12 and name HE22))
4.200 2.200 1.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.33311E-03 ppm1 6.537 ppm2 1.592 CV 1
ASSI { 532}
( segid "SH3 " and resid 10 and name HG2%)
(( segid "SH3 " and resid 12 and name HE22))
3.900 1.900 1.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.40767E-03 ppm1 6.537 ppm2 0.764 CV 1
ASSI { 534}
(( segid "SH3 " and resid 43 and name HN ))
(( segid "SH3 " and resid 58 and name HN ))
3.600 1.600 1.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.77955E-03 ppm1 7.241 ppm2 9.030 CV 1
ASSI { 535}
(( segid "SH3 " and resid 59 and name HN ))
(( segid "SH3 " and resid 58 and name HN ))
3.100 1.200 1.200 peak 535 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 7.241 ppm2 8.266 CV 1
ASSI { 537}
(( segid "SH3 " and resid 60 and name HN ))
(( segid "SH3 " and resid 58 and name HN ))
3.800 1.800 1.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.56260E-03 ppm1 7.244 ppm2 7.560 CV 1
ASSI { 538}
(( segid "SH3 " and resid 42 and name HA ))
(( segid "SH3 " and resid 58 and name HN ))
2.800 1.000 1.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.28856E-02 ppm1 7.242 ppm2 4.826 CV 1
ASSI { 539}
(( segid "SH3 " and resid 41 and name HA ))
(( segid "SH3 " and resid 58 and name HN ))
3.900 1.900 1.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.33408E-03 ppm1 7.238 ppm2 4.424 CV 1
ASSI { 540}
(( segid "SH3 " and resid 57 and name HA ))
(( segid "SH3 " and resid 58 and name HN ))
2.200 0.600 0.600 peak 540 spectrum 1 weight 0.10000E+01 volume 0.93055E-02 ppm1 7.242 ppm2 3.155 CV 1
ASSI { 541}
(( segid "SH3 " and resid 58 and name HA ))
(( segid "SH3 " and resid 58 and name HN ))
2.700 0.900 0.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.31471E-02 ppm1 7.242 ppm2 2.262 CV 1
ASSI { 542}
(( segid "SH3 " and resid 59 and name HG2 ))
(( segid "SH3 " and resid 58 and name HN ))
4.600 2.700 1.400 peak 542 spectrum 1 weight 0.10000E+01 volume 0.24693E-03 ppm1 7.239 ppm2 1.806 CV 1
OR { 542}
(( segid "SH3 " and resid 59 and name HB2 ))
(( segid "SH3 " and resid 58 and name HN ))
ASSI { 544}
(( segid "SH3 " and resid 57 and name HB2 ))
(( segid "SH3 " and resid 58 and name HN ))
3.700 1.700 1.700 peak 544 spectrum 1 weight 0.10000E+01 volume 0.61102E-03 ppm1 7.241 ppm2 0.352 CV 1
ASSI { 545}
( segid "SH3 " and resid 58 and name HB% )
(( segid "SH3 " and resid 58 and name HN ))
2.400 0.700 0.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.67590E-02 ppm1 7.241 ppm2 -0.257 CV 1
ASSI { 546}
(( segid "SH3 " and resid 20 and name HE22))
(( segid "SH3 " and resid 20 and name HE21))
2.200 0.600 0.600 peak 546 spectrum 1 weight 0.10000E+01 volume 0.77176E-02 ppm1 7.471 ppm2 6.725 CV 1
ASSI { 547}
(( segid "SH3 " and resid 59 and name HG2 ))
(( segid "SH3 " and resid 59 and name HE22))
4.500 2.600 1.500 peak 547 spectrum 1 weight 0.10000E+01 volume 0.34569E-03 ppm1 6.408 ppm2 1.810 CV 1
OR { 547}
(( segid "SH3 " and resid 59 and name HB2 ))
(( segid "SH3 " and resid 59 and name HE22))
ASSI { 548}
(( segid "SH3 " and resid 59 and name HE21))
(( segid "SH3 " and resid 59 and name HE22))
2.000 0.500 0.500 peak 548 spectrum 1 weight 0.10000E+01 volume 0.10651E-01 ppm1 6.405 ppm2 7.761 CV 1
ASSI { 549}
(( segid "SH3 " and resid 59 and name HG1 ))
(( segid "SH3 " and resid 59 and name HE22))
4.100 2.100 1.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.60134E-03 ppm1 6.404 ppm2 2.223 CV 1
ASSI { 554}
(( segid "SH3 " and resid 42 and name HZ2 ))
(( segid "SH3 " and resid 42 and name HE1 ))
3.300 1.300 1.300 peak 554 spectrum 1 weight 0.10000E+01 volume 0.10264E-02 ppm1 10.239 ppm2 7.118 CV 1
ASSI { 558}
(( segid "SH3 " and resid 42 and name HD1 ))
(( segid "SH3 " and resid 42 and name HE1 ))
3.100 1.200 1.200 peak 558 spectrum 1 weight 0.10000E+01 volume 0.12201E-02 ppm1 10.232 ppm2 6.982 CV 1
ASSI { 559}
(( segid "SH3 " and resid 41 and name HB2 ))
(( segid "SH3 " and resid 42 and name HE1 ))
4.500 2.500 1.500 peak 559 spectrum 1 weight 0.10000E+01 volume 0.33214E-03 ppm1 10.238 ppm2 2.372 CV 1
OR { 559}
(( segid "SH3 " and resid 41 and name HB1 ))
(( segid "SH3 " and resid 42 and name HE1 ))
ASSI { 560}
(( segid "SH3 " and resid 38 and name HN ))
(( segid "SH3 " and resid 39 and name HN ))
2.600 0.800 0.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.41154E-02 ppm1 8.025 ppm2 8.620 CV 1
ASSI { 562}
(( segid "SH3 " and resid 39 and name HA ))
(( segid "SH3 " and resid 39 and name HN ))
3.000 1.100 1.100 peak 562 spectrum 1 weight 0.10000E+01 volume 0.19366E-02 ppm1 8.027 ppm2 4.695 CV 1
ASSI { 563}
(( segid "SH3 " and resid 39 and name HB1 ))
(( segid "SH3 " and resid 39 and name HN ))
2.900 1.000 1.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.36991E-02 ppm1 8.025 ppm2 4.277 CV 1
ASSI { 565}
(( segid "SH3 " and resid 38 and name HB1 ))
(( segid "SH3 " and resid 39 and name HN ))
2.900 1.100 1.100 peak 565 spectrum 1 weight 0.10000E+01 volume 0.20625E-02 ppm1 8.025 ppm2 1.967 CV 1
ASSI { 566}
(( segid "SH3 " and resid 38 and name HB2 ))
(( segid "SH3 " and resid 39 and name HN ))
2.900 1.000 1.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.28179E-02 ppm1 8.024 ppm2 1.841 CV 1
ASSI { 567}
(( segid "SH3 " and resid 38 and name HG1 ))
(( segid "SH3 " and resid 39 and name HN ))
4.200 2.200 1.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.35345E-03 ppm1 8.027 ppm2 1.526 CV 1
ASSI { 568}
(( segid "SH3 " and resid 38 and name HG2 ))
(( segid "SH3 " and resid 39 and name HN ))
4.300 2.400 1.700 peak 568 spectrum 1 weight 0.10000E+01 volume 0.35828E-03 ppm1 8.023 ppm2 1.389 CV 1
ASSI { 570}
(( segid "SH3 " and resid 42 and name HN ))
(( segid "SH3 " and resid 39 and name HN ))
4.300 2.300 1.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.37765E-03 ppm1 8.020 ppm2 7.570 CV 1
ASSI { 571}
(( segid "SH3 " and resid 51 and name HN ))
(( segid "SH3 " and resid 50 and name HN ))
3.100 1.200 1.200 peak 571 spectrum 1 weight 0.10000E+01 volume 0.11814E-02 ppm1 7.605 ppm2 7.874 CV 1
ASSI { 572}
(( segid "SH3 " and resid 49 and name HB2 ))
(( segid "SH3 " and resid 50 and name HN ))
3.400 1.500 1.500 peak 572 spectrum 1 weight 0.10000E+01 volume 0.78917E-03 ppm1 7.601 ppm2 2.678 CV 1
OR { 572}
(( segid "SH3 " and resid 49 and name HB1 ))
(( segid "SH3 " and resid 50 and name HN ))
ASSI { 573}
(( segid "SH3 " and resid 47 and name HB1 ))
(( segid "SH3 " and resid 50 and name HN ))
3.400 1.500 1.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.76885E-03 ppm1 7.604 ppm2 1.836 CV 1
OR { 573}
(( segid "SH3 " and resid 47 and name HB2 ))
(( segid "SH3 " and resid 50 and name HN ))
ASSI { 575}
(( segid "SH3 " and resid 48 and name HN ))
(( segid "SH3 " and resid 47 and name HN ))
4.100 2.100 1.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.64588E-03 ppm1 8.954 ppm2 7.811 CV 1
ASSI { 577}
(( segid "SH3 " and resid 53 and name HA ))
(( segid "SH3 " and resid 47 and name HN ))
3.800 1.800 1.800 peak 577 spectrum 1 weight 0.10000E+01 volume 0.10845E-02 ppm1 8.955 ppm2 5.835 CV 1
ASSI { 578}
(( segid "SH3 " and resid 46 and name HA ))
(( segid "SH3 " and resid 47 and name HN ))
2.200 0.600 0.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.67106E-02 ppm1 8.955 ppm2 5.216 CV 1
ASSI { 579}
(( segid "SH3 " and resid 47 and name HA ))
(( segid "SH3 " and resid 47 and name HN ))
2.900 1.100 1.100 peak 579 spectrum 1 weight 0.10000E+01 volume 0.15977E-02 ppm1 8.955 ppm2 4.398 CV 1
ASSI { 580}
(( segid "SH3 " and resid 46 and name HG2 ))
(( segid "SH3 " and resid 47 and name HN ))
2.400 0.700 0.700 peak 580 spectrum 1 weight 0.10000E+01 volume 0.65169E-02 ppm1 8.956 ppm2 2.002 CV 1
OR { 580}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 47 and name HN ))
ASSI { 581}
(( segid "SH3 " and resid 47 and name HB2 ))
(( segid "SH3 " and resid 47 and name HN ))
2.300 0.600 0.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.72819E-02 ppm1 8.956 ppm2 1.840 CV 1
OR { 581}
(( segid "SH3 " and resid 47 and name HB1 ))
(( segid "SH3 " and resid 47 and name HN ))
ASSI { 582}
(( segid "SH3 " and resid 47 and name HG ))
(( segid "SH3 " and resid 47 and name HN ))
2.400 0.700 0.700 peak 582 spectrum 1 weight 0.10000E+01 volume 0.46480E-02 ppm1 8.956 ppm2 1.646 CV 1
ASSI { 583}
( segid "SH3 " and resid 47 and name HD1%)
(( segid "SH3 " and resid 47 and name HN ))
3.600 1.600 1.600 peak 583 spectrum 1 weight 0.10000E+01 volume 0.14525E-02 ppm1 8.954 ppm2 1.090 CV 1
ASSI { 585}
( segid "SH3 " and resid 23 and name HD2%)
(( segid "SH3 " and resid 47 and name HN ))
3.000 1.100 1.100 peak 585 spectrum 1 weight 0.10000E+01 volume 0.22853E-02 ppm1 8.955 ppm2 0.585 CV 1
ASSI { 588}
(( segid "SH3 " and resid 50 and name HB1 ))
(( segid "SH3 " and resid 50 and name HN ))
4.100 2.100 1.900 peak 588 spectrum 1 weight 0.10000E+01 volume 0.31762E-03 ppm1 7.605 ppm2 3.993 CV 1
ASSI { 589}
(( segid "SH3 " and resid 50 and name HB2 ))
(( segid "SH3 " and resid 50 and name HN ))
3.400 1.500 1.500 peak 589 spectrum 1 weight 0.10000E+01 volume 0.84050E-03 ppm1 7.603 ppm2 3.823 CV 1
ASSI { 591}
(( segid "SH3 " and resid 42 and name HN ))
(( segid "SH3 " and resid 43 and name HE1 ))
3.600 1.700 1.700 peak 591 spectrum 1 weight 0.10000E+01 volume 0.78535E-03 ppm1 9.614 ppm2 7.616 CV 1
ASSI { 592}
(( segid "SH3 " and resid 43 and name HZ2 ))
(( segid "SH3 " and resid 43 and name HE1 ))
3.000 1.100 1.100 peak 592 spectrum 1 weight 0.10000E+01 volume 0.20819E-02 ppm1 9.616 ppm2 7.482 CV 1
ASSI { 594}
(( segid "SH3 " and resid 43 and name HD1 ))
(( segid "SH3 " and resid 43 and name HE1 ))
2.700 0.900 0.900 peak 594 spectrum 1 weight 0.10000E+01 volume 0.32149E-02 ppm1 9.615 ppm2 7.242 CV 1
ASSI { 595}
(( segid "SH3 " and resid 40 and name HA ))
(( segid "SH3 " and resid 43 and name HE1 ))
3.000 1.100 1.100 peak 595 spectrum 1 weight 0.10000E+01 volume 0.18011E-02 ppm1 9.616 ppm2 4.367 CV 1
ASSI { 596}
(( segid "SH3 " and resid 36 and name HA ))
(( segid "SH3 " and resid 43 and name HE1 ))
3.600 1.600 1.600 peak 596 spectrum 1 weight 0.10000E+01 volume 0.72529E-03 ppm1 9.614 ppm2 4.024 CV 1
ASSI { 598}
(( segid "SH3 " and resid 36 and name HB2 ))
(( segid "SH3 " and resid 43 and name HE1 ))
3.700 1.700 1.700 peak 598 spectrum 1 weight 0.10000E+01 volume 0.57616E-03 ppm1 9.613 ppm2 0.663 CV 1
ASSI { 599}
( segid "SH3 " and resid 58 and name HB% )
(( segid "SH3 " and resid 43 and name HE1 ))
3.000 1.100 1.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.19173E-02 ppm1 9.615 ppm2 -0.258 CV 1
ASSI { 600}
(( segid "SH3 " and resid 12 and name HN ))
(( segid "SH3 " and resid 11 and name HN ))
4.100 2.100 1.900 peak 600 spectrum 1 weight 0.10000E+01 volume 0.57423E-03 ppm1 9.003 ppm2 9.289 CV 1
ASSI { 602}
(( segid "SH3 " and resid 29 and name HN ))
(( segid "SH3 " and resid 11 and name HN ))
4.100 2.100 1.900 peak 602 spectrum 1 weight 0.10000E+01 volume 0.72626E-03 ppm1 9.003 ppm2 8.470 CV 1
ASSI { 604}
(( segid "SH3 " and resid 10 and name HA ))
(( segid "SH3 " and resid 11 and name HN ))
2.100 0.500 0.500 peak 604 spectrum 1 weight 0.10000E+01 volume 0.10845E-01 ppm1 9.002 ppm2 4.873 CV 1
ASSI { 605}
(( segid "SH3 " and resid 11 and name HA ))
(( segid "SH3 " and resid 11 and name HN ))
2.900 1.100 1.100 peak 605 spectrum 1 weight 0.10000E+01 volume 0.15106E-02 ppm1 9.001 ppm2 4.079 CV 1
ASSI { 606}
(( segid "SH3 " and resid 29 and name HB1 ))
(( segid "SH3 " and resid 11 and name HN ))
4.600 2.600 1.400 peak 606 spectrum 1 weight 0.10000E+01 volume 0.45706E-03 ppm1 9.002 ppm2 2.761 CV 1
ASSI { 607}
(( segid "SH3 " and resid 11 and name HB ))
(( segid "SH3 " and resid 11 and name HN ))
2.300 0.700 0.700 peak 607 spectrum 1 weight 0.10000E+01 volume 0.72722E-02 ppm1 9.002 ppm2 2.224 CV 1
ASSI { 608}
(( segid "SH3 " and resid 10 and name HB ))
(( segid "SH3 " and resid 11 and name HN ))
3.700 1.700 1.700 peak 608 spectrum 1 weight 0.10000E+01 volume 0.95087E-03 ppm1 9.003 ppm2 1.597 CV 1
ASSI { 609}
(( segid "SH3 " and resid 10 and name HG11))
(( segid "SH3 " and resid 11 and name HN ))
4.500 2.600 1.500 peak 609 spectrum 1 weight 0.10000E+01 volume 0.45706E-03 ppm1 9.002 ppm2 1.391 CV 1
ASSI { 610}
( segid "SH3 " and resid 11 and name HG1%)
(( segid "SH3 " and resid 11 and name HN ))
2.200 0.600 0.600 peak 610 spectrum 1 weight 0.10000E+01 volume 0.74659E-02 ppm1 9.003 ppm2 0.914 CV 1
ASSI { 611}
( segid "SH3 " and resid 10 and name HG2%)
(( segid "SH3 " and resid 11 and name HN ))
2.400 0.700 0.700 peak 611 spectrum 1 weight 0.10000E+01 volume 0.77176E-02 ppm1 9.002 ppm2 0.773 CV 1
ASSI { 613}
(( segid "SH3 " and resid 43 and name HH2 ))
(( segid "SH3 " and resid 43 and name HE1 ))
3.600 1.600 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.15977E-02 ppm1 9.615 ppm2 7.097 CV 1
ASSI { 614}
(( segid "SH3 " and resid 43 and name HA ))
(( segid "SH3 " and resid 43 and name HE1 ))
5.200 3.400 0.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.26533E-03 ppm1 9.615 ppm2 5.443 CV 1
ASSI { 615}
(( segid "SH3 " and resid 59 and name HG2 ))
(( segid "SH3 " and resid 59 and name HN ))
4.500 2.500 1.500 peak 615 spectrum 1 weight 0.10000E+01 volume 0.14913E-03 ppm1 8.286 ppm2 1.808 CV 1
OR { 615}
(( segid "SH3 " and resid 59 and name HB2 ))
(( segid "SH3 " and resid 59 and name HN ))
ASSI { 616}
(( segid "SH3 " and resid 49 and name HN ))
(( segid "SH3 " and resid 51 and name HN ))
5.000 3.200 1.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.12491E-03 ppm1 7.875 ppm2 8.674 CV 1
ASSI { 619}
(( segid "SH3 " and resid 51 and name HA1 ))
(( segid "SH3 " and resid 51 and name HN ))
2.900 1.000 1.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.29534E-02 ppm1 7.872 ppm2 4.207 CV 1
ASSI { 621}
(( segid "SH3 " and resid 46 and name HG2 ))
(( segid "SH3 " and resid 51 and name HN ))
3.600 1.700 1.700 peak 621 spectrum 1 weight 0.10000E+01 volume 0.11330E-02 ppm1 7.871 ppm2 1.984 CV 1
ASSI { 622}
(( segid "SH3 " and resid 47 and name HB2 ))
(( segid "SH3 " and resid 51 and name HN ))
3.100 1.200 1.200 peak 622 spectrum 1 weight 0.10000E+01 volume 0.15687E-02 ppm1 7.873 ppm2 1.842 CV 1
OR { 622}
(( segid "SH3 " and resid 47 and name HB1 ))
(( segid "SH3 " and resid 51 and name HN ))
ASSI { 624}
(( segid "SH3 " and resid 46 and name HE22))
(( segid "SH3 " and resid 46 and name HE21))
1.800 0.400 0.400 peak 624 spectrum 1 weight 0.10000E+01 volume 0.19658E-01 ppm1 7.396 ppm2 6.647 CV 1
ASSI { 625}
(( segid "SH3 " and resid 51 and name HA2 ))
(( segid "SH3 " and resid 46 and name HE21))
3.900 1.900 1.900 peak 625 spectrum 1 weight 0.10000E+01 volume 0.32923E-03 ppm1 7.395 ppm2 3.829 CV 1
ASSI { 626}
(( segid "SH3 " and resid 46 and name HG2 ))
(( segid "SH3 " and resid 46 and name HE21))
2.900 1.000 1.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.18205E-02 ppm1 7.393 ppm2 2.029 CV 1
OR { 626}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 46 and name HE21))
ASSI { 627}
(( segid "SH3 " and resid 46 and name HG2 ))
(( segid "SH3 " and resid 46 and name HE22))
3.700 1.700 1.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.11717E-02 ppm1 6.647 ppm2 2.026 CV 1
OR { 627}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 46 and name HE22))
ASSI { 628}
(( segid "SH3 " and resid 33 and name HA ))
(( segid "SH3 " and resid 34 and name HN ))
2.200 0.600 0.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.84340E-02 ppm1 8.732 ppm2 4.309 CV 1
ASSI { 630}
(( segid "SH3 " and resid 34 and name HG ))
(( segid "SH3 " and resid 34 and name HN ))
2.500 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.64878E-02 ppm1 8.730 ppm2 1.454 CV 1
OR { 630}
(( segid "SH3 " and resid 34 and name HB1 ))
(( segid "SH3 " and resid 34 and name HN ))
ASSI { 631}
(( segid "SH3 " and resid 34 and name HB2 ))
(( segid "SH3 " and resid 34 and name HN ))
2.300 0.700 0.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.50547E-02 ppm1 8.729 ppm2 1.357 CV 1
ASSI { 632}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 34 and name HN ))
3.400 1.500 1.500 peak 632 spectrum 1 weight 0.10000E+01 volume 0.13170E-02 ppm1 8.731 ppm2 0.796 CV 1
ASSI { 633}
( segid "SH3 " and resid 33 and name HG2%)
(( segid "SH3 " and resid 34 and name HN ))
3.400 1.400 1.400 peak 633 spectrum 1 weight 0.10000E+01 volume 0.98769E-03 ppm1 8.731 ppm2 0.325 CV 1
ASSI { 636}
(( segid "SH3 " and resid 45 and name HA ))
(( segid "SH3 " and resid 34 and name HN ))
2.600 0.800 0.800 peak 636 spectrum 1 weight 0.10000E+01 volume 0.39218E-02 ppm1 8.730 ppm2 5.556 CV 1
ASSI { 638}
(( segid "SH3 " and resid 44 and name HG1 ))
(( segid "SH3 " and resid 34 and name HN ))
4.000 2.000 2.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.71173E-03 ppm1 8.730 ppm2 2.162 CV 1
ASSI { 639}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 34 and name HN ))
3.400 1.400 1.400 peak 639 spectrum 1 weight 0.10000E+01 volume 0.15397E-02 ppm1 8.730 ppm2 0.696 CV 1
ASSI { 642}
(( segid "SH3 " and resid 70 and name HA ))
(( segid "SH3 " and resid 71 and name HN ))
3.700 1.800 1.800 peak 642 spectrum 1 weight 0.10000E+01 volume 0.51709E-03 ppm1 7.890 ppm2 4.288 CV 1
ASSI { 644}
(( segid "SH3 " and resid 12 and name HN ))
(( segid "SH3 " and resid 62 and name HN ))
3.900 1.900 1.900 peak 644 spectrum 1 weight 0.10000E+01 volume 0.57519E-03 ppm1 8.727 ppm2 9.295 CV 1
ASSI { 647}
(( segid "SH3 " and resid 62 and name HA ))
(( segid "SH3 " and resid 62 and name HN ))
3.000 1.100 1.100 peak 647 spectrum 1 weight 0.10000E+01 volume 0.15784E-02 ppm1 8.723 ppm2 5.107 CV 1
ASSI { 648}
(( segid "SH3 " and resid 10 and name HA ))
(( segid "SH3 " and resid 62 and name HN ))
4.500 2.500 1.500 peak 648 spectrum 1 weight 0.10000E+01 volume 0.19851E-03 ppm1 8.720 ppm2 4.866 CV 1
ASSI { 649}
(( segid "SH3 " and resid 61 and name HA ))
(( segid "SH3 " and resid 62 and name HN ))
2.200 0.600 0.600 peak 649 spectrum 1 weight 0.10000E+01 volume 0.75530E-02 ppm1 8.723 ppm2 4.412 CV 1
ASSI { 650}
(( segid "SH3 " and resid 63 and name HD1 ))
(( segid "SH3 " and resid 62 and name HN ))
3.700 1.700 1.700 peak 650 spectrum 1 weight 0.10000E+01 volume 0.73400E-03 ppm1 8.724 ppm2 4.195 CV 1
ASSI { 651}
(( segid "SH3 " and resid 11 and name HA ))
(( segid "SH3 " and resid 62 and name HN ))
3.500 1.600 1.600 peak 651 spectrum 1 weight 0.10000E+01 volume 0.82889E-03 ppm1 8.722 ppm2 4.078 CV 1
ASSI { 653}
(( segid "SH3 " and resid 62 and name HB1 ))
(( segid "SH3 " and resid 62 and name HN ))
2.500 0.800 0.800 peak 653 spectrum 1 weight 0.10000E+01 volume 0.55970E-02 ppm1 8.723 ppm2 2.047 CV 1
ASSI { 654}
(( segid "SH3 " and resid 12 and name HG2 ))
(( segid "SH3 " and resid 62 and name HN ))
2.900 1.100 1.100 peak 654 spectrum 1 weight 0.10000E+01 volume 0.18979E-02 ppm1 8.724 ppm2 1.914 CV 1
ASSI { 655}
(( segid "SH3 " and resid 62 and name HB2 ))
(( segid "SH3 " and resid 62 and name HN ))
2.700 0.900 0.900 peak 655 spectrum 1 weight 0.10000E+01 volume 0.27985E-02 ppm1 8.724 ppm2 1.740 CV 1
ASSI { 656}
(( segid "SH3 " and resid 10 and name HB ))
(( segid "SH3 " and resid 62 and name HN ))
3.400 1.400 1.400 peak 656 spectrum 1 weight 0.10000E+01 volume 0.93544E-03 ppm1 8.724 ppm2 1.597 CV 1
ASSI { 658}
( segid "SH3 " and resid 61 and name HG2%)
(( segid "SH3 " and resid 62 and name HN ))
2.500 0.800 0.800 peak 658 spectrum 1 weight 0.10000E+01 volume 0.47158E-02 ppm1 8.724 ppm2 0.699 CV 1
ASSI { 661}
(( segid "SH3 " and resid 15 and name HA ))
(( segid "SH3 " and resid 16 and name HN ))
2.700 0.900 0.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.30890E-02 ppm1 8.017 ppm2 4.650 CV 1
ASSI { 662}
(( segid "SH3 " and resid 16 and name HB1 ))
(( segid "SH3 " and resid 16 and name HN ))
2.800 1.000 1.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.27113E-02 ppm1 8.019 ppm2 1.805 CV 1
OR { 662}
(( segid "SH3 " and resid 16 and name HB2 ))
(( segid "SH3 " and resid 16 and name HN ))
ASSI { 664}
(( segid "SH3 " and resid 65 and name HA ))
(( segid "SH3 " and resid 65 and name HN ))
3.800 1.800 1.800 peak 664 spectrum 1 weight 0.10000E+01 volume 0.45028E-03 ppm1 8.466 ppm2 4.396 CV 1
ASSI { 665}
(( segid "SH3 " and resid 64 and name HA ))
(( segid "SH3 " and resid 65 and name HN ))
2.500 0.800 0.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.51515E-02 ppm1 8.463 ppm2 4.035 CV 1
ASSI { 667}
(( segid "SH3 " and resid 65 and name HB2 ))
(( segid "SH3 " and resid 65 and name HN ))
2.600 0.900 0.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.35538E-02 ppm1 8.463 ppm2 1.711 CV 1
ASSI { 669}
( segid "SH3 " and resid 64 and name HG2%)
(( segid "SH3 " and resid 65 and name HN ))
3.300 1.300 1.300 peak 669 spectrum 1 weight 0.10000E+01 volume 0.12976E-02 ppm1 8.463 ppm2 0.860 CV 1
OR { 669}
( segid "SH3 " and resid 64 and name HG1%)
(( segid "SH3 " and resid 65 and name HN ))
ASSI { 671}
(( segid "SH3 " and resid 61 and name HA ))
(( segid "SH3 " and resid 12 and name HN ))
3.900 1.900 1.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.58778E-03 ppm1 9.303 ppm2 4.412 CV 1
ASSI { 672}
(( segid "SH3 " and resid 11 and name HA ))
(( segid "SH3 " and resid 12 and name HN ))
2.300 0.700 0.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.59456E-02 ppm1 9.304 ppm2 4.082 CV 1
ASSI { 673}
(( segid "SH3 " and resid 12 and name HG1 ))
(( segid "SH3 " and resid 12 and name HN ))
3.900 1.900 1.900 peak 673 spectrum 1 weight 0.10000E+01 volume 0.11039E-02 ppm1 9.302 ppm2 2.056 CV 1
ASSI { 674}
(( segid "SH3 " and resid 12 and name HG2 ))
(( segid "SH3 " and resid 12 and name HN ))
3.000 1.100 1.100 peak 674 spectrum 1 weight 0.10000E+01 volume 0.13073E-02 ppm1 9.303 ppm2 1.910 CV 1
ASSI { 675}
(( segid "SH3 " and resid 12 and name HB2 ))
(( segid "SH3 " and resid 12 and name HN ))
2.700 0.900 0.900 peak 675 spectrum 1 weight 0.10000E+01 volume 0.22659E-02 ppm1 9.302 ppm2 1.346 CV 1
ASSI { 676}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 12 and name HN ))
2.900 1.000 1.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.20142E-02 ppm1 9.302 ppm2 0.818 CV 1
ASSI { 678}
(( segid "SH3 " and resid 37 and name HG1 ))
(( segid "SH3 " and resid 36 and name HN ))
2.900 1.100 1.100 peak 678 spectrum 1 weight 0.10000E+01 volume 0.38540E-02 ppm1 8.077 ppm2 1.389 CV 1
ASSI { 679}
(( segid "SH3 " and resid 63 and name HA ))
(( segid "SH3 " and resid 64 and name HN ))
2.200 0.600 0.600 peak 679 spectrum 1 weight 0.10000E+01 volume 0.79207E-02 ppm1 8.273 ppm2 4.654 CV 1
ASSI { 680}
(( segid "SH3 " and resid 43 and name HE3 ))
(( segid "SH3 " and resid 60 and name HN ))
4.000 2.000 2.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.55873E-03 ppm1 7.578 ppm2 6.913 CV 1
ASSI { 681}
( segid "SH3 " and resid 60 and name HD% )
(( segid "SH3 " and resid 60 and name HN ))
3.300 1.400 1.400 peak 681 spectrum 1 weight 0.10000E+01 volume 0.81728E-03 ppm1 7.577 ppm2 6.782 CV 1
ASSI { 682}
(( segid "SH3 " and resid 13 and name HN ))
(( segid "SH3 " and resid 60 and name HN ))
4.000 2.000 2.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.64491E-03 ppm1 7.576 ppm2 6.659 CV 1
OR { 682}
( segid "SH3 " and resid 13 and name HE% )
(( segid "SH3 " and resid 60 and name HN ))
ASSI { 686}
(( segid "SH3 " and resid 12 and name HE22))
(( segid "SH3 " and resid 62 and name HN ))
5.100 3.300 0.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.19851E-03 ppm1 8.724 ppm2 6.543 CV 1
ASSI { 687}
(( segid "SH3 " and resid 9 and name HA1 ))
(( segid "SH3 " and resid 62 and name HN ))
4.100 2.100 1.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.41542E-03 ppm1 8.722 ppm2 4.993 CV 1
ASSI { 688}
(( segid "SH3 " and resid 63 and name HD2 ))
(( segid "SH3 " and resid 62 and name HN ))
5.700 4.100 0.300 peak 688 spectrum 1 weight 0.10000E+01 volume 0.98769E-04 ppm1 8.720 ppm2 3.823 CV 1
ASSI { 689}
(( segid "SH3 " and resid 9 and name HA2 ))
(( segid "SH3 " and resid 62 and name HN ))
5.000 3.100 1.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.17817E-03 ppm1 8.725 ppm2 3.272 CV 1
ASSI { 694}
(( segid "SH3 " and resid 11 and name HN ))
(( segid "SH3 " and resid 10 and name HN ))
3.600 1.600 1.600 peak 694 spectrum 1 weight 0.10000E+01 volume 0.93636E-03 ppm1 8.745 ppm2 8.973 CV 1
ASSI { 695}
(( segid "SH3 " and resid 31 and name HN ))
(( segid "SH3 " and resid 10 and name HN ))
4.300 2.300 1.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.28663E-03 ppm1 8.745 ppm2 8.375 CV 1
ASSI { 698}
(( segid "SH3 " and resid 53 and name HA ))
(( segid "SH3 " and resid 45 and name HN ))
4.800 2.900 1.200 peak 698 spectrum 1 weight 0.10000E+01 volume 0.18882E-03 ppm1 9.177 ppm2 5.838 CV 1
ASSI { 1}
(( segid "SH3 " and resid 44 and name HA ))
( segid "SH3 " and resid 44 and name HE% )
4.500 2.600 1.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.28576E-03 ppm1 2.087 ppm2 5.017 CV 1
ASSI { 2}
(( segid "SH3 " and resid 54 and name HA1 ))
( segid "SH3 " and resid 44 and name HE% )
4.000 2.000 2.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.49553E-03 ppm1 2.085 ppm2 4.041 CV 1
ASSI { 3}
(( segid "SH3 " and resid 54 and name HA2 ))
( segid "SH3 " and resid 44 and name HE% )
3.800 1.800 1.800 peak 3 spectrum 1 weight 0.10000E+01 volume 0.34853E-03 ppm1 2.086 ppm2 3.939 CV 1
ASSI { 4}
(( segid "SH3 " and resid 53 and name HB1 ))
( segid "SH3 " and resid 44 and name HE% )
4.100 2.100 1.900 peak 4 spectrum 1 weight 0.10000E+01 volume 0.48232E-03 ppm1 2.088 ppm2 3.807 CV 1
ASSI { 5}
(( segid "SH3 " and resid 53 and name HB2 ))
( segid "SH3 " and resid 44 and name HE% )
4.000 2.000 2.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.28741E-03 ppm1 2.088 ppm2 3.653 CV 1
ASSI { 6}
(( segid "SH3 " and resid 44 and name HB1 ))
( segid "SH3 " and resid 44 and name HE% )
3.100 1.200 1.200 peak 6 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 2.085 ppm2 2.730 CV 1
ASSI { 7}
(( segid "SH3 " and resid 34 and name HB1 ))
( segid "SH3 " and resid 44 and name HE% )
3.800 1.800 1.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.63759E-03 ppm1 2.087 ppm2 1.480 CV 1
OR { 7}
(( segid "SH3 " and resid 34 and name HG ))
( segid "SH3 " and resid 44 and name HE% )
ASSI { 8}
(( segid "SH3 " and resid 34 and name HB2 ))
( segid "SH3 " and resid 44 and name HE% )
3.700 1.700 1.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.65576E-03 ppm1 2.088 ppm2 1.373 CV 1
ASSI { 10}
( segid "SH3 " and resid 34 and name HD2%)
( segid "SH3 " and resid 44 and name HE% )
3.900 1.900 1.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.60290E-03 ppm1 2.087 ppm2 0.699 CV 1
ASSI { 11}
( segid "SH3 " and resid 55 and name HD2%)
( segid "SH3 " and resid 44 and name HE% )
3.100 1.200 1.200 peak 11 spectrum 1 weight 0.10000E+01 volume 0.97455E-03 ppm1 2.088 ppm2 0.619 CV 1
ASSI { 12}
( segid "SH3 " and resid 24 and name HG2%)
( segid "SH3 " and resid 16 and name HE% )
3.200 1.300 1.300 peak 12 spectrum 1 weight 0.10000E+01 volume 0.12999E-02 ppm1 2.027 ppm2 1.312 CV 1
ASSI { 17}
(( segid "SH3 " and resid 10 and name HB ))
( segid "SH3 " and resid 10 and name HG2%)
2.800 1.000 1.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.22465E-02 ppm1 0.767 ppm2 1.602 CV 1
ASSI { 18}
(( segid "SH3 " and resid 10 and name HG11))
( segid "SH3 " and resid 10 and name HG2%)
3.800 1.800 1.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.88037E-03 ppm1 0.764 ppm2 1.403 CV 1
ASSI { 22}
(( segid "SH3 " and resid 58 and name HA ))
( segid "SH3 " and resid 58 and name HB% )
2.400 0.700 0.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.58803E-02 ppm1 -0.242 ppm2 2.271 CV 1
ASSI { 24}
(( segid "SH3 " and resid 54 and name HA2 ))
(( segid "SH3 " and resid 23 and name HB1 ))
5.200 3.300 0.800 peak 24 spectrum 1 weight 0.10000E+01 volume 0.65906E-03 ppm1 1.659 ppm2 3.936 CV 1
ASSI { 25}
(( segid "SH3 " and resid 23 and name HG ))
(( segid "SH3 " and resid 23 and name HB2 ))
3.400 1.500 1.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.87212E-03 ppm1 0.659 ppm2 1.354 CV 1
ASSI { 28}
(( segid "SH3 " and resid 23 and name HB2 ))
(( segid "SH3 " and resid 23 and name HB1 ))
1.800 0.400 0.400 peak 28 spectrum 1 weight 0.10000E+01 volume 0.18995E-01 ppm1 1.652 ppm2 0.662 CV 1
ASSI { 29}
(( segid "SH3 " and resid 23 and name HA ))
(( segid "SH3 " and resid 23 and name HB2 ))
2.800 1.000 1.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.16683E-02 ppm1 0.662 ppm2 4.576 CV 1
ASSI { 30}
( segid "SH3 " and resid 56 and name HG1%)
(( segid "SH3 " and resid 23 and name HB2 ))
3.900 1.900 1.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.87709E-03 ppm1 0.664 ppm2 1.173 CV 1
ASSI { 31}
(( segid "SH3 " and resid 54 and name HA2 ))
(( segid "SH3 " and resid 23 and name HB2 ))
4.000 2.000 2.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.19656E-02 ppm1 0.661 ppm2 3.933 CV 1
ASSI { 33}
(( segid "SH3 " and resid 51 and name HA2 ))
(( segid "SH3 " and resid 51 and name HA1 ))
1.800 0.400 0.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.21308E-01 ppm1 4.209 ppm2 3.847 CV 1
ASSI { 34}
(( segid "SH3 " and resid 46 and name HG2 ))
(( segid "SH3 " and resid 51 and name HA1 ))
4.200 2.200 1.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.86716E-03 ppm1 4.211 ppm2 2.023 CV 1
ASSI { 35}
(( segid "SH3 " and resid 46 and name HG2 ))
(( segid "SH3 " and resid 51 and name HA2 ))
2.700 0.900 0.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.21143E-02 ppm1 3.851 ppm2 2.027 CV 1
ASSI { 36}
(( segid "SH3 " and resid 23 and name HB2 ))
(( segid "SH3 " and resid 54 and name HA1 ))
2.500 0.800 0.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.24281E-02 ppm1 4.032 ppm2 0.665 CV 1
ASSI { 38}
( segid "SH3 " and resid 61 and name HG2%)
(( segid "SH3 " and resid 9 and name HA1 ))
2.600 0.900 0.900 peak 38 spectrum 1 weight 0.10000E+01 volume 0.26429E-02 ppm1 5.015 ppm2 0.712 CV 1
ASSI { 40}
(( segid "SH3 " and resid 9 and name HA2 ))
(( segid "SH3 " and resid 9 and name HA1 ))
1.800 0.400 0.400 peak 40 spectrum 1 weight 0.10000E+01 volume 0.17674E-01 ppm1 5.013 ppm2 3.281 CV 1
ASSI { 41}
(( segid "SH3 " and resid 33 and name HG12))
(( segid "SH3 " and resid 9 and name HA1 ))
3.000 1.100 1.100 peak 41 spectrum 1 weight 0.10000E+01 volume 0.22959E-02 ppm1 5.012 ppm2 0.839 CV 1
ASSI { 42}
( segid "SH3 " and resid 31 and name HG2%)
(( segid "SH3 " and resid 9 and name HA1 ))
3.000 1.100 1.100 peak 42 spectrum 1 weight 0.10000E+01 volume 0.12058E-02 ppm1 5.013 ppm2 0.559 CV 1
ASSI { 43}
( segid "SH3 " and resid 31 and name HG2%)
(( segid "SH3 " and resid 9 and name HA2 ))
3.200 1.300 1.300 peak 43 spectrum 1 weight 0.10000E+01 volume 0.26263E-02 ppm1 3.282 ppm2 0.566 CV 1
ASSI { 45}
(( segid "SH3 " and resid 63 and name HA ))
(( segid "SH3 " and resid 9 and name HA2 ))
2.800 1.000 1.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.18170E-02 ppm1 3.277 ppm2 4.669 CV 1
ASSI { 47}
( segid "SH3 " and resid 61 and name HG2%)
(( segid "SH3 " and resid 9 and name HA2 ))
2.900 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.44103E-02 ppm1 3.279 ppm2 0.713 CV 1
ASSI { 49}
(( segid "SH3 " and resid 28 and name HA1 ))
(( segid "SH3 " and resid 28 and name HA2 ))
1.800 0.400 0.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.21638E-01 ppm1 3.400 ppm2 4.380 CV 1
ASSI { 50}
( segid "SH3 " and resid 10 and name HG2%)
(( segid "SH3 " and resid 28 and name HA2 ))
2.900 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.18830E-02 ppm1 3.400 ppm2 0.773 CV 1
ASSI { 51}
(( segid "SH3 " and resid 22 and name HA ))
(( segid "SH3 " and resid 55 and name HB1 ))
3.300 1.400 1.400 peak 51 spectrum 1 weight 0.10000E+01 volume 0.14123E-02 ppm1 1.645 ppm2 5.087 CV 1
ASSI { 53}
(( segid "SH3 " and resid 55 and name HA ))
(( segid "SH3 " and resid 55 and name HB1 ))
3.000 1.100 1.100 peak 53 spectrum 1 weight 0.10000E+01 volume 0.12719E-02 ppm1 1.642 ppm2 5.168 CV 1
ASSI { 57}
(( segid "SH3 " and resid 22 and name HA ))
(( segid "SH3 " and resid 55 and name HB2 ))
3.000 1.100 1.100 peak 57 spectrum 1 weight 0.10000E+01 volume 0.13859E-02 ppm1 1.493 ppm2 5.084 CV 1
ASSI { 58}
(( segid "SH3 " and resid 55 and name HG ))
(( segid "SH3 " and resid 55 and name HB2 ))
2.600 0.800 0.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.41625E-02 ppm1 1.496 ppm2 1.750 CV 1
ASSI { 59}
(( segid "SH3 " and resid 55 and name HB1 ))
(( segid "SH3 " and resid 55 and name HB2 ))
2.000 0.500 0.500 peak 59 spectrum 1 weight 0.10000E+01 volume 0.84409E-02 ppm1 1.496 ppm2 1.648 CV 1
ASSI { 63}
( segid "SH3 " and resid 10 and name HG2%)
(( segid "SH3 " and resid 28 and name HA1 ))
3.900 1.900 1.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.77802E-03 ppm1 4.387 ppm2 0.775 CV 1
ASSI { 64}
(( segid "SH3 " and resid 9 and name HA1 ))
( segid "SH3 " and resid 33 and name HD1%)
3.300 1.300 1.300 peak 64 spectrum 1 weight 0.10000E+01 volume 0.71026E-03 ppm1 0.640 ppm2 5.014 CV 1
ASSI { 67}
(( segid "SH3 " and resid 9 and name HA2 ))
( segid "SH3 " and resid 33 and name HD1%)
3.400 1.400 1.400 peak 67 spectrum 1 weight 0.10000E+01 volume 0.15295E-02 ppm1 0.641 ppm2 3.277 CV 1
ASSI { 70}
(( segid "SH3 " and resid 7 and name HB1 ))
( segid "SH3 " and resid 33 and name HD1%)
2.800 1.000 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 0.638 ppm2 1.810 CV 1
OR { 70}
(( segid "SH3 " and resid 7 and name HB2 ))
( segid "SH3 " and resid 33 and name HD1%)
ASSI { 71}
(( segid "SH3 " and resid 33 and name HB ))
( segid "SH3 " and resid 33 and name HD1%)
2.300 0.700 0.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.78130E-02 ppm1 0.640 ppm2 1.482 CV 1
ASSI { 72}
(( segid "SH3 " and resid 33 and name HG11))
( segid "SH3 " and resid 33 and name HD1%)
2.200 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.85562E-02 ppm1 0.641 ppm2 1.337 CV 1
ASSI { 73}
(( segid "SH3 " and resid 33 and name HG12))
( segid "SH3 " and resid 33 and name HD1%)
2.000 0.500 0.500 peak 73 spectrum 1 weight 0.10000E+01 volume 0.13825E-01 ppm1 0.638 ppm2 0.870 CV 1
ASSI { 74}
( segid "SH3 " and resid 33 and name HG2%)
( segid "SH3 " and resid 33 and name HD1%)
2.400 0.700 0.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.57647E-02 ppm1 0.638 ppm2 0.333 CV 1
ASSI { 76}
(( segid "SH3 " and resid 43 and name HZ3 ))
( segid "SH3 " and resid 33 and name HD1%)
2.600 0.800 0.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.38156E-02 ppm1 0.638 ppm2 -1.282 CV 1
ASSI { 78}
(( segid "SH3 " and resid 42 and name HD1 ))
(( segid "SH3 " and resid 41 and name HB1 ))
2.600 0.800 0.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.37661E-02 ppm1 2.385 ppm2 -1.011 CV 1
OR { 78}
(( segid "SH3 " and resid 42 and name HD1 ))
(( segid "SH3 " and resid 41 and name HB2 ))
ASSI { 80}
(( segid "SH3 " and resid 8 and name HB1 ))
(( segid "SH3 " and resid 8 and name HD1 ))
3.000 1.100 1.100 peak 80 spectrum 1 weight 0.10000E+01 volume 0.16848E-02 ppm1 3.218 ppm2 1.911 CV 1
ASSI { 81}
(( segid "SH3 " and resid 8 and name HG2 ))
(( segid "SH3 " and resid 8 and name HD1 ))
2.900 1.000 1.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.17509E-02 ppm1 3.220 ppm2 1.609 CV 1
ASSI { 82}
(( segid "SH3 " and resid 8 and name HG1 ))
(( segid "SH3 " and resid 8 and name HD1 ))
2.700 0.900 0.900 peak 82 spectrum 1 weight 0.10000E+01 volume 0.34853E-02 ppm1 3.215 ppm2 1.773 CV 1
OR { 82}
(( segid "SH3 " and resid 8 and name HB2 ))
(( segid "SH3 " and resid 8 and name HD1 ))
ASSI { 83}
(( segid "SH3 " and resid 8 and name HB1 ))
(( segid "SH3 " and resid 8 and name HD2 ))
2.900 1.000 1.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.22794E-02 ppm1 3.147 ppm2 1.910 CV 1
ASSI { 85}
(( segid "SH3 " and resid 65 and name HG2 ))
(( segid "SH3 " and resid 65 and name HD1 ))
2.400 0.700 0.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.57152E-02 ppm1 3.154 ppm2 1.603 CV 1
OR { 85}
(( segid "SH3 " and resid 65 and name HG1 ))
(( segid "SH3 " and resid 65 and name HD2 ))
OR { 85}
(( segid "SH3 " and resid 65 and name HG2 ))
(( segid "SH3 " and resid 65 and name HD2 ))
OR { 85}
(( segid "SH3 " and resid 65 and name HG1 ))
(( segid "SH3 " and resid 65 and name HD1 ))
ASSI { 87}
(( segid "SH3 " and resid 35 and name HB2 ))
(( segid "SH3 " and resid 35 and name HB1 ))
1.800 0.400 0.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.23125E-01 ppm1 2.760 ppm2 2.558 CV 1
ASSI { 88}
(( segid "SH3 " and resid 44 and name HG1 ))
(( segid "SH3 " and resid 35 and name HB1 ))
2.800 1.000 1.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.47075E-02 ppm1 2.757 ppm2 2.184 CV 1
ASSI { 91}
(( segid "SH3 " and resid 44 and name HG1 ))
(( segid "SH3 " and resid 35 and name HB2 ))
2.500 0.800 0.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.30062E-02 ppm1 2.561 ppm2 2.181 CV 1
ASSI { 92}
(( segid "SH3 " and resid 60 and name HB1 ))
( segid "SH3 " and resid 25 and name HD1%)
3.000 1.100 1.100 peak 92 spectrum 1 weight 0.10000E+01 volume 0.12306E-02 ppm1 1.005 ppm2 3.439 CV 1
ASSI { 93}
(( segid "SH3 " and resid 15 and name HB1 ))
( segid "SH3 " and resid 25 and name HD1%)
3.000 1.100 1.100 peak 93 spectrum 1 weight 0.10000E+01 volume 0.16105E-02 ppm1 1.005 ppm2 3.292 CV 1
ASSI { 94}
(( segid "SH3 " and resid 15 and name HB2 ))
( segid "SH3 " and resid 25 and name HD1%)
2.800 1.000 1.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.33696E-02 ppm1 1.004 ppm2 3.015 CV 1
ASSI { 95}
(( segid "SH3 " and resid 25 and name HB ))
( segid "SH3 " and resid 25 and name HD1%)
2.400 0.700 0.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.63924E-02 ppm1 1.004 ppm2 2.119 CV 1
ASSI { 96}
(( segid "SH3 " and resid 25 and name HG11))
( segid "SH3 " and resid 25 and name HD1%)
2.300 0.700 0.700 peak 96 spectrum 1 weight 0.10000E+01 volume 0.60290E-02 ppm1 1.005 ppm2 1.939 CV 1
ASSI { 97}
(( segid "SH3 " and resid 25 and name HG12))
( segid "SH3 " and resid 25 and name HD1%)
2.100 0.600 0.600 peak 97 spectrum 1 weight 0.10000E+01 volume 0.92498E-02 ppm1 1.004 ppm2 1.816 CV 1
ASSI { 98}
( segid "SH3 " and resid 61 and name HD1%)
( segid "SH3 " and resid 25 and name HD1%)
2.200 0.600 0.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.10324E-01 ppm1 1.006 ppm2 0.650 CV 1
ASSI { 99}
( segid "SH3 " and resid 15 and name HD% )
( segid "SH3 " and resid 25 and name HD1%)
3.800 1.800 1.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.62437E-03 ppm1 1.004 ppm2 -0.529 CV 1
ASSI { 100}
( segid "SH3 " and resid 60 and name HD% )
( segid "SH3 " and resid 25 and name HD1%)
3.200 1.300 1.300 peak 100 spectrum 1 weight 0.10000E+01 volume 0.75321E-03 ppm1 1.004 ppm2 -1.206 CV 1
ASSI { 103}
(( segid "SH3 " and resid 10 and name HB ))
( segid "SH3 " and resid 10 and name HD1%)
2.700 0.900 0.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.30889E-02 ppm1 0.794 ppm2 1.609 CV 1
ASSI { 104}
(( segid "SH3 " and resid 10 and name HG11))
( segid "SH3 " and resid 10 and name HD1%)
2.400 0.700 0.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.51866E-02 ppm1 0.793 ppm2 1.399 CV 1
ASSI { 105}
(( segid "SH3 " and resid 10 and name HG12))
( segid "SH3 " and resid 10 and name HD1%)
2.000 0.500 0.500 peak 105 spectrum 1 weight 0.10000E+01 volume 0.18500E-01 ppm1 0.792 ppm2 1.015 CV 1
ASSI { 107}
(( segid "SH3 " and resid 25 and name HG11))
(( segid "SH3 " and resid 25 and name HB ))
2.300 0.700 0.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.52692E-02 ppm1 2.125 ppm2 1.941 CV 1
ASSI { 108}
(( segid "SH3 " and resid 25 and name HG12))
(( segid "SH3 " and resid 25 and name HB ))
2.600 0.900 0.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.47241E-02 ppm1 2.125 ppm2 1.841 CV 1
ASSI { 110}
( segid "SH3 " and resid 25 and name HG2%)
(( segid "SH3 " and resid 25 and name HB ))
2.100 0.500 0.500 peak 110 spectrum 1 weight 0.10000E+01 volume 0.11909E-01 ppm1 2.124 ppm2 0.906 CV 1
ASSI { 111}
( segid "SH3 " and resid 47 and name HD2%)
(( segid "SH3 " and resid 47 and name HB1 ))
2.500 0.800 0.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.50214E-02 ppm1 1.853 ppm2 1.016 CV 1
OR { 111}
( segid "SH3 " and resid 47 and name HD2%)
(( segid "SH3 " and resid 47 and name HB2 ))
ASSI { 112}
(( segid "SH3 " and resid 47 and name HA ))
(( segid "SH3 " and resid 47 and name HB1 ))
2.600 0.900 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.30558E-02 ppm1 1.848 ppm2 4.404 CV 1
OR { 112}
(( segid "SH3 " and resid 47 and name HA ))
(( segid "SH3 " and resid 47 and name HB2 ))
ASSI { 116}
(( segid "SH3 " and resid 10 and name HG12))
(( segid "SH3 " and resid 30 and name HE2 ))
3.400 1.400 1.400 peak 116 spectrum 1 weight 0.10000E+01 volume 0.75156E-03 ppm1 2.950 ppm2 1.006 CV 1
OR { 116}
(( segid "SH3 " and resid 10 and name HG12))
(( segid "SH3 " and resid 30 and name HE1 ))
ASSI { 117}
( segid "SH3 " and resid 10 and name HD1%)
(( segid "SH3 " and resid 30 and name HE2 ))
3.000 1.100 1.100 peak 117 spectrum 1 weight 0.10000E+01 volume 0.15940E-02 ppm1 2.950 ppm2 0.795 CV 1
OR { 117}
( segid "SH3 " and resid 10 and name HD1%)
(( segid "SH3 " and resid 30 and name HE1 ))
ASSI { 121}
(( segid "SH3 " and resid 25 and name HG11))
(( segid "SH3 " and resid 15 and name HB1 ))
3.000 1.100 1.100 peak 121 spectrum 1 weight 0.10000E+01 volume 0.12471E-02 ppm1 3.288 ppm2 1.933 CV 1
ASSI { 122}
(( segid "SH3 " and resid 25 and name HG12))
(( segid "SH3 " and resid 15 and name HB1 ))
2.900 1.100 1.100 peak 122 spectrum 1 weight 0.10000E+01 volume 0.10538E-02 ppm1 3.290 ppm2 1.831 CV 1
ASSI { 124}
( segid "SH3 " and resid 15 and name HD% )
(( segid "SH3 " and resid 15 and name HB1 ))
2.700 0.900 0.900 peak 124 spectrum 1 weight 0.10000E+01 volume 0.23620E-02 ppm1 3.288 ppm2 -0.531 CV 1
ASSI { 125}
( segid "SH3 " and resid 60 and name HE% )
(( segid "SH3 " and resid 15 and name HB1 ))
3.300 1.400 1.400 peak 125 spectrum 1 weight 0.10000E+01 volume 0.63924E-03 ppm1 3.291 ppm2 -0.960 CV 1
ASSI { 128}
(( segid "SH3 " and resid 15 and name HB1 ))
(( segid "SH3 " and resid 15 and name HB2 ))
2.000 0.500 0.500 peak 128 spectrum 1 weight 0.10000E+01 volume 0.10473E-01 ppm1 3.006 ppm2 3.288 CV 1
ASSI { 129}
(( segid "SH3 " and resid 25 and name HG11))
(( segid "SH3 " and resid 15 and name HB2 ))
3.000 1.100 1.100 peak 129 spectrum 1 weight 0.10000E+01 volume 0.34522E-02 ppm1 3.008 ppm2 1.937 CV 1
ASSI { 130}
(( segid "SH3 " and resid 25 and name HG12))
(( segid "SH3 " and resid 15 and name HB2 ))
3.300 1.400 1.400 peak 130 spectrum 1 weight 0.10000E+01 volume 0.37496E-02 ppm1 3.010 ppm2 1.830 CV 1
ASSI { 132}
( segid "SH3 " and resid 15 and name HD% )
(( segid "SH3 " and resid 15 and name HB2 ))
2.700 0.900 0.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.27254E-02 ppm1 3.008 ppm2 -0.536 CV 1
ASSI { 133}
(( segid "SH3 " and resid 29 and name HB2 ))
(( segid "SH3 " and resid 29 and name HB1 ))
1.800 0.400 0.400 peak 133 spectrum 1 weight 0.10000E+01 volume 0.23786E-01 ppm1 2.773 ppm2 2.314 CV 1
ASSI { 134}
( segid "SH3 " and resid 47 and name HD2%)
(( segid "SH3 " and resid 29 and name HB1 ))
2.700 0.900 0.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.25107E-02 ppm1 2.774 ppm2 1.014 CV 1
ASSI { 135}
( segid "SH3 " and resid 11 and name HG1%)
(( segid "SH3 " and resid 29 and name HB1 ))
3.000 1.200 1.200 peak 135 spectrum 1 weight 0.10000E+01 volume 0.46745E-02 ppm1 2.775 ppm2 0.924 CV 1
ASSI { 139}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 6 and name HE2 ))
3.500 1.500 1.500 peak 139 spectrum 1 weight 0.10000E+01 volume 0.43277E-03 ppm1 2.584 ppm2 0.710 CV 1
OR { 139}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 6 and name HE1 ))
ASSI { 142}
( segid "SH3 " and resid 11 and name HG1%)
(( segid "SH3 " and resid 29 and name HB2 ))
2.500 0.800 0.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.36835E-02 ppm1 2.315 ppm2 0.925 CV 1
ASSI { 143}
(( segid "SH3 " and resid 34 and name HA ))
(( segid "SH3 " and resid 34 and name HB1 ))
2.900 1.100 1.100 peak 143 spectrum 1 weight 0.10000E+01 volume 0.16006E-02 ppm1 1.478 ppm2 4.223 CV 1
ASSI { 144}
(( segid "SH3 " and resid 34 and name HB2 ))
(( segid "SH3 " and resid 34 and name HB1 ))
1.600 0.300 0.600 peak 144 spectrum 1 weight 0.10000E+01 volume 0.33366E-01 ppm1 1.476 ppm2 1.370 CV 1
ASSI { 145}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 34 and name HB1 ))
2.900 1.000 1.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.22630E-02 ppm1 1.479 ppm2 0.804 CV 1
ASSI { 146}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 34 and name HB1 ))
2.800 0.900 0.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.23951E-02 ppm1 1.483 ppm2 0.706 CV 1
ASSI { 147}
(( segid "SH3 " and resid 44 and name HB2 ))
(( segid "SH3 " and resid 34 and name HB1 ))
4.200 2.200 1.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.99930E-03 ppm1 1.471 ppm2 2.273 CV 1
ASSI { 148}
(( segid "SH3 " and resid 34 and name HA ))
(( segid "SH3 " and resid 34 and name HB2 ))
3.300 1.400 1.400 peak 148 spectrum 1 weight 0.10000E+01 volume 0.12488E-02 ppm1 1.367 ppm2 4.223 CV 1
ASSI { 149}
(( segid "SH3 " and resid 44 and name HB2 ))
(( segid "SH3 " and resid 34 and name HB2 ))
2.700 0.900 0.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.13859E-02 ppm1 1.367 ppm2 2.276 CV 1
ASSI { 152}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 34 and name HB2 ))
3.300 1.400 1.400 peak 152 spectrum 1 weight 0.10000E+01 volume 0.16501E-02 ppm1 1.372 ppm2 0.713 CV 1
ASSI { 153}
(( segid "SH3 " and resid 61 and name HA ))
( segid "SH3 " and resid 61 and name HD1%)
2.400 0.700 0.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.40468E-02 ppm1 0.644 ppm2 4.421 CV 1
ASSI { 155}
(( segid "SH3 " and resid 60 and name HB2 ))
( segid "SH3 " and resid 61 and name HD1%)
3.700 1.700 1.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.65080E-03 ppm1 0.645 ppm2 3.076 CV 1
ASSI { 156}
(( segid "SH3 " and resid 61 and name HB ))
( segid "SH3 " and resid 61 and name HD1%)
3.300 1.400 1.400 peak 156 spectrum 1 weight 0.10000E+01 volume 0.18170E-02 ppm1 0.646 ppm2 2.276 CV 1
ASSI { 158}
(( segid "SH3 " and resid 61 and name HG11))
( segid "SH3 " and resid 61 and name HD1%)
2.400 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.45093E-02 ppm1 0.646 ppm2 1.496 CV 1
ASSI { 159}
(( segid "SH3 " and resid 61 and name HG12))
( segid "SH3 " and resid 61 and name HD1%)
2.400 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.50875E-02 ppm1 0.645 ppm2 1.191 CV 1
ASSI { 161}
( segid "SH3 " and resid 11 and name HG1%)
( segid "SH3 " and resid 61 and name HD1%)
2.700 0.900 0.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.71687E-02 ppm1 0.645 ppm2 0.926 CV 1
ASSI { 162}
(( segid "SH3 " and resid 7 and name HG2 ))
(( segid "SH3 " and resid 7 and name HE1 ))
3.100 1.200 1.200 peak 162 spectrum 1 weight 0.10000E+01 volume 0.14305E-02 ppm1 2.804 ppm2 1.392 CV 1
OR { 162}
(( segid "SH3 " and resid 7 and name HG2 ))
(( segid "SH3 " and resid 7 and name HE2 ))
ASSI { 163}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 29 and name HB1 ))
3.400 1.400 1.400 peak 163 spectrum 1 weight 0.10000E+01 volume 0.76147E-03 ppm1 2.799 ppm2 0.648 CV 1
ASSI { 164}
(( segid "SH3 " and resid 7 and name HB2 ))
(( segid "SH3 " and resid 7 and name HE1 ))
3.200 1.300 1.300 peak 164 spectrum 1 weight 0.10000E+01 volume 0.16683E-02 ppm1 2.797 ppm2 1.801 CV 1
OR { 164}
(( segid "SH3 " and resid 7 and name HB2 ))
(( segid "SH3 " and resid 7 and name HE2 ))
OR { 164}
(( segid "SH3 " and resid 7 and name HB1 ))
(( segid "SH3 " and resid 7 and name HE2 ))
OR { 164}
(( segid "SH3 " and resid 7 and name HB1 ))
(( segid "SH3 " and resid 7 and name HE1 ))
ASSI { 165}
(( segid "SH3 " and resid 7 and name HG1 ))
(( segid "SH3 " and resid 7 and name HE2 ))
2.800 1.000 1.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.31219E-02 ppm1 2.792 ppm2 1.489 CV 1
OR { 165}
(( segid "SH3 " and resid 7 and name HG1 ))
(( segid "SH3 " and resid 7 and name HE1 ))
ASSI { 166}
(( segid "SH3 " and resid 14 and name HA ))
(( segid "SH3 " and resid 14 and name HB1 ))
2.700 0.900 0.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.27254E-02 ppm1 2.631 ppm2 4.401 CV 1
ASSI { 167}
(( segid "SH3 " and resid 14 and name HB2 ))
(( segid "SH3 " and resid 14 and name HB1 ))
1.800 0.400 0.400 peak 167 spectrum 1 weight 0.10000E+01 volume 0.20317E-01 ppm1 2.631 ppm2 2.304 CV 1
ASSI { 169}
(( segid "SH3 " and resid 14 and name HA ))
(( segid "SH3 " and resid 14 and name HB2 ))
3.000 1.100 1.100 peak 169 spectrum 1 weight 0.10000E+01 volume 0.20482E-02 ppm1 2.299 ppm2 4.401 CV 1
ASSI { 171}
(( segid "SH3 " and resid 13 and name HB2 ))
(( segid "SH3 " and resid 13 and name HB1 ))
1.900 0.500 0.500 peak 171 spectrum 1 weight 0.10000E+01 volume 0.13313E-01 ppm1 2.272 ppm2 1.196 CV 1
ASSI { 173}
( segid "SH3 " and resid 13 and name HD% )
(( segid "SH3 " and resid 13 and name HB2 ))
3.100 1.200 1.200 peak 173 spectrum 1 weight 0.10000E+01 volume 0.12190E-02 ppm1 1.195 ppm2 -1.473 CV 1
ASSI { 175}
(( segid "SH3 " and resid 21 and name HA ))
(( segid "SH3 " and resid 21 and name HB1 ))
2.700 0.900 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.28080E-02 ppm1 2.660 ppm2 4.631 CV 1
ASSI { 176}
( segid "SH3 " and resid 55 and name HD2%)
(( segid "SH3 " and resid 21 and name HB1 ))
3.100 1.200 1.200 peak 176 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 2.659 ppm2 0.629 CV 1
ASSI { 177}
(( segid "SH3 " and resid 21 and name HA ))
(( segid "SH3 " and resid 21 and name HB2 ))
3.200 1.200 1.200 peak 177 spectrum 1 weight 0.10000E+01 volume 0.19326E-02 ppm1 2.532 ppm2 4.632 CV 1
ASSI { 178}
(( segid "SH3 " and resid 21 and name HB1 ))
(( segid "SH3 " and resid 21 and name HB2 ))
1.400 0.200 0.800 peak 178 spectrum 1 weight 0.10000E+01 volume 0.96790E-01 ppm1 2.530 ppm2 2.663 CV 1
ASSI { 179}
( segid "SH3 " and resid 55 and name HD2%)
(( segid "SH3 " and resid 21 and name HB2 ))
3.200 1.200 1.200 peak 179 spectrum 1 weight 0.10000E+01 volume 0.77138E-03 ppm1 2.531 ppm2 0.621 CV 1
ASSI { 181}
(( segid "SH3 " and resid 62 and name HB1 ))
(( segid "SH3 " and resid 10 and name HB ))
3.200 1.300 1.300 peak 181 spectrum 1 weight 0.10000E+01 volume 0.96630E-03 ppm1 1.606 ppm2 2.049 CV 1
ASSI { 183}
(( segid "SH3 " and resid 10 and name HG12))
(( segid "SH3 " and resid 10 and name HB ))
3.200 1.200 1.200 peak 183 spectrum 1 weight 0.10000E+01 volume 0.16402E-02 ppm1 1.604 ppm2 1.020 CV 1
ASSI { 184}
( segid "SH3 " and resid 10 and name HG2%)
(( segid "SH3 " and resid 10 and name HB ))
2.400 0.700 0.700 peak 184 spectrum 1 weight 0.10000E+01 volume 0.55665E-02 ppm1 1.606 ppm2 0.776 CV 1
OR { 184}
( segid "SH3 " and resid 10 and name HD1%)
(( segid "SH3 " and resid 10 and name HB ))
ASSI { 186}
(( segid "SH3 " and resid 32 and name HA ))
(( segid "SH3 " and resid 32 and name HB1 ))
2.800 1.000 1.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.19491E-02 ppm1 2.916 ppm2 5.445 CV 1
ASSI { 187}
(( segid "SH3 " and resid 32 and name HB2 ))
(( segid "SH3 " and resid 32 and name HB1 ))
1.800 0.400 0.400 peak 187 spectrum 1 weight 0.10000E+01 volume 0.17178E-01 ppm1 2.914 ppm2 2.635 CV 1
ASSI { 188}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 32 and name HB1 ))
3.600 1.600 1.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.16006E-02 ppm1 2.916 ppm2 1.994 CV 1
ASSI { 189}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 32 and name HB1 ))
3.200 1.300 1.300 peak 189 spectrum 1 weight 0.10000E+01 volume 0.10902E-02 ppm1 2.917 ppm2 0.707 CV 1
ASSI { 190}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 32 and name HB1 ))
3.100 1.200 1.200 peak 190 spectrum 1 weight 0.10000E+01 volume 0.15048E-02 ppm1 2.914 ppm2 -1.067 CV 1
ASSI { 191}
(( segid "SH3 " and resid 49 and name HA ))
(( segid "SH3 " and resid 49 and name HB1 ))
2.400 0.700 0.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.67393E-02 ppm1 2.690 ppm2 4.473 CV 1
OR { 191}
(( segid "SH3 " and resid 49 and name HA ))
(( segid "SH3 " and resid 49 and name HB2 ))
ASSI { 194}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 32 and name HB2 ))
2.400 0.700 0.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.39973E-02 ppm1 2.635 ppm2 1.995 CV 1
ASSI { 197}
(( segid "SH3 " and resid 24 and name HA ))
(( segid "SH3 " and resid 24 and name HB ))
3.200 1.300 1.300 peak 197 spectrum 1 weight 0.10000E+01 volume 0.11695E-02 ppm1 4.052 ppm2 4.905 CV 1
ASSI { 198}
( segid "SH3 " and resid 24 and name HG2%)
(( segid "SH3 " and resid 24 and name HB ))
2.300 0.600 0.600 peak 198 spectrum 1 weight 0.10000E+01 volume 0.84898E-02 ppm1 4.052 ppm2 1.308 CV 1
ASSI { 200}
(( segid "SH3 " and resid 36 and name HB2 ))
(( segid "SH3 " and resid 36 and name HB1 ))
1.900 0.400 0.400 peak 200 spectrum 1 weight 0.10000E+01 volume 0.17509E-01 ppm1 1.740 ppm2 0.681 CV 1
ASSI { 201}
( segid "SH3 " and resid 33 and name HG2%)
(( segid "SH3 " and resid 36 and name HB1 ))
2.900 1.100 1.100 peak 201 spectrum 1 weight 0.10000E+01 volume 0.13842E-02 ppm1 1.739 ppm2 0.333 CV 1
ASSI { 204}
( segid "SH3 " and resid 33 and name HG2%)
(( segid "SH3 " and resid 36 and name HB2 ))
3.500 1.500 1.500 peak 204 spectrum 1 weight 0.10000E+01 volume 0.21969E-02 ppm1 0.679 ppm2 0.333 CV 1
ASSI { 205}
(( segid "SH3 " and resid 7 and name HB1 ))
(( segid "SH3 " and resid 33 and name HB ))
2.500 0.800 0.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.37000E-02 ppm1 1.477 ppm2 1.805 CV 1
OR { 205}
(( segid "SH3 " and resid 7 and name HB2 ))
(( segid "SH3 " and resid 33 and name HB ))
ASSI { 209}
(( segid "SH3 " and resid 61 and name HG11))
(( segid "SH3 " and resid 61 and name HB ))
2.600 0.800 0.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.31714E-02 ppm1 2.281 ppm2 1.494 CV 1
ASSI { 210}
(( segid "SH3 " and resid 61 and name HG12))
(( segid "SH3 " and resid 61 and name HB ))
2.600 0.800 0.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.32540E-02 ppm1 2.281 ppm2 1.197 CV 1
ASSI { 211}
( segid "SH3 " and resid 61 and name HG2%)
(( segid "SH3 " and resid 61 and name HB ))
2.300 0.600 0.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.72183E-02 ppm1 2.282 ppm2 0.710 CV 1
ASSI { 212}
(( segid "SH3 " and resid 43 and name HE3 ))
(( segid "SH3 " and resid 61 and name HB ))
3.300 1.300 1.300 peak 212 spectrum 1 weight 0.10000E+01 volume 0.92169E-03 ppm1 2.281 ppm2 -1.038 CV 1
ASSI { 213}
(( segid "SH3 " and resid 43 and name HZ3 ))
(( segid "SH3 " and resid 61 and name HB ))
2.800 1.000 1.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.25272E-02 ppm1 2.281 ppm2 -1.287 CV 1
ASSI { 214}
(( segid "SH3 " and resid 46 and name HA ))
(( segid "SH3 " and resid 53 and name HB1 ))
4.100 2.100 1.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.56491E-03 ppm1 3.806 ppm2 5.227 CV 1
ASSI { 215}
(( segid "SH3 " and resid 53 and name HA ))
(( segid "SH3 " and resid 53 and name HB1 ))
2.700 0.900 0.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 3.802 ppm2 5.843 CV 1
ASSI { 216}
(( segid "SH3 " and resid 46 and name HG1 ))
(( segid "SH3 " and resid 53 and name HB1 ))
3.300 1.300 1.300 peak 216 spectrum 1 weight 0.10000E+01 volume 0.78459E-03 ppm1 3.802 ppm2 2.075 CV 1
ASSI { 217}
(( segid "SH3 " and resid 46 and name HB2 ))
(( segid "SH3 " and resid 53 and name HB1 ))
3.200 1.300 1.300 peak 217 spectrum 1 weight 0.10000E+01 volume 0.82255E-03 ppm1 3.803 ppm2 1.963 CV 1
ASSI { 218}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 53 and name HB1 ))
3.500 1.500 1.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.85234E-03 ppm1 3.802 ppm2 0.807 CV 1
ASSI { 219}
(( segid "SH3 " and resid 53 and name HA ))
(( segid "SH3 " and resid 53 and name HB2 ))
2.600 0.800 0.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.29566E-02 ppm1 3.653 ppm2 5.845 CV 1
ASSI { 220}
(( segid "SH3 " and resid 46 and name HA ))
(( segid "SH3 " and resid 53 and name HB2 ))
3.900 1.900 1.900 peak 220 spectrum 1 weight 0.10000E+01 volume 0.98112E-03 ppm1 3.653 ppm2 5.226 CV 1
ASSI { 222}
(( segid "SH3 " and resid 46 and name HB2 ))
(( segid "SH3 " and resid 53 and name HB2 ))
3.100 1.200 1.200 peak 222 spectrum 1 weight 0.10000E+01 volume 0.17344E-02 ppm1 3.652 ppm2 1.965 CV 1
OR { 222}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 53 and name HB2 ))
ASSI { 223}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 53 and name HB2 ))
3.300 1.300 1.300 peak 223 spectrum 1 weight 0.10000E+01 volume 0.86716E-03 ppm1 3.655 ppm2 0.805 CV 1
ASSI { 224}
(( segid "SH3 " and resid 60 and name HB2 ))
(( segid "SH3 " and resid 60 and name HB1 ))
1.800 0.400 0.400 peak 224 spectrum 1 weight 0.10000E+01 volume 0.15378E-01 ppm1 3.439 ppm2 3.078 CV 1
ASSI { 226}
( segid "SH3 " and resid 60 and name HD% )
(( segid "SH3 " and resid 60 and name HB1 ))
3.100 1.200 1.200 peak 226 spectrum 1 weight 0.10000E+01 volume 0.88534E-03 ppm1 3.444 ppm2 -1.207 CV 1
ASSI { 228}
(( segid "SH3 " and resid 60 and name HA ))
(( segid "SH3 " and resid 60 and name HB2 ))
3.300 1.400 1.400 peak 228 spectrum 1 weight 0.10000E+01 volume 0.10819E-02 ppm1 3.078 ppm2 4.699 CV 1
ASSI { 230}
( segid "SH3 " and resid 60 and name HD% )
(( segid "SH3 " and resid 60 and name HB2 ))
3.600 1.600 1.600 peak 230 spectrum 1 weight 0.10000E+01 volume 0.62933E-03 ppm1 3.081 ppm2 -1.208 CV 1
ASSI { 231}
(( segid "SH3 " and resid 18 and name HA ))
(( segid "SH3 " and resid 18 and name HG1 ))
3.500 1.500 1.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.73504E-03 ppm1 2.247 ppm2 4.372 CV 1
ASSI { 232}
(( segid "SH3 " and resid 18 and name HB2 ))
(( segid "SH3 " and resid 18 and name HG1 ))
2.300 0.700 0.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.76809E-02 ppm1 2.249 ppm2 1.886 CV 1
ASSI { 233}
(( segid "SH3 " and resid 18 and name HA ))
(( segid "SH3 " and resid 18 and name HG2 ))
3.500 1.500 1.500 peak 233 spectrum 1 weight 0.10000E+01 volume 0.10439E-02 ppm1 2.163 ppm2 4.372 CV 1
ASSI { 235}
(( segid "SH3 " and resid 31 and name HA ))
(( segid "SH3 " and resid 31 and name HB ))
2.500 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.42285E-02 ppm1 2.012 ppm2 5.310 CV 1
ASSI { 236}
(( segid "SH3 " and resid 45 and name HB1 ))
(( segid "SH3 " and resid 31 and name HB ))
2.400 0.700 0.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.40303E-02 ppm1 2.011 ppm2 2.720 CV 1
ASSI { 237}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 31 and name HB ))
2.300 0.700 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.66401E-02 ppm1 2.010 ppm2 0.676 CV 1
ASSI { 238}
( segid "SH3 " and resid 31 and name HG2%)
(( segid "SH3 " and resid 31 and name HB ))
2.400 0.700 0.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.56821E-02 ppm1 2.011 ppm2 0.564 CV 1
ASSI { 239}
(( segid "SH3 " and resid 48 and name HB ))
(( segid "SH3 " and resid 48 and name HA ))
2.900 1.000 1.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.23951E-02 ppm1 3.388 ppm2 1.664 CV 1
ASSI { 240}
( segid "SH3 " and resid 48 and name HG1%)
(( segid "SH3 " and resid 48 and name HA ))
2.600 0.900 0.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.35348E-02 ppm1 3.388 ppm2 0.619 CV 1
ASSI { 241}
( segid "SH3 " and resid 48 and name HG2%)
(( segid "SH3 " and resid 48 and name HA ))
2.700 0.900 0.900 peak 241 spectrum 1 weight 0.10000E+01 volume 0.32540E-02 ppm1 3.389 ppm2 0.170 CV 1
ASSI { 243}
(( segid "SH3 " and resid 22 and name HA ))
(( segid "SH3 " and resid 22 and name HG1 ))
3.200 1.300 1.300 peak 243 spectrum 1 weight 0.10000E+01 volume 0.13198E-02 ppm1 2.228 ppm2 5.082 CV 1
ASSI { 244}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 48 and name HA ))
3.600 1.600 1.600 peak 244 spectrum 1 weight 0.10000E+01 volume 0.60125E-03 ppm1 3.387 ppm2 -1.067 CV 1
ASSI { 245}
(( segid "SH3 " and resid 62 and name HB2 ))
(( segid "SH3 " and resid 62 and name HG1 ))
2.100 0.600 0.600 peak 245 spectrum 1 weight 0.10000E+01 volume 0.13248E-01 ppm1 2.133 ppm2 1.753 CV 1
OR { 245}
(( segid "SH3 " and resid 62 and name HB2 ))
(( segid "SH3 " and resid 62 and name HG2 ))
ASSI { 247}
(( segid "SH3 " and resid 63 and name HD2 ))
(( segid "SH3 " and resid 62 and name HG2 ))
3.400 1.400 1.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.10076E-02 ppm1 2.127 ppm2 3.840 CV 1
OR { 247}
(( segid "SH3 " and resid 63 and name HD2 ))
(( segid "SH3 " and resid 62 and name HG1 ))
ASSI { 249}
(( segid "SH3 " and resid 50 and name HA ))
(( segid "SH3 " and resid 50 and name HB1 ))
2.300 0.700 0.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.90848E-02 ppm1 3.994 ppm2 4.558 CV 1
ASSI { 250}
(( segid "SH3 " and resid 19 and name HA ))
(( segid "SH3 " and resid 19 and name HB1 ))
2.500 0.800 0.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.50710E-02 ppm1 3.938 ppm2 4.634 CV 1
ASSI { 254}
(( segid "SH3 " and resid 50 and name HB1 ))
(( segid "SH3 " and resid 50 and name HB2 ))
1.600 0.300 0.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.36669E-01 ppm1 3.823 ppm2 3.989 CV 1
ASSI { 256}
(( segid "SH3 " and resid 19 and name HA ))
(( segid "SH3 " and resid 19 and name HB2 ))
2.800 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.27089E-02 ppm1 3.642 ppm2 4.632 CV 1
ASSI { 257}
(( segid "SH3 " and resid 19 and name HB1 ))
(( segid "SH3 " and resid 19 and name HB2 ))
1.800 0.400 0.400 peak 257 spectrum 1 weight 0.10000E+01 volume 0.23951E-01 ppm1 3.642 ppm2 3.935 CV 1
ASSI { 259}
(( segid "SH3 " and resid 26 and name HG1 ))
(( segid "SH3 " and resid 26 and name HB1 ))
2.200 0.600 0.600 peak 259 spectrum 1 weight 0.10000E+01 volume 0.10505E-01 ppm1 1.640 ppm2 1.351 CV 1
OR { 259}
(( segid "SH3 " and resid 26 and name HG1 ))
(( segid "SH3 " and resid 26 and name HB2 ))
ASSI { 260}
(( segid "SH3 " and resid 37 and name HA ))
(( segid "SH3 " and resid 37 and name HB1 ))
2.400 0.700 0.700 peak 260 spectrum 1 weight 0.10000E+01 volume 0.58142E-02 ppm1 1.795 ppm2 4.382 CV 1
OR { 260}
(( segid "SH3 " and resid 37 and name HA ))
(( segid "SH3 " and resid 37 and name HB2 ))
ASSI { 261}
(( segid "SH3 " and resid 37 and name HG1 ))
(( segid "SH3 " and resid 37 and name HB1 ))
2.200 0.600 0.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.10670E-01 ppm1 1.796 ppm2 1.411 CV 1
OR { 261}
(( segid "SH3 " and resid 37 and name HG1 ))
(( segid "SH3 " and resid 37 and name HB2 ))
ASSI { 262}
(( segid "SH3 " and resid 39 and name HA ))
(( segid "SH3 " and resid 39 and name HB1 ))
2.800 1.000 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.21143E-02 ppm1 4.283 ppm2 4.698 CV 1
ASSI { 263}
(( segid "SH3 " and resid 39 and name HB2 ))
(( segid "SH3 " and resid 39 and name HB1 ))
1.700 0.400 0.500 peak 263 spectrum 1 weight 0.10000E+01 volume 0.24612E-01 ppm1 4.282 ppm2 3.997 CV 1
ASSI { 264}
(( segid "SH3 " and resid 42 and name HB2 ))
(( segid "SH3 " and resid 39 and name HB1 ))
3.500 1.600 1.600 peak 264 spectrum 1 weight 0.10000E+01 volume 0.61116E-03 ppm1 4.281 ppm2 2.844 CV 1
ASSI { 265}
(( segid "SH3 " and resid 39 and name HA ))
(( segid "SH3 " and resid 39 and name HB2 ))
2.400 0.700 0.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.70531E-02 ppm1 3.999 ppm2 4.698 CV 1
ASSI { 268}
(( segid "SH3 " and resid 46 and name HA ))
(( segid "SH3 " and resid 46 and name HB1 ))
3.200 1.300 1.300 peak 268 spectrum 1 weight 0.10000E+01 volume 0.14387E-02 ppm1 2.003 ppm2 5.224 CV 1
ASSI { 270}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 46 and name HB2 ))
2.900 1.100 1.100 peak 270 spectrum 1 weight 0.10000E+01 volume 0.15510E-02 ppm1 1.939 ppm2 0.804 CV 1
ASSI { 271}
(( segid "SH3 " and resid 46 and name HA ))
(( segid "SH3 " and resid 46 and name HB2 ))
2.800 1.000 1.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.14866E-02 ppm1 1.955 ppm2 5.230 CV 1
ASSI { 272}
(( segid "SH3 " and resid 32 and name HB2 ))
(( segid "SH3 " and resid 46 and name HB2 ))
4.300 2.300 1.700 peak 272 spectrum 1 weight 0.10000E+01 volume 0.66071E-03 ppm1 1.954 ppm2 2.631 CV 1
ASSI { 274}
(( segid "SH3 " and resid 12 and name HB2 ))
(( segid "SH3 " and resid 12 and name HG1 ))
2.500 0.800 0.800 peak 274 spectrum 1 weight 0.10000E+01 volume 0.36669E-02 ppm1 2.062 ppm2 1.339 CV 1
ASSI { 276}
( segid "SH3 " and resid 56 and name HG1%)
(( segid "SH3 " and resid 56 and name HB ))
2.300 0.700 0.700 peak 276 spectrum 1 weight 0.10000E+01 volume 0.60786E-02 ppm1 1.802 ppm2 1.178 CV 1
ASSI { 277}
( segid "SH3 " and resid 25 and name HD1%)
(( segid "SH3 " and resid 56 and name HB ))
2.500 0.800 0.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.38156E-02 ppm1 1.801 ppm2 1.002 CV 1
ASSI { 278}
(( segid "SH3 " and resid 20 and name HA ))
(( segid "SH3 " and resid 20 and name HG2 ))
3.800 1.900 1.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.44598E-03 ppm1 2.408 ppm2 4.193 CV 1
OR { 278}
(( segid "SH3 " and resid 20 and name HA ))
(( segid "SH3 " and resid 20 and name HG1 ))
ASSI { 280}
(( segid "SH3 " and resid 12 and name HB2 ))
(( segid "SH3 " and resid 12 and name HG2 ))
2.500 0.800 0.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.34522E-02 ppm1 1.915 ppm2 1.342 CV 1
ASSI { 281}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 56 and name HB ))
2.200 0.600 0.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.90023E-02 ppm1 1.799 ppm2 0.821 CV 1
ASSI { 288}
(( segid "SH3 " and resid 11 and name HB ))
(( segid "SH3 " and resid 11 and name HA ))
2.900 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.13231E-02 ppm1 4.089 ppm2 2.227 CV 1
ASSI { 289}
( segid "SH3 " and resid 11 and name HG1%)
(( segid "SH3 " and resid 11 and name HA ))
2.500 0.800 0.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.70531E-02 ppm1 4.090 ppm2 0.930 CV 1
ASSI { 290}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 11 and name HA ))
2.400 0.700 0.700 peak 290 spectrum 1 weight 0.10000E+01 volume 0.64750E-02 ppm1 4.088 ppm2 0.824 CV 1
ASSI { 291}
( segid "SH3 " and resid 61 and name HD1%)
(( segid "SH3 " and resid 11 and name HA ))
2.500 0.800 0.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.36339E-02 ppm1 4.090 ppm2 0.650 CV 1
ASSI { 297}
(( segid "SH3 " and resid 7 and name HA ))
(( segid "SH3 " and resid 7 and name HB2 ))
2.400 0.700 0.700 peak 297 spectrum 1 weight 0.10000E+01 volume 0.57812E-02 ppm1 1.800 ppm2 4.363 CV 1
OR { 297}
(( segid "SH3 " and resid 7 and name HA ))
(( segid "SH3 " and resid 7 and name HB1 ))
ASSI { 300}
(( segid "SH3 " and resid 8 and name HA ))
(( segid "SH3 " and resid 8 and name HB2 ))
3.300 1.400 1.400 peak 300 spectrum 1 weight 0.10000E+01 volume 0.11827E-02 ppm1 1.763 ppm2 5.264 CV 1
ASSI { 301}
(( segid "SH3 " and resid 8 and name HD1 ))
(( segid "SH3 " and resid 8 and name HB2 ))
3.400 1.500 1.500 peak 301 spectrum 1 weight 0.10000E+01 volume 0.83416E-03 ppm1 1.759 ppm2 3.217 CV 1
ASSI { 302}
(( segid "SH3 " and resid 8 and name HD2 ))
(( segid "SH3 " and resid 8 and name HB2 ))
3.500 1.500 1.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.65245E-03 ppm1 1.762 ppm2 3.143 CV 1
ASSI { 304}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 45 and name HB1 ))
3.000 1.100 1.100 peak 304 spectrum 1 weight 0.10000E+01 volume 0.24447E-02 ppm1 2.733 ppm2 0.676 CV 1
ASSI { 305}
( segid "SH3 " and resid 31 and name HG2%)
(( segid "SH3 " and resid 45 and name HB1 ))
2.800 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.25768E-02 ppm1 2.728 ppm2 0.572 CV 1
ASSI { 310}
(( segid "SH3 " and resid 45 and name HA ))
(( segid "SH3 " and resid 45 and name HB2 ))
3.100 1.200 1.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.18995E-02 ppm1 2.675 ppm2 5.567 CV 1
ASSI { 311}
(( segid "SH3 " and resid 31 and name HB ))
(( segid "SH3 " and resid 45 and name HB1 ))
2.600 0.900 0.900 peak 311 spectrum 1 weight 0.10000E+01 volume 0.28411E-02 ppm1 2.681 ppm2 2.006 CV 1
OR { 311}
(( segid "SH3 " and resid 31 and name HB ))
(( segid "SH3 " and resid 45 and name HB2 ))
ASSI { 312}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 45 and name HB2 ))
2.800 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.18005E-02 ppm1 2.676 ppm2 0.816 CV 1
ASSI { 314}
(( segid "SH3 " and resid 59 and name HG2 ))
(( segid "SH3 " and resid 59 and name HG1 ))
1.800 0.400 0.400 peak 314 spectrum 1 weight 0.10000E+01 volume 0.22465E-01 ppm1 2.241 ppm2 1.812 CV 1
ASSI { 316}
(( segid "SH3 " and resid 46 and name HA ))
(( segid "SH3 " and resid 46 and name HG1 ))
3.100 1.200 1.200 peak 316 spectrum 1 weight 0.10000E+01 volume 0.10835E-02 ppm1 2.073 ppm2 5.229 CV 1
ASSI { 318}
(( segid "SH3 " and resid 52 and name HA ))
(( segid "SH3 " and resid 52 and name HB1 ))
2.200 0.600 0.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.76481E-02 ppm1 1.828 ppm2 4.300 CV 1
ASSI { 320}
( segid "SH3 " and resid 23 and name HD1%)
(( segid "SH3 " and resid 52 and name HB1 ))
2.500 0.800 0.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.42121E-02 ppm1 1.833 ppm2 0.705 CV 1
ASSI { 322}
(( segid "SH3 " and resid 52 and name HA ))
(( segid "SH3 " and resid 52 and name HB2 ))
2.900 1.100 1.100 peak 322 spectrum 1 weight 0.10000E+01 volume 0.24612E-02 ppm1 1.659 ppm2 4.299 CV 1
ASSI { 323}
( segid "SH3 " and resid 47 and name HD1%)
(( segid "SH3 " and resid 52 and name HB2 ))
2.800 1.000 1.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.16253E-02 ppm1 1.662 ppm2 1.102 CV 1
ASSI { 324}
( segid "SH3 " and resid 23 and name HD1%)
(( segid "SH3 " and resid 52 and name HB2 ))
3.000 1.100 1.100 peak 324 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 1.657 ppm2 0.705 CV 1
ASSI { 325}
(( segid "SH3 " and resid 16 and name HA ))
(( segid "SH3 " and resid 24 and name HA ))
2.700 0.900 0.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.27750E-02 ppm1 4.912 ppm2 4.493 CV 1
ASSI { 327}
( segid "SH3 " and resid 24 and name HG2%)
(( segid "SH3 " and resid 24 and name HA ))
2.500 0.800 0.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.46250E-02 ppm1 4.912 ppm2 1.306 CV 1
ASSI { 328}
( segid "SH3 " and resid 15 and name HD% )
(( segid "SH3 " and resid 24 and name HA ))
3.500 1.500 1.500 peak 328 spectrum 1 weight 0.10000E+01 volume 0.65080E-03 ppm1 4.912 ppm2 -0.529 CV 1
ASSI { 330}
( segid "SH3 " and resid 48 and name HG2%)
(( segid "SH3 " and resid 30 and name HB1 ))
2.700 0.900 0.900 peak 330 spectrum 1 weight 0.10000E+01 volume 0.26429E-02 ppm1 1.684 ppm2 0.170 CV 1
OR { 330}
( segid "SH3 " and resid 48 and name HG2%)
(( segid "SH3 " and resid 30 and name HB2 ))
ASSI { 332}
(( segid "SH3 " and resid 9 and name HA1 ))
(( segid "SH3 " and resid 63 and name HA ))
2.800 1.000 1.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.48397E-02 ppm1 4.670 ppm2 5.013 CV 1
ASSI { 334}
(( segid "SH3 " and resid 63 and name HB1 ))
(( segid "SH3 " and resid 63 and name HA ))
2.400 0.700 0.700 peak 334 spectrum 1 weight 0.10000E+01 volume 0.49057E-02 ppm1 4.670 ppm2 2.247 CV 1
ASSI { 335}
(( segid "SH3 " and resid 63 and name HB2 ))
(( segid "SH3 " and resid 63 and name HA ))
3.000 1.100 1.100 peak 335 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 4.670 ppm2 1.864 CV 1
ASSI { 337}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 63 and name HA ))
2.800 1.000 1.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.21969E-02 ppm1 4.671 ppm2 0.641 CV 1
ASSI { 339}
(( segid "SH3 " and resid 27 and name HA ))
(( segid "SH3 " and resid 27 and name HB2 ))
1.900 0.400 0.400 peak 339 spectrum 1 weight 0.10000E+01 volume 0.25768E-01 ppm1 3.536 ppm2 3.331 CV 1
OR { 339}
(( segid "SH3 " and resid 27 and name HA ))
(( segid "SH3 " and resid 27 and name HB1 ))
ASSI { 340}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 27 and name HB2 ))
3.700 1.700 1.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.59959E-03 ppm1 3.536 ppm2 0.829 CV 1
OR { 340}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 27 and name HB1 ))
ASSI { 342}
(( segid "SH3 " and resid 43 and name HB2 ))
(( segid "SH3 " and resid 43 and name HB1 ))
1.600 0.300 0.600 peak 342 spectrum 1 weight 0.10000E+01 volume 0.32044E-01 ppm1 2.923 ppm2 2.765 CV 1
ASSI { 347}
( segid "SH3 " and resid 33 and name HG2%)
(( segid "SH3 " and resid 43 and name HB2 ))
4.300 2.300 1.700 peak 347 spectrum 1 weight 0.10000E+01 volume 0.41460E-03 ppm1 2.766 ppm2 0.337 CV 1
ASSI { 350}
(( segid "SH3 " and resid 17 and name HA ))
(( segid "SH3 " and resid 22 and name HB1 ))
3.100 1.200 1.200 peak 350 spectrum 1 weight 0.10000E+01 volume 0.11612E-02 ppm1 2.309 ppm2 3.790 CV 1
ASSI { 351}
( segid "SH3 " and resid 17 and name HB% )
(( segid "SH3 " and resid 22 and name HB1 ))
2.900 1.000 1.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.29236E-02 ppm1 2.311 ppm2 1.250 CV 1
ASSI { 352}
(( segid "SH3 " and resid 22 and name HA ))
(( segid "SH3 " and resid 22 and name HB2 ))
2.900 1.100 1.100 peak 352 spectrum 1 weight 0.10000E+01 volume 0.25768E-02 ppm1 2.260 ppm2 5.078 CV 1
ASSI { 355}
(( segid "SH3 " and resid 44 and name HA ))
(( segid "SH3 " and resid 44 and name HG2 ))
3.400 1.400 1.400 peak 355 spectrum 1 weight 0.10000E+01 volume 0.69705E-03 ppm1 2.117 ppm2 5.016 CV 1
ASSI { 357}
(( segid "SH3 " and resid 16 and name HB1 ))
(( segid "SH3 " and resid 16 and name HG2 ))
2.200 0.600 0.600 peak 357 spectrum 1 weight 0.10000E+01 volume 0.97127E-02 ppm1 2.416 ppm2 1.819 CV 1
OR { 357}
(( segid "SH3 " and resid 16 and name HB2 ))
(( segid "SH3 " and resid 16 and name HG1 ))
OR { 357}
(( segid "SH3 " and resid 16 and name HB2 ))
(( segid "SH3 " and resid 16 and name HG2 ))
OR { 357}
(( segid "SH3 " and resid 16 and name HB1 ))
(( segid "SH3 " and resid 16 and name HG1 ))
ASSI { 361}
(( segid "SH3 " and resid 44 and name HA ))
(( segid "SH3 " and resid 44 and name HG1 ))
3.500 1.500 1.500 peak 361 spectrum 1 weight 0.10000E+01 volume 0.11678E-02 ppm1 2.182 ppm2 5.025 CV 1
ASSI { 365}
(( segid "SH3 " and resid 35 and name HB2 ))
(( segid "SH3 " and resid 44 and name HG2 ))
3.400 1.500 1.500 peak 365 spectrum 1 weight 0.10000E+01 volume 0.11480E-02 ppm1 2.104 ppm2 2.569 CV 1
ASSI { 366}
(( segid "SH3 " and resid 38 and name HD1 ))
(( segid "SH3 " and resid 38 and name HB1 ))
3.100 1.200 1.200 peak 366 spectrum 1 weight 0.10000E+01 volume 0.15246E-02 ppm1 1.988 ppm2 1.653 CV 1
OR { 366}
(( segid "SH3 " and resid 38 and name HD2 ))
(( segid "SH3 " and resid 38 and name HB1 ))
ASSI { 368}
(( segid "SH3 " and resid 38 and name HG1 ))
(( segid "SH3 " and resid 38 and name HB1 ))
2.900 1.100 1.100 peak 368 spectrum 1 weight 0.10000E+01 volume 0.21308E-02 ppm1 1.982 ppm2 1.548 CV 1
ASSI { 371}
(( segid "SH3 " and resid 38 and name HB1 ))
(( segid "SH3 " and resid 38 and name HB2 ))
1.400 0.200 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.96302E-01 ppm1 1.858 ppm2 1.979 CV 1
ASSI { 372}
(( segid "SH3 " and resid 38 and name HG1 ))
(( segid "SH3 " and resid 38 and name HB2 ))
2.200 0.600 0.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.91176E-02 ppm1 1.858 ppm2 1.548 CV 1
ASSI { 376}
( segid "SH3 " and resid 64 and name HG1%)
(( segid "SH3 " and resid 64 and name HA ))
2.400 0.700 0.700 peak 376 spectrum 1 weight 0.10000E+01 volume 0.70696E-02 ppm1 4.042 ppm2 0.858 CV 1
OR { 376}
( segid "SH3 " and resid 64 and name HG2%)
(( segid "SH3 " and resid 64 and name HA ))
ASSI { 378}
(( segid "SH3 " and resid 42 and name HB2 ))
(( segid "SH3 " and resid 42 and name HB1 ))
1.600 0.300 0.600 peak 378 spectrum 1 weight 0.10000E+01 volume 0.35514E-01 ppm1 2.970 ppm2 2.841 CV 1
ASSI { 380}
(( segid "SH3 " and resid 42 and name HE3 ))
(( segid "SH3 " and resid 42 and name HB1 ))
2.900 1.000 1.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.17839E-02 ppm1 2.974 ppm2 -0.995 CV 1
ASSI { 381}
(( segid "SH3 " and resid 42 and name HD1 ))
(( segid "SH3 " and resid 42 and name HB2 ))
3.200 1.200 1.200 peak 381 spectrum 1 weight 0.10000E+01 volume 0.16237E-02 ppm1 2.842 ppm2 -1.002 CV 1
OR { 381}
(( segid "SH3 " and resid 42 and name HE3 ))
(( segid "SH3 " and resid 42 and name HB2 ))
ASSI { 385}
(( segid "SH3 " and resid 44 and name HB2 ))
(( segid "SH3 " and resid 44 and name HB1 ))
1.800 0.400 0.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.16517E-01 ppm1 2.740 ppm2 2.273 CV 1
ASSI { 387}
(( segid "SH3 " and resid 34 and name HB2 ))
(( segid "SH3 " and resid 44 and name HB1 ))
3.700 1.700 1.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.79780E-03 ppm1 2.741 ppm2 1.368 CV 1
ASSI { 390}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 44 and name HB2 ))
2.500 0.800 0.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.62437E-02 ppm1 2.268 ppm2 0.814 CV 1
ASSI { 391}
(( segid "SH3 " and resid 34 and name HB1 ))
(( segid "SH3 " and resid 44 and name HB2 ))
4.100 2.100 1.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.87541E-03 ppm1 2.263 ppm2 1.483 CV 1
OR { 391}
(( segid "SH3 " and resid 34 and name HG ))
(( segid "SH3 " and resid 44 and name HB2 ))
ASSI { 393}
( segid "SH3 " and resid 61 and name HD1%)
(( segid "SH3 " and resid 11 and name HB ))
2.900 1.000 1.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.15890E-02 ppm1 2.245 ppm2 0.636 CV 1
ASSI { 394}
(( segid "SH3 " and resid 63 and name HB1 ))
(( segid "SH3 " and resid 63 and name HB2 ))
1.800 0.400 0.400 peak 394 spectrum 1 weight 0.10000E+01 volume 0.23290E-01 ppm1 1.864 ppm2 2.249 CV 1
ASSI { 396}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 63 and name HB2 ))
4.200 2.200 1.800 peak 396 spectrum 1 weight 0.10000E+01 volume 0.51535E-03 ppm1 1.862 ppm2 0.641 CV 1
ASSI { 399}
( segid "SH3 " and resid 24 and name HG2%)
(( segid "SH3 " and resid 16 and name HG1 ))
3.100 1.200 1.200 peak 399 spectrum 1 weight 0.10000E+01 volume 0.11728E-02 ppm1 2.415 ppm2 1.308 CV 1
OR { 399}
( segid "SH3 " and resid 24 and name HG2%)
(( segid "SH3 " and resid 16 and name HG2 ))
ASSI { 402}
( segid "SH3 " and resid 11 and name HG1%)
(( segid "SH3 " and resid 11 and name HB ))
2.200 0.600 0.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.81766E-02 ppm1 2.231 ppm2 0.927 CV 1
ASSI { 403}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 11 and name HB ))
2.200 0.600 0.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.93323E-02 ppm1 2.228 ppm2 0.827 CV 1
ASSI { 405}
(( segid "SH3 " and resid 62 and name HB2 ))
(( segid "SH3 " and resid 62 and name HB1 ))
1.800 0.400 0.400 peak 405 spectrum 1 weight 0.10000E+01 volume 0.19326E-01 ppm1 2.051 ppm2 1.747 CV 1
ASSI { 410}
( segid "SH3 " and resid 48 and name HG1%)
(( segid "SH3 " and resid 48 and name HB ))
2.400 0.700 0.700 peak 410 spectrum 1 weight 0.10000E+01 volume 0.54674E-02 ppm1 1.661 ppm2 0.619 CV 1
ASSI { 412}
(( segid "SH3 " and resid 45 and name HA ))
(( segid "SH3 " and resid 33 and name HA ))
2.700 0.900 0.900 peak 412 spectrum 1 weight 0.10000E+01 volume 0.23620E-02 ppm1 4.315 ppm2 5.565 CV 1
ASSI { 414}
(( segid "SH3 " and resid 33 and name HG11))
(( segid "SH3 " and resid 33 and name HA ))
3.000 1.100 1.100 peak 414 spectrum 1 weight 0.10000E+01 volume 0.21143E-02 ppm1 4.314 ppm2 1.341 CV 1
ASSI { 415}
(( segid "SH3 " and resid 33 and name HG12))
(( segid "SH3 " and resid 33 and name HA ))
2.800 1.000 1.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.17344E-02 ppm1 4.315 ppm2 0.869 CV 1
ASSI { 416}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 33 and name HA ))
3.600 1.600 1.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.14255E-02 ppm1 4.315 ppm2 0.643 CV 1
ASSI { 417}
( segid "SH3 " and resid 33 and name HG2%)
(( segid "SH3 " and resid 33 and name HA ))
2.700 0.900 0.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.28245E-02 ppm1 4.315 ppm2 0.335 CV 1
ASSI { 418}
(( segid "SH3 " and resid 57 and name HB2 ))
(( segid "SH3 " and resid 57 and name HA ))
3.100 1.200 1.200 peak 418 spectrum 1 weight 0.10000E+01 volume 0.17178E-02 ppm1 3.164 ppm2 0.359 CV 1
ASSI { 419}
(( segid "SH3 " and resid 42 and name HA ))
(( segid "SH3 " and resid 57 and name HA ))
2.800 1.000 1.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.21969E-02 ppm1 3.164 ppm2 4.837 CV 1
ASSI { 420}
(( segid "SH3 " and resid 57 and name HB1 ))
(( segid "SH3 " and resid 57 and name HA ))
2.400 0.700 0.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.44103E-02 ppm1 3.164 ppm2 0.911 CV 1
ASSI { 422}
(( segid "SH3 " and resid 18 and name HA ))
(( segid "SH3 " and resid 18 and name HB1 ))
3.000 1.100 1.100 peak 422 spectrum 1 weight 0.10000E+01 volume 0.19326E-02 ppm1 2.159 ppm2 4.371 CV 1
ASSI { 423}
(( segid "SH3 " and resid 18 and name HA ))
(( segid "SH3 " and resid 18 and name HB2 ))
3.200 1.300 1.300 peak 423 spectrum 1 weight 0.10000E+01 volume 0.11744E-02 ppm1 1.886 ppm2 4.377 CV 1
ASSI { 424}
(( segid "SH3 " and resid 65 and name HD2 ))
(( segid "SH3 " and resid 65 and name HB2 ))
3.500 1.500 1.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.76809E-03 ppm1 1.711 ppm2 3.151 CV 1
OR { 424}
(( segid "SH3 " and resid 65 and name HD1 ))
(( segid "SH3 " and resid 65 and name HB2 ))
ASSI { 427}
(( segid "SH3 " and resid 12 and name HG2 ))
(( segid "SH3 " and resid 12 and name HB1 ))
3.000 1.100 1.100 peak 427 spectrum 1 weight 0.10000E+01 volume 0.28576E-02 ppm1 1.415 ppm2 1.910 CV 1
ASSI { 430}
(( segid "SH3 " and resid 12 and name HA ))
(( segid "SH3 " and resid 12 and name HB2 ))
3.300 1.400 1.400 peak 430 spectrum 1 weight 0.10000E+01 volume 0.12553E-02 ppm1 1.338 ppm2 4.135 CV 1
ASSI { 433}
(( segid "SH3 " and resid 65 and name HB2 ))
(( segid "SH3 " and resid 65 and name HB1 ))
1.600 0.300 0.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.39147E-01 ppm1 1.816 ppm2 1.710 CV 1
ASSI { 438}
(( segid "SH3 " and resid 65 and name HG1 ))
(( segid "SH3 " and resid 65 and name HB2 ))
1.800 0.400 0.400 peak 438 spectrum 1 weight 0.10000E+01 volume 0.37991E-01 ppm1 1.711 ppm2 1.594 CV 1
OR { 438}
(( segid "SH3 " and resid 65 and name HG2 ))
(( segid "SH3 " and resid 65 and name HB2 ))
ASSI { 449}
(( segid "SH3 " and resid 11 and name HB ))
(( segid "SH3 " and resid 27 and name HA ))
3.700 1.700 1.700 peak 449 spectrum 1 weight 0.10000E+01 volume 0.13445E-02 ppm1 3.335 ppm2 2.230 CV 1
ASSI { 450}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 27 and name HA ))
2.400 0.700 0.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.49884E-02 ppm1 3.336 ppm2 0.827 CV 1
ASSI { 453}
(( segid "SH3 " and resid 57 and name HB2 ))
(( segid "SH3 " and resid 57 and name HB1 ))
1.800 0.400 0.400 peak 453 spectrum 1 weight 0.10000E+01 volume 0.15692E-01 ppm1 0.913 ppm2 0.359 CV 1
ASSI { 457}
(( segid "SH3 " and resid 25 and name HB ))
(( segid "SH3 " and resid 25 and name HA ))
2.600 0.800 0.800 peak 457 spectrum 1 weight 0.10000E+01 volume 0.34357E-02 ppm1 4.816 ppm2 2.122 CV 1
ASSI { 458}
(( segid "SH3 " and resid 25 and name HG12))
(( segid "SH3 " and resid 25 and name HA ))
4.000 2.000 2.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.43772E-03 ppm1 4.817 ppm2 1.838 CV 1
ASSI { 460}
( segid "SH3 " and resid 47 and name HD1%)
(( segid "SH3 " and resid 25 and name HA ))
3.600 1.600 1.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.60620E-03 ppm1 4.815 ppm2 1.102 CV 1
ASSI { 462}
( segid "SH3 " and resid 25 and name HG2%)
(( segid "SH3 " and resid 25 and name HA ))
2.400 0.700 0.700 peak 462 spectrum 1 weight 0.10000E+01 volume 0.56656E-02 ppm1 4.816 ppm2 0.885 CV 1
ASSI { 465}
(( segid "SH3 " and resid 10 and name HG12))
(( segid "SH3 " and resid 10 and name HA ))
2.900 1.100 1.100 peak 465 spectrum 1 weight 0.10000E+01 volume 0.15130E-02 ppm1 4.884 ppm2 1.017 CV 1
ASSI { 466}
( segid "SH3 " and resid 10 and name HG2%)
(( segid "SH3 " and resid 10 and name HA ))
2.500 0.800 0.800 peak 466 spectrum 1 weight 0.10000E+01 volume 0.44928E-02 ppm1 4.886 ppm2 0.775 CV 1
ASSI { 467}
( segid "SH3 " and resid 31 and name HG2%)
(( segid "SH3 " and resid 10 and name HA ))
3.600 1.600 1.600 peak 467 spectrum 1 weight 0.10000E+01 volume 0.53022E-03 ppm1 4.886 ppm2 0.560 CV 1
ASSI { 468}
(( segid "SH3 " and resid 38 and name HB1 ))
(( segid "SH3 " and resid 38 and name HA ))
2.700 0.900 0.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.36008E-02 ppm1 3.987 ppm2 1.982 CV 1
ASSI { 469}
(( segid "SH3 " and resid 38 and name HB2 ))
(( segid "SH3 " and resid 38 and name HA ))
2.600 0.800 0.800 peak 469 spectrum 1 weight 0.10000E+01 volume 0.42450E-02 ppm1 3.987 ppm2 1.853 CV 1
ASSI { 470}
(( segid "SH3 " and resid 38 and name HD1 ))
(( segid "SH3 " and resid 38 and name HA ))
3.900 1.900 1.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.40138E-03 ppm1 3.985 ppm2 1.653 CV 1
OR { 470}
(( segid "SH3 " and resid 38 and name HD2 ))
(( segid "SH3 " and resid 38 and name HA ))
ASSI { 471}
(( segid "SH3 " and resid 38 and name HG1 ))
(( segid "SH3 " and resid 38 and name HA ))
3.400 1.400 1.400 peak 471 spectrum 1 weight 0.10000E+01 volume 0.88205E-03 ppm1 3.985 ppm2 1.532 CV 1
ASSI { 473}
(( segid "SH3 " and resid 7 and name HB2 ))
(( segid "SH3 " and resid 7 and name HD2 ))
2.300 0.700 0.700 peak 473 spectrum 1 weight 0.10000E+01 volume 0.78627E-02 ppm1 1.528 ppm2 1.809 CV 1
OR { 473}
(( segid "SH3 " and resid 7 and name HB1 ))
(( segid "SH3 " and resid 7 and name HD2 ))
OR { 473}
(( segid "SH3 " and resid 7 and name HB1 ))
(( segid "SH3 " and resid 7 and name HD1 ))
OR { 473}
(( segid "SH3 " and resid 7 and name HB2 ))
(( segid "SH3 " and resid 7 and name HD1 ))
ASSI { 474}
(( segid "SH3 " and resid 10 and name HB ))
(( segid "SH3 " and resid 10 and name HA ))
2.800 1.000 1.000 peak 474 spectrum 1 weight 0.10000E+01 volume 0.24612E-02 ppm1 4.888 ppm2 1.608 CV 1
ASSI { 475}
(( segid "SH3 " and resid 10 and name HG11))
(( segid "SH3 " and resid 10 and name HA ))
3.300 1.400 1.400 peak 475 spectrum 1 weight 0.10000E+01 volume 0.10224E-02 ppm1 4.884 ppm2 1.406 CV 1
ASSI { 478}
(( segid "SH3 " and resid 52 and name HA ))
(( segid "SH3 " and resid 52 and name HD1 ))
4.000 2.000 2.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.66071E-03 ppm1 1.715 ppm2 4.302 CV 1
OR { 478}
(( segid "SH3 " and resid 52 and name HA ))
(( segid "SH3 " and resid 52 and name HD2 ))
ASSI { 479}
( segid "SH3 " and resid 47 and name HD1%)
(( segid "SH3 " and resid 52 and name HD2 ))
3.600 1.600 1.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.68383E-03 ppm1 1.715 ppm2 1.099 CV 1
OR { 479}
( segid "SH3 " and resid 47 and name HD1%)
(( segid "SH3 " and resid 52 and name HD1 ))
ASSI { 480}
( segid "SH3 " and resid 23 and name HD1%)
(( segid "SH3 " and resid 52 and name HD1 ))
3.600 1.600 1.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.61447E-03 ppm1 1.715 ppm2 0.711 CV 1
OR { 480}
( segid "SH3 " and resid 23 and name HD1%)
(( segid "SH3 " and resid 52 and name HD2 ))
ASSI { 481}
(( segid "SH3 " and resid 68 and name HE1 ))
(( segid "SH3 " and resid 68 and name HD1 ))
3.700 1.800 1.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.41295E-03 ppm1 1.217 ppm2 2.581 CV 1
OR { 481}
(( segid "SH3 " and resid 68 and name HE2 ))
(( segid "SH3 " and resid 68 and name HD1 ))
ASSI { 483}
(( segid "SH3 " and resid 68 and name HB1 ))
(( segid "SH3 " and resid 68 and name HD1 ))
2.800 1.000 1.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.26594E-02 ppm1 1.214 ppm2 1.572 CV 1
ASSI { 484}
(( segid "SH3 " and resid 68 and name HB2 ))
(( segid "SH3 " and resid 68 and name HD1 ))
3.100 1.200 1.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.16220E-02 ppm1 1.216 ppm2 1.421 CV 1
ASSI { 485}
(( segid "SH3 " and resid 68 and name HB2 ))
(( segid "SH3 " and resid 68 and name HD2 ))
3.000 1.100 1.100 peak 485 spectrum 1 weight 0.10000E+01 volume 0.17839E-02 ppm1 1.115 ppm2 1.420 CV 1
ASSI { 488}
(( segid "SH3 " and resid 15 and name HB1 ))
(( segid "SH3 " and resid 15 and name HA ))
2.900 1.000 1.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.28906E-02 ppm1 4.662 ppm2 3.285 CV 1
ASSI { 489}
(( segid "SH3 " and resid 15 and name HB2 ))
(( segid "SH3 " and resid 15 and name HA ))
2.800 1.000 1.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.17344E-02 ppm1 4.659 ppm2 3.008 CV 1
ASSI { 490}
( segid "SH3 " and resid 15 and name HD% )
(( segid "SH3 " and resid 15 and name HA ))
2.900 1.000 1.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.18830E-02 ppm1 4.663 ppm2 -0.535 CV 1
ASSI { 491}
(( segid "SH3 " and resid 20 and name HA ))
(( segid "SH3 " and resid 20 and name HB2 ))
2.600 0.800 0.800 peak 491 spectrum 1 weight 0.10000E+01 volume 0.53187E-02 ppm1 2.111 ppm2 4.189 CV 1
ASSI { 492}
(( segid "SH3 " and resid 8 and name HA ))
(( segid "SH3 " and resid 8 and name HG1 ))
3.400 1.400 1.400 peak 492 spectrum 1 weight 0.10000E+01 volume 0.87541E-03 ppm1 1.786 ppm2 5.263 CV 1
ASSI { 493}
(( segid "SH3 " and resid 8 and name HD1 ))
(( segid "SH3 " and resid 8 and name HG1 ))
3.300 1.300 1.300 peak 493 spectrum 1 weight 0.10000E+01 volume 0.97287E-03 ppm1 1.786 ppm2 3.215 CV 1
ASSI { 494}
(( segid "SH3 " and resid 8 and name HD2 ))
(( segid "SH3 " and resid 8 and name HG1 ))
3.200 1.300 1.300 peak 494 spectrum 1 weight 0.10000E+01 volume 0.95141E-03 ppm1 1.785 ppm2 3.145 CV 1
ASSI { 495}
(( segid "SH3 " and resid 8 and name HG2 ))
(( segid "SH3 " and resid 8 and name HG1 ))
1.700 0.300 0.500 peak 495 spectrum 1 weight 0.10000E+01 volume 0.27750E-01 ppm1 1.784 ppm2 1.610 CV 1
ASSI { 498}
(( segid "SH3 " and resid 8 and name HD2 ))
(( segid "SH3 " and resid 8 and name HG2 ))
3.200 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.95309E-03 ppm1 1.612 ppm2 3.146 CV 1
ASSI { 501}
(( segid "SH3 " and resid 45 and name HB1 ))
(( segid "SH3 " and resid 45 and name HA ))
2.500 0.800 0.800 peak 501 spectrum 1 weight 0.10000E+01 volume 0.34357E-02 ppm1 5.568 ppm2 2.724 CV 1
ASSI { 502}
(( segid "SH3 " and resid 34 and name HG ))
(( segid "SH3 " and resid 45 and name HA ))
3.200 1.300 1.300 peak 502 spectrum 1 weight 0.10000E+01 volume 0.12752E-02 ppm1 5.567 ppm2 1.461 CV 1
OR { 502}
(( segid "SH3 " and resid 34 and name HB1 ))
(( segid "SH3 " and resid 45 and name HA ))
ASSI { 505}
( segid "SH3 " and resid 47 and name HD2%)
(( segid "SH3 " and resid 31 and name HA ))
4.300 2.300 1.700 peak 505 spectrum 1 weight 0.10000E+01 volume 0.39312E-03 ppm1 5.313 ppm2 1.010 CV 1
ASSI { 507}
( segid "SH3 " and resid 31 and name HG2%)
(( segid "SH3 " and resid 31 and name HA ))
3.200 1.300 1.300 peak 507 spectrum 1 weight 0.10000E+01 volume 0.17013E-02 ppm1 5.312 ppm2 0.573 CV 1
ASSI { 510}
(( segid "SH3 " and resid 50 and name HB2 ))
(( segid "SH3 " and resid 50 and name HA ))
2.400 0.700 0.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.59134E-02 ppm1 4.558 ppm2 3.821 CV 1
ASSI { 512}
(( segid "SH3 " and resid 20 and name HB1 ))
(( segid "SH3 " and resid 20 and name HA ))
3.200 1.300 1.300 peak 512 spectrum 1 weight 0.10000E+01 volume 0.11546E-02 ppm1 4.192 ppm2 2.406 CV 1
OR { 512}
(( segid "SH3 " and resid 20 and name HG2 ))
(( segid "SH3 " and resid 20 and name HA ))
ASSI { 514}
(( segid "SH3 " and resid 11 and name HA ))
(( segid "SH3 " and resid 61 and name HA ))
2.200 0.600 0.600 peak 514 spectrum 1 weight 0.10000E+01 volume 0.83913E-02 ppm1 4.428 ppm2 4.091 CV 1
ASSI { 515}
(( segid "SH3 " and resid 61 and name HB ))
(( segid "SH3 " and resid 61 and name HA ))
3.200 1.200 1.200 peak 515 spectrum 1 weight 0.10000E+01 volume 0.11050E-02 ppm1 4.425 ppm2 2.278 CV 1
ASSI { 516}
(( segid "SH3 " and resid 61 and name HG11))
(( segid "SH3 " and resid 61 and name HA ))
3.700 1.800 1.800 peak 516 spectrum 1 weight 0.10000E+01 volume 0.89695E-03 ppm1 4.426 ppm2 1.491 CV 1
ASSI { 517}
( segid "SH3 " and resid 61 and name HG2%)
(( segid "SH3 " and resid 61 and name HA ))
2.400 0.700 0.700 peak 517 spectrum 1 weight 0.10000E+01 volume 0.55005E-02 ppm1 4.427 ppm2 0.714 CV 1
ASSI { 519}
(( segid "SH3 " and resid 63 and name HD1 ))
(( segid "SH3 " and resid 63 and name HG1 ))
2.700 0.900 0.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.21308E-02 ppm1 2.269 ppm2 4.197 CV 1
ASSI { 520}
(( segid "SH3 " and resid 63 and name HD2 ))
(( segid "SH3 " and resid 63 and name HG1 ))
3.100 1.200 1.200 peak 520 spectrum 1 weight 0.10000E+01 volume 0.24116E-02 ppm1 2.269 ppm2 3.843 CV 1
ASSI { 521}
(( segid "SH3 " and resid 63 and name HG2 ))
(( segid "SH3 " and resid 63 and name HG1 ))
1.900 0.400 0.400 peak 521 spectrum 1 weight 0.10000E+01 volume 0.14403E-01 ppm1 2.269 ppm2 1.943 CV 1
ASSI { 522}
(( segid "SH3 " and resid 59 and name HG1 ))
(( segid "SH3 " and resid 59 and name HB1 ))
2.100 0.500 0.500 peak 522 spectrum 1 weight 0.10000E+01 volume 0.26594E-01 ppm1 2.046 ppm2 2.227 CV 1
ASSI { 524}
(( segid "SH3 " and resid 59 and name HB2 ))
(( segid "SH3 " and resid 59 and name HB1 ))
1.800 0.400 0.400 peak 524 spectrum 1 weight 0.10000E+01 volume 0.20812E-01 ppm1 2.045 ppm2 1.824 CV 1
ASSI { 525}
(( segid "SH3 " and resid 63 and name HD1 ))
(( segid "SH3 " and resid 63 and name HG2 ))
3.100 1.200 1.200 peak 525 spectrum 1 weight 0.10000E+01 volume 0.19821E-02 ppm1 1.945 ppm2 4.198 CV 1
ASSI { 528}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 63 and name HG2 ))
3.900 1.900 1.900 peak 528 spectrum 1 weight 0.10000E+01 volume 0.79780E-03 ppm1 1.944 ppm2 0.645 CV 1
ASSI { 530}
(( segid "SH3 " and resid 59 and name HG1 ))
(( segid "SH3 " and resid 59 and name HB2 ))
2.400 0.700 0.700 peak 530 spectrum 1 weight 0.10000E+01 volume 0.44598E-02 ppm1 1.836 ppm2 2.237 CV 1
ASSI { 533}
(( segid "SH3 " and resid 47 and name HA ))
(( segid "SH3 " and resid 47 and name HG ))
2.900 1.000 1.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.20317E-02 ppm1 1.657 ppm2 4.404 CV 1
ASSI { 535}
( segid "SH3 " and resid 23 and name HD2%)
(( segid "SH3 " and resid 47 and name HG ))
2.900 1.000 1.000 peak 535 spectrum 1 weight 0.10000E+01 volume 0.15576E-02 ppm1 1.660 ppm2 0.582 CV 1
ASSI { 536}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 34 and name HG ))
3.600 1.600 1.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.52857E-03 ppm1 1.470 ppm2 0.804 CV 1
ASSI { 538}
(( segid "SH3 " and resid 10 and name HB ))
(( segid "SH3 " and resid 10 and name HG11))
2.100 0.500 0.500 peak 538 spectrum 1 weight 0.10000E+01 volume 0.12405E-01 ppm1 1.399 ppm2 1.605 CV 1
ASSI { 539}
( segid "SH3 " and resid 10 and name HD1%)
(( segid "SH3 " and resid 10 and name HG11))
2.300 0.700 0.700 peak 539 spectrum 1 weight 0.10000E+01 volume 0.85562E-02 ppm1 1.398 ppm2 0.794 CV 1
OR { 539}
( segid "SH3 " and resid 10 and name HG2%)
(( segid "SH3 " and resid 10 and name HG11))
ASSI { 541}
( segid "SH3 " and resid 10 and name HD1%)
(( segid "SH3 " and resid 10 and name HG12))
2.100 0.500 0.500 peak 541 spectrum 1 weight 0.10000E+01 volume 0.12884E-01 ppm1 1.020 ppm2 0.793 CV 1
OR { 541}
( segid "SH3 " and resid 10 and name HG2%)
(( segid "SH3 " and resid 10 and name HG12))
ASSI { 543}
(( segid "SH3 " and resid 33 and name HG12))
(( segid "SH3 " and resid 33 and name HG11))
1.800 0.400 0.400 peak 543 spectrum 1 weight 0.10000E+01 volume 0.16848E-01 ppm1 1.336 ppm2 0.871 CV 1
ASSI { 551}
(( segid "SH3 " and resid 57 and name HB2 ))
(( segid "SH3 " and resid 57 and name HG1 ))
2.700 0.900 0.900 peak 551 spectrum 1 weight 0.10000E+01 volume 0.53848E-02 ppm1 0.231 ppm2 0.347 CV 1
ASSI { 553}
(( segid "SH3 " and resid 57 and name HB2 ))
(( segid "SH3 " and resid 57 and name HG2 ))
2.500 0.800 0.800 peak 553 spectrum 1 weight 0.10000E+01 volume 0.33036E-02 ppm1 0.025 ppm2 0.341 CV 1
ASSI { 554}
(( segid "SH3 " and resid 57 and name HG1 ))
(( segid "SH3 " and resid 57 and name HG2 ))
2.000 0.500 0.500 peak 554 spectrum 1 weight 0.10000E+01 volume 0.82591E-02 ppm1 0.029 ppm2 0.229 CV 1
ASSI { 555}
(( segid "SH3 " and resid 45 and name HA ))
(( segid "SH3 " and resid 34 and name HG ))
3.200 1.300 1.300 peak 555 spectrum 1 weight 0.10000E+01 volume 0.98608E-03 ppm1 1.467 ppm2 5.565 CV 1
ASSI { 556}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 34 and name HG ))
2.400 0.700 0.700 peak 556 spectrum 1 weight 0.10000E+01 volume 0.51535E-02 ppm1 1.466 ppm2 0.706 CV 1
ASSI { 557}
(( segid "SH3 " and resid 34 and name HA ))
(( segid "SH3 " and resid 34 and name HG ))
3.300 1.400 1.400 peak 557 spectrum 1 weight 0.10000E+01 volume 0.99601E-03 ppm1 1.461 ppm2 4.222 CV 1
ASSI { 558}
(( segid "SH3 " and resid 57 and name HD1 ))
(( segid "SH3 " and resid 56 and name HA ))
2.400 0.700 0.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.36008E-02 ppm1 4.766 ppm2 2.093 CV 1
ASSI { 559}
(( segid "SH3 " and resid 57 and name HD2 ))
(( segid "SH3 " and resid 56 and name HA ))
2.700 0.900 0.900 peak 559 spectrum 1 weight 0.10000E+01 volume 0.52031E-02 ppm1 4.765 ppm2 1.973 CV 1
ASSI { 560}
(( segid "SH3 " and resid 56 and name HB ))
(( segid "SH3 " and resid 56 and name HA ))
2.600 0.800 0.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.31879E-02 ppm1 4.765 ppm2 1.803 CV 1
ASSI { 561}
( segid "SH3 " and resid 56 and name HG1%)
(( segid "SH3 " and resid 56 and name HA ))
2.700 0.900 0.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.25768E-02 ppm1 4.763 ppm2 1.177 CV 1
ASSI { 564}
(( segid "SH3 " and resid 40 and name HB2 ))
(( segid "SH3 " and resid 40 and name HA ))
2.100 0.600 0.600 peak 564 spectrum 1 weight 0.10000E+01 volume 0.12455E-01 ppm1 4.369 ppm2 1.776 CV 1
OR { 564}
(( segid "SH3 " and resid 40 and name HB1 ))
(( segid "SH3 " and resid 40 and name HA ))
ASSI { 565}
(( segid "SH3 " and resid 40 and name HD2 ))
(( segid "SH3 " and resid 40 and name HA ))
3.100 1.200 1.200 peak 565 spectrum 1 weight 0.10000E+01 volume 0.24777E-02 ppm1 4.371 ppm2 1.677 CV 1
OR { 565}
(( segid "SH3 " and resid 40 and name HD1 ))
(( segid "SH3 " and resid 40 and name HA ))
ASSI { 566}
(( segid "SH3 " and resid 40 and name HG2 ))
(( segid "SH3 " and resid 40 and name HA ))
3.000 1.100 1.100 peak 566 spectrum 1 weight 0.10000E+01 volume 0.19491E-02 ppm1 4.371 ppm2 1.447 CV 1
OR { 566}
(( segid "SH3 " and resid 40 and name HG1 ))
(( segid "SH3 " and resid 40 and name HA ))
ASSI { 568}
(( segid "SH3 " and resid 52 and name HB2 ))
(( segid "SH3 " and resid 52 and name HA ))
2.700 0.900 0.900 peak 568 spectrum 1 weight 0.10000E+01 volume 0.48067E-02 ppm1 4.299 ppm2 1.670 CV 1
OR { 568}
(( segid "SH3 " and resid 52 and name HD1 ))
(( segid "SH3 " and resid 52 and name HA ))
ASSI { 569}
(( segid "SH3 " and resid 52 and name HG2 ))
(( segid "SH3 " and resid 52 and name HA ))
2.600 0.900 0.900 peak 569 spectrum 1 weight 0.10000E+01 volume 0.29732E-02 ppm1 4.303 ppm2 1.450 CV 1
ASSI { 572}
(( segid "SH3 " and resid 65 and name HB1 ))
(( segid "SH3 " and resid 65 and name HG2 ))
1.900 0.400 0.400 peak 572 spectrum 1 weight 0.10000E+01 volume 0.28741E-01 ppm1 1.590 ppm2 1.818 CV 1
OR { 572}
(( segid "SH3 " and resid 65 and name HB1 ))
(( segid "SH3 " and resid 65 and name HG1 ))
ASSI { 576}
(( segid "SH3 " and resid 61 and name HG12))
(( segid "SH3 " and resid 61 and name HG11))
1.900 0.400 0.400 peak 576 spectrum 1 weight 0.10000E+01 volume 0.14238E-01 ppm1 1.494 ppm2 1.196 CV 1
ASSI { 578}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 61 and name HG11))
2.700 0.900 0.900 peak 578 spectrum 1 weight 0.10000E+01 volume 0.24777E-02 ppm1 1.482 ppm2 0.810 CV 1
ASSI { 581}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 61 and name HG12))
3.000 1.100 1.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.21308E-02 ppm1 1.195 ppm2 0.815 CV 1
ASSI { 593}
(( segid "SH3 " and resid 59 and name HG1 ))
(( segid "SH3 " and resid 59 and name HA ))
3.400 1.400 1.400 peak 593 spectrum 1 weight 0.10000E+01 volume 0.10324E-02 ppm1 3.998 ppm2 2.242 CV 1
ASSI { 594}
(( segid "SH3 " and resid 59 and name HB1 ))
(( segid "SH3 " and resid 59 and name HA ))
2.600 0.800 0.800 peak 594 spectrum 1 weight 0.10000E+01 volume 0.38982E-02 ppm1 3.999 ppm2 2.040 CV 1
ASSI { 595}
(( segid "SH3 " and resid 59 and name HB2 ))
(( segid "SH3 " and resid 59 and name HA ))
2.500 0.800 0.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.57977E-02 ppm1 4.000 ppm2 1.828 CV 1
OR { 595}
(( segid "SH3 " and resid 59 and name HG2 ))
(( segid "SH3 " and resid 59 and name HA ))
ASSI { 597}
(( segid "SH3 " and resid 47 and name HB2 ))
( segid "SH3 " and resid 47 and name HD1%)
2.300 0.700 0.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.72348E-02 ppm1 1.103 ppm2 1.852 CV 1
OR { 597}
(( segid "SH3 " and resid 47 and name HB1 ))
( segid "SH3 " and resid 47 and name HD1%)
ASSI { 598}
(( segid "SH3 " and resid 52 and name HG1 ))
( segid "SH3 " and resid 47 and name HD1%)
3.100 1.200 1.200 peak 598 spectrum 1 weight 0.10000E+01 volume 0.16683E-02 ppm1 1.102 ppm2 1.497 CV 1
ASSI { 599}
(( segid "SH3 " and resid 52 and name HG2 ))
( segid "SH3 " and resid 47 and name HD1%)
3.800 1.800 1.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.11249E-02 ppm1 1.102 ppm2 1.417 CV 1
ASSI { 600}
(( segid "SH3 " and resid 23 and name HG ))
( segid "SH3 " and resid 47 and name HD1%)
3.200 1.300 1.300 peak 600 spectrum 1 weight 0.10000E+01 volume 0.12455E-02 ppm1 1.105 ppm2 1.347 CV 1
ASSI { 601}
( segid "SH3 " and resid 25 and name HG2%)
( segid "SH3 " and resid 47 and name HD1%)
2.800 1.000 1.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.32705E-02 ppm1 1.103 ppm2 0.888 CV 1
ASSI { 602}
( segid "SH3 " and resid 23 and name HD1%)
( segid "SH3 " and resid 47 and name HD1%)
2.700 0.900 0.900 peak 602 spectrum 1 weight 0.10000E+01 volume 0.29732E-02 ppm1 1.103 ppm2 0.702 CV 1
ASSI { 603}
( segid "SH3 " and resid 23 and name HD2%)
( segid "SH3 " and resid 47 and name HD1%)
3.000 1.100 1.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.26263E-02 ppm1 1.100 ppm2 0.594 CV 1
ASSI { 605}
( segid "SH3 " and resid 48 and name HG1%)
(( segid "SH3 " and resid 49 and name HA ))
3.300 1.400 1.400 peak 605 spectrum 1 weight 0.10000E+01 volume 0.10142E-02 ppm1 4.473 ppm2 0.623 CV 1
ASSI { 606}
(( segid "SH3 " and resid 31 and name HA ))
(( segid "SH3 " and resid 47 and name HA ))
2.600 0.800 0.800 peak 606 spectrum 1 weight 0.10000E+01 volume 0.36174E-02 ppm1 4.404 ppm2 5.306 CV 1
ASSI { 607}
( segid "SH3 " and resid 47 and name HD2%)
(( segid "SH3 " and resid 47 and name HA ))
2.300 0.700 0.700 peak 607 spectrum 1 weight 0.10000E+01 volume 0.60125E-02 ppm1 4.405 ppm2 1.013 CV 1
ASSI { 608}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 47 and name HA ))
2.500 0.800 0.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.38817E-02 ppm1 4.403 ppm2 0.676 CV 1
ASSI { 612}
(( segid "SH3 " and resid 32 and name HB2 ))
(( segid "SH3 " and resid 32 and name HA ))
3.400 1.500 1.500 peak 612 spectrum 1 weight 0.10000E+01 volume 0.94644E-03 ppm1 5.444 ppm2 2.633 CV 1
ASSI { 614}
( segid "SH3 " and resid 58 and name HB% )
(( segid "SH3 " and resid 42 and name HA ))
3.900 1.900 1.900 peak 614 spectrum 1 weight 0.10000E+01 volume 0.40964E-03 ppm1 4.835 ppm2 -0.242 CV 1
ASSI { 616}
(( segid "SH3 " and resid 18 and name HB1 ))
(( segid "SH3 " and resid 18 and name HA ))
2.500 0.800 0.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.64584E-02 ppm1 4.379 ppm2 2.166 CV 1
OR { 616}
(( segid "SH3 " and resid 18 and name HG2 ))
(( segid "SH3 " and resid 18 and name HA ))
ASSI { 618}
(( segid "SH3 " and resid 34 and name HB1 ))
(( segid "SH3 " and resid 34 and name HA ))
2.200 0.600 0.600 peak 618 spectrum 1 weight 0.10000E+01 volume 0.90183E-02 ppm1 4.223 ppm2 1.478 CV 1
OR { 618}
(( segid "SH3 " and resid 34 and name HG ))
(( segid "SH3 " and resid 34 and name HA ))
ASSI { 619}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 34 and name HA ))
3.800 1.800 1.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.79948E-03 ppm1 4.222 ppm2 0.804 CV 1
ASSI { 620}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 34 and name HA ))
2.500 0.800 0.800 peak 620 spectrum 1 weight 0.10000E+01 volume 0.50710E-02 ppm1 4.223 ppm2 0.710 CV 1
ASSI { 621}
(( segid "SH3 " and resid 27 and name HA ))
(( segid "SH3 " and resid 12 and name HA ))
3.600 1.600 1.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.59299E-03 ppm1 4.138 ppm2 3.337 CV 1
ASSI { 622}
(( segid "SH3 " and resid 12 and name HG1 ))
(( segid "SH3 " and resid 12 and name HA ))
3.900 1.900 1.900 peak 622 spectrum 1 weight 0.10000E+01 volume 0.67723E-03 ppm1 4.136 ppm2 2.060 CV 1
ASSI { 623}
(( segid "SH3 " and resid 12 and name HG2 ))
(( segid "SH3 " and resid 12 and name HA ))
3.000 1.100 1.100 peak 623 spectrum 1 weight 0.10000E+01 volume 0.14932E-02 ppm1 4.139 ppm2 1.913 CV 1
ASSI { 624}
(( segid "SH3 " and resid 12 and name HB1 ))
(( segid "SH3 " and resid 12 and name HA ))
2.300 0.700 0.700 peak 624 spectrum 1 weight 0.10000E+01 volume 0.65080E-02 ppm1 4.136 ppm2 1.409 CV 1
ASSI { 627}
(( segid "SH3 " and resid 55 and name HG ))
( segid "SH3 " and resid 55 and name HD2%)
2.600 0.900 0.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.33366E-02 ppm1 0.622 ppm2 1.752 CV 1
ASSI { 629}
(( segid "SH3 " and resid 42 and name HB1 ))
(( segid "SH3 " and resid 42 and name HA ))
2.700 0.900 0.900 peak 629 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 4.835 ppm2 2.974 CV 1
ASSI { 630}
(( segid "SH3 " and resid 42 and name HB2 ))
(( segid "SH3 " and resid 42 and name HA ))
3.100 1.200 1.200 peak 630 spectrum 1 weight 0.10000E+01 volume 0.17509E-02 ppm1 4.837 ppm2 2.846 CV 1
ASSI { 631}
(( segid "SH3 " and resid 42 and name HD1 ))
(( segid "SH3 " and resid 42 and name HA ))
3.600 1.600 1.600 peak 631 spectrum 1 weight 0.10000E+01 volume 0.66897E-03 ppm1 4.835 ppm2 -0.987 CV 1
OR { 631}
(( segid "SH3 " and resid 42 and name HE3 ))
(( segid "SH3 " and resid 42 and name HA ))
ASSI { 635}
( segid "SH3 " and resid 25 and name HG2%)
(( segid "SH3 " and resid 25 and name HG11))
3.100 1.200 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.25272E-02 ppm1 1.940 ppm2 0.883 CV 1
ASSI { 636}
( segid "SH3 " and resid 25 and name HG2%)
(( segid "SH3 " and resid 25 and name HG12))
2.600 0.800 0.800 peak 636 spectrum 1 weight 0.10000E+01 volume 0.28245E-02 ppm1 1.833 ppm2 0.884 CV 1
ASSI { 637}
(( segid "SH3 " and resid 42 and name HB1 ))
( segid "SH3 " and resid 55 and name HD2%)
4.100 2.100 1.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.38321E-03 ppm1 0.621 ppm2 2.962 CV 1
ASSI { 640}
(( segid "SH3 " and resid 55 and name HB1 ))
( segid "SH3 " and resid 55 and name HD2%)
2.700 0.900 0.900 peak 640 spectrum 1 weight 0.10000E+01 volume 0.48232E-02 ppm1 0.620 ppm2 1.641 CV 1
ASSI { 641}
(( segid "SH3 " and resid 55 and name HB2 ))
( segid "SH3 " and resid 55 and name HD2%)
2.600 0.800 0.800 peak 641 spectrum 1 weight 0.10000E+01 volume 0.36669E-02 ppm1 0.620 ppm2 1.496 CV 1
ASSI { 642}
( segid "SH3 " and resid 55 and name HD1%)
( segid "SH3 " and resid 55 and name HD2%)
2.000 0.500 0.500 peak 642 spectrum 1 weight 0.10000E+01 volume 0.18170E-01 ppm1 0.620 ppm2 0.820 CV 1
ASSI { 643}
(( segid "SH3 " and resid 30 and name HB1 ))
(( segid "SH3 " and resid 30 and name HA ))
2.300 0.700 0.700 peak 643 spectrum 1 weight 0.10000E+01 volume 0.63594E-02 ppm1 4.886 ppm2 1.728 CV 1
ASSI { 644}
(( segid "SH3 " and resid 30 and name HG1 ))
(( segid "SH3 " and resid 30 and name HA ))
2.900 1.100 1.100 peak 644 spectrum 1 weight 0.10000E+01 volume 0.21804E-02 ppm1 4.887 ppm2 1.423 CV 1
OR { 644}
(( segid "SH3 " and resid 30 and name HG2 ))
(( segid "SH3 " and resid 30 and name HA ))
ASSI { 645}
( segid "SH3 " and resid 10 and name HG2%)
(( segid "SH3 " and resid 30 and name HA ))
3.500 1.600 1.600 peak 645 spectrum 1 weight 0.10000E+01 volume 0.75321E-03 ppm1 4.885 ppm2 0.790 CV 1
OR { 645}
( segid "SH3 " and resid 10 and name HD1%)
(( segid "SH3 " and resid 30 and name HA ))
ASSI { 646}
(( segid "SH3 " and resid 30 and name HA ))
(( segid "SH3 " and resid 29 and name HA ))
4.000 2.000 2.000 peak 646 spectrum 1 weight 0.10000E+01 volume 0.54178E-03 ppm1 4.513 ppm2 4.883 CV 1
ASSI { 647}
(( segid "SH3 " and resid 29 and name HB1 ))
(( segid "SH3 " and resid 29 and name HA ))
2.500 0.800 0.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.44763E-02 ppm1 4.508 ppm2 2.774 CV 1
ASSI { 649}
(( segid "SH3 " and resid 65 and name HB1 ))
(( segid "SH3 " and resid 65 and name HA ))
2.200 0.600 0.600 peak 649 spectrum 1 weight 0.10000E+01 volume 0.10703E-01 ppm1 4.420 ppm2 1.816 CV 1
ASSI { 650}
(( segid "SH3 " and resid 65 and name HB2 ))
(( segid "SH3 " and resid 65 and name HA ))
2.600 0.800 0.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.47241E-02 ppm1 4.422 ppm2 1.714 CV 1
ASSI { 651}
(( segid "SH3 " and resid 65 and name HG2 ))
(( segid "SH3 " and resid 65 and name HA ))
2.700 0.900 0.900 peak 651 spectrum 1 weight 0.10000E+01 volume 0.34026E-02 ppm1 4.417 ppm2 1.592 CV 1
OR { 651}
(( segid "SH3 " and resid 65 and name HG1 ))
(( segid "SH3 " and resid 65 and name HA ))
ASSI { 657}
(( segid "SH3 " and resid 25 and name HG11))
(( segid "SH3 " and resid 25 and name HG12))
1.800 0.400 0.400 peak 657 spectrum 1 weight 0.10000E+01 volume 0.16848E-01 ppm1 1.834 ppm2 1.936 CV 1
ASSI { 659}
(( segid "SH3 " and resid 52 and name HE1 ))
(( segid "SH3 " and resid 52 and name HG1 ))
3.900 1.900 1.900 peak 659 spectrum 1 weight 0.10000E+01 volume 0.42946E-03 ppm1 1.505 ppm2 3.026 CV 1
OR { 659}
(( segid "SH3 " and resid 52 and name HE2 ))
(( segid "SH3 " and resid 52 and name HG1 ))
ASSI { 662}
(( segid "SH3 " and resid 44 and name HB1 ))
( segid "SH3 " and resid 34 and name HD1%)
3.300 1.300 1.300 peak 662 spectrum 1 weight 0.10000E+01 volume 0.95637E-03 ppm1 0.803 ppm2 2.739 CV 1
ASSI { 664}
(( segid "SH3 " and resid 46 and name HB2 ))
( segid "SH3 " and resid 34 and name HD1%)
2.600 0.900 0.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.33366E-02 ppm1 0.802 ppm2 1.974 CV 1
OR { 664}
(( segid "SH3 " and resid 46 and name HB1 ))
( segid "SH3 " and resid 34 and name HD1%)
ASSI { 665}
(( segid "SH3 " and resid 34 and name HB2 ))
( segid "SH3 " and resid 34 and name HD1%)
2.300 0.700 0.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.66071E-02 ppm1 0.802 ppm2 1.371 CV 1
ASSI { 666}
(( segid "SH3 " and resid 8 and name HB1 ))
(( segid "SH3 " and resid 8 and name HA ))
2.600 0.900 0.900 peak 666 spectrum 1 weight 0.10000E+01 volume 0.27750E-02 ppm1 5.266 ppm2 1.915 CV 1
ASSI { 667}
(( segid "SH3 " and resid 8 and name HB2 ))
(( segid "SH3 " and resid 8 and name HA ))
2.700 0.900 0.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.33531E-02 ppm1 5.267 ppm2 1.775 CV 1
OR { 667}
(( segid "SH3 " and resid 8 and name HG1 ))
(( segid "SH3 " and resid 8 and name HA ))
ASSI { 668}
(( segid "SH3 " and resid 8 and name HG2 ))
(( segid "SH3 " and resid 8 and name HA ))
2.700 0.900 0.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.25933E-02 ppm1 5.265 ppm2 1.614 CV 1
ASSI { 670}
(( segid "SH3 " and resid 60 and name HB1 ))
(( segid "SH3 " and resid 60 and name HA ))
2.700 0.900 0.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.24281E-02 ppm1 4.703 ppm2 3.436 CV 1
ASSI { 671}
(( segid "SH3 " and resid 12 and name HB2 ))
(( segid "SH3 " and resid 60 and name HA ))
3.000 1.100 1.100 peak 671 spectrum 1 weight 0.10000E+01 volume 0.14701E-02 ppm1 4.703 ppm2 1.348 CV 1
ASSI { 672}
( segid "SH3 " and resid 60 and name HD% )
(( segid "SH3 " and resid 60 and name HA ))
2.800 1.000 1.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.24281E-02 ppm1 4.703 ppm2 -1.206 CV 1
ASSI { 673}
( segid "SH3 " and resid 13 and name HE% )
(( segid "SH3 " and resid 60 and name HA ))
3.500 1.500 1.500 peak 673 spectrum 1 weight 0.10000E+01 volume 0.11232E-02 ppm1 4.701 ppm2 -1.348 CV 1
ASSI { 674}
( segid "SH3 " and resid 13 and name HD% )
(( segid "SH3 " and resid 60 and name HA ))
2.800 1.000 1.000 peak 674 spectrum 1 weight 0.10000E+01 volume 0.21308E-02 ppm1 4.704 ppm2 -1.475 CV 1
ASSI { 675}
(( segid "SH3 " and resid 35 and name HB1 ))
(( segid "SH3 " and resid 35 and name HA ))
2.800 1.000 1.000 peak 675 spectrum 1 weight 0.10000E+01 volume 0.20812E-02 ppm1 4.669 ppm2 2.757 CV 1
ASSI { 676}
(( segid "SH3 " and resid 35 and name HB2 ))
(( segid "SH3 " and resid 35 and name HA ))
2.700 0.900 0.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.34026E-02 ppm1 4.669 ppm2 2.559 CV 1
ASSI { 677}
(( segid "SH3 " and resid 27 and name HB2 ))
(( segid "SH3 " and resid 13 and name HA ))
3.000 1.100 1.100 peak 677 spectrum 1 weight 0.10000E+01 volume 0.18335E-02 ppm1 4.508 ppm2 3.529 CV 1
OR { 677}
(( segid "SH3 " and resid 27 and name HB1 ))
(( segid "SH3 " and resid 13 and name HA ))
ASSI { 678}
(( segid "SH3 " and resid 13 and name HB2 ))
(( segid "SH3 " and resid 13 and name HA ))
3.200 1.300 1.300 peak 678 spectrum 1 weight 0.10000E+01 volume 0.16683E-02 ppm1 4.512 ppm2 1.195 CV 1
ASSI { 679}
( segid "SH3 " and resid 13 and name HD% )
(( segid "SH3 " and resid 13 and name HA ))
3.000 1.100 1.100 peak 679 spectrum 1 weight 0.10000E+01 volume 0.18005E-02 ppm1 4.508 ppm2 -1.474 CV 1
ASSI { 680}
(( segid "SH3 " and resid 41 and name HB2 ))
(( segid "SH3 " and resid 41 and name HA ))
2.400 0.700 0.700 peak 680 spectrum 1 weight 0.10000E+01 volume 0.69209E-02 ppm1 4.440 ppm2 2.384 CV 1
OR { 680}
(( segid "SH3 " and resid 41 and name HB1 ))
(( segid "SH3 " and resid 41 and name HA ))
ASSI { 681}
( segid "SH3 " and resid 64 and name HG1%)
(( segid "SH3 " and resid 65 and name HA ))
3.000 1.100 1.100 peak 681 spectrum 1 weight 0.10000E+01 volume 0.19491E-02 ppm1 4.438 ppm2 0.874 CV 1
ASSI { 682}
( segid "SH3 " and resid 58 and name HB% )
(( segid "SH3 " and resid 41 and name HA ))
2.900 1.100 1.100 peak 682 spectrum 1 weight 0.10000E+01 volume 0.19326E-02 ppm1 4.439 ppm2 -0.242 CV 1
ASSI { 683}
(( segid "SH3 " and resid 38 and name HE2 ))
(( segid "SH3 " and resid 38 and name HG1 ))
3.400 1.500 1.500 peak 683 spectrum 1 weight 0.10000E+01 volume 0.77802E-03 ppm1 1.543 ppm2 2.948 CV 1
OR { 683}
(( segid "SH3 " and resid 38 and name HE1 ))
(( segid "SH3 " and resid 38 and name HG1 ))
ASSI { 686}
(( segid "SH3 " and resid 52 and name HA ))
(( segid "SH3 " and resid 52 and name HG1 ))
3.400 1.500 1.500 peak 686 spectrum 1 weight 0.10000E+01 volume 0.10010E-02 ppm1 1.507 ppm2 4.307 CV 1
ASSI { 687}
(( segid "SH3 " and resid 38 and name HA ))
(( segid "SH3 " and resid 38 and name HG2 ))
3.500 1.600 1.600 peak 687 spectrum 1 weight 0.10000E+01 volume 0.77306E-03 ppm1 1.409 ppm2 3.989 CV 1
ASSI { 689}
(( segid "SH3 " and resid 38 and name HB1 ))
(( segid "SH3 " and resid 38 and name HG2 ))
3.000 1.200 1.200 peak 689 spectrum 1 weight 0.10000E+01 volume 0.12917E-02 ppm1 1.403 ppm2 1.967 CV 1
ASSI { 690}
(( segid "SH3 " and resid 34 and name HG ))
( segid "SH3 " and resid 34 and name HD1%)
2.300 0.700 0.700 peak 690 spectrum 1 weight 0.10000E+01 volume 0.69209E-02 ppm1 0.803 ppm2 1.468 CV 1
OR { 690}
(( segid "SH3 " and resid 34 and name HB1 ))
( segid "SH3 " and resid 34 and name HD1%)
ASSI { 691}
(( segid "SH3 " and resid 23 and name HG ))
( segid "SH3 " and resid 23 and name HD2%)
2.400 0.700 0.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.50214E-02 ppm1 0.587 ppm2 1.351 CV 1
ASSI { 692}
(( segid "SH3 " and resid 55 and name HG ))
(( segid "SH3 " and resid 55 and name HA ))
3.400 1.400 1.400 peak 692 spectrum 1 weight 0.10000E+01 volume 0.11810E-02 ppm1 5.172 ppm2 1.757 CV 1
ASSI { 694}
(( segid "SH3 " and resid 55 and name HB2 ))
(( segid "SH3 " and resid 55 and name HA ))
2.800 1.000 1.000 peak 694 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 5.167 ppm2 1.496 CV 1
ASSI { 696}
( segid "SH3 " and resid 55 and name HD2%)
(( segid "SH3 " and resid 55 and name HA ))
3.700 1.700 1.700 peak 696 spectrum 1 weight 0.10000E+01 volume 0.55665E-03 ppm1 5.167 ppm2 0.621 CV 1
ASSI { 699}
(( segid "SH3 " and resid 46 and name HA ))
( segid "SH3 " and resid 23 and name HD2%)
3.400 1.500 1.500 peak 699 spectrum 1 weight 0.10000E+01 volume 0.71687E-03 ppm1 0.590 ppm2 5.231 CV 1
ASSI { 700}
( segid "SH3 " and resid 25 and name HG2%)
( segid "SH3 " and resid 23 and name HD2%)
2.300 0.700 0.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.69540E-02 ppm1 0.589 ppm2 0.885 CV 1
ASSI { 701}
(( segid "SH3 " and resid 53 and name HA ))
( segid "SH3 " and resid 23 and name HD2%)
3.100 1.200 1.200 peak 701 spectrum 1 weight 0.10000E+01 volume 0.11398E-02 ppm1 0.590 ppm2 5.848 CV 1
ASSI { 702}
(( segid "SH3 " and resid 23 and name HA ))
( segid "SH3 " and resid 23 and name HD2%)
4.500 2.500 1.500 peak 702 spectrum 1 weight 0.10000E+01 volume 0.40634E-03 ppm1 0.585 ppm2 4.578 CV 1
ASSI { 708}
( segid "SH3 " and resid 47 and name HD2%)
( segid "SH3 " and resid 23 and name HD2%)
3.200 1.300 1.300 peak 708 spectrum 1 weight 0.10000E+01 volume 0.15791E-02 ppm1 0.588 ppm2 1.010 CV 1
ASSI { 710}
(( segid "SH3 " and resid 22 and name HB2 ))
(( segid "SH3 " and resid 22 and name HA ))
2.300 0.700 0.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.93819E-02 ppm1 5.083 ppm2 2.243 CV 1
OR { 710}
(( segid "SH3 " and resid 22 and name HG1 ))
(( segid "SH3 " and resid 22 and name HA ))
ASSI { 711}
(( segid "SH3 " and resid 22 and name HG2 ))
(( segid "SH3 " and resid 22 and name HA ))
2.500 0.800 0.800 peak 711 spectrum 1 weight 0.10000E+01 volume 0.39147E-02 ppm1 5.082 ppm2 2.137 CV 1
ASSI { 713}
(( segid "SH3 " and resid 44 and name HB1 ))
(( segid "SH3 " and resid 44 and name HA ))
3.200 1.300 1.300 peak 713 spectrum 1 weight 0.10000E+01 volume 0.83745E-03 ppm1 5.019 ppm2 2.739 CV 1
ASSI { 714}
(( segid "SH3 " and resid 44 and name HB2 ))
(( segid "SH3 " and resid 44 and name HA ))
2.600 0.800 0.800 peak 714 spectrum 1 weight 0.10000E+01 volume 0.47571E-02 ppm1 5.021 ppm2 2.261 CV 1
ASSI { 715}
(( segid "SH3 " and resid 44 and name HG2 ))
(( segid "SH3 " and resid 44 and name HA ))
2.400 0.700 0.700 peak 715 spectrum 1 weight 0.10000E+01 volume 0.60455E-02 ppm1 5.020 ppm2 2.117 CV 1
OR { 715}
( segid "SH3 " and resid 44 and name HE% )
(( segid "SH3 " and resid 44 and name HA ))
ASSI { 717}
(( segid "SH3 " and resid 43 and name HB2 ))
(( segid "SH3 " and resid 58 and name HA ))
3.600 1.600 1.600 peak 717 spectrum 1 weight 0.10000E+01 volume 0.44433E-03 ppm1 2.267 ppm2 2.763 CV 1
ASSI { 718}
(( segid "SH3 " and resid 61 and name HG11))
(( segid "SH3 " and resid 58 and name HA ))
4.100 2.100 1.900 peak 718 spectrum 1 weight 0.10000E+01 volume 0.33531E-03 ppm1 2.265 ppm2 1.504 CV 1
ASSI { 720}
(( segid "SH3 " and resid 43 and name HE3 ))
(( segid "SH3 " and resid 58 and name HA ))
3.800 1.800 1.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.40799E-03 ppm1 2.269 ppm2 -1.037 CV 1
ASSI { 731}
(( segid "SH3 " and resid 45 and name HB2 ))
( segid "SH3 " and resid 56 and name HG1%)
2.900 1.100 1.100 peak 731 spectrum 1 weight 0.10000E+01 volume 0.19821E-02 ppm1 1.178 ppm2 2.685 CV 1
OR { 731}
(( segid "SH3 " and resid 45 and name HB1 ))
( segid "SH3 " and resid 56 and name HG1%)
ASSI { 735}
(( segid "SH3 " and resid 23 and name HB1 ))
( segid "SH3 " and resid 56 and name HG1%)
2.300 0.700 0.700 peak 735 spectrum 1 weight 0.10000E+01 volume 0.60620E-02 ppm1 1.178 ppm2 1.652 CV 1
ASSI { 736}
( segid "SH3 " and resid 56 and name HG2%)
( segid "SH3 " and resid 56 and name HG1%)
2.300 0.700 0.700 peak 736 spectrum 1 weight 0.10000E+01 volume 0.71026E-02 ppm1 1.176 ppm2 0.818 CV 1
ASSI { 738}
( segid "SH3 " and resid 23 and name HD2%)
( segid "SH3 " and resid 56 and name HG1%)
2.400 0.700 0.700 peak 738 spectrum 1 weight 0.10000E+01 volume 0.58308E-02 ppm1 1.177 ppm2 0.586 CV 1
ASSI { 741}
(( segid "SH3 " and resid 26 and name HA ))
(( segid "SH3 " and resid 14 and name HA ))
2.400 0.700 0.700 peak 741 spectrum 1 weight 0.10000E+01 volume 0.58803E-02 ppm1 4.402 ppm2 4.838 CV 1
ASSI { 744}
(( segid "SH3 " and resid 26 and name HB1 ))
(( segid "SH3 " and resid 14 and name HA ))
4.000 2.000 2.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.55830E-03 ppm1 4.401 ppm2 1.635 CV 1
OR { 744}
(( segid "SH3 " and resid 26 and name HB2 ))
(( segid "SH3 " and resid 14 and name HA ))
OR { 744}
(( segid "SH3 " and resid 26 and name HD1 ))
(( segid "SH3 " and resid 14 and name HA ))
ASSI { 745}
( segid "SH3 " and resid 11 and name HG2%)
(( segid "SH3 " and resid 14 and name HA ))
3.700 1.700 1.700 peak 745 spectrum 1 weight 0.10000E+01 volume 0.46415E-03 ppm1 4.404 ppm2 0.833 CV 1
ASSI { 750}
(( segid "SH3 " and resid 60 and name HB1 ))
( segid "SH3 " and resid 11 and name HG2%)
3.100 1.200 1.200 peak 750 spectrum 1 weight 0.10000E+01 volume 0.96302E-03 ppm1 0.828 ppm2 3.438 CV 1
ASSI { 753}
(( segid "SH3 " and resid 25 and name HB ))
( segid "SH3 " and resid 11 and name HG2%)
2.800 1.000 1.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.27419E-02 ppm1 0.828 ppm2 2.126 CV 1
ASSI { 754}
(( segid "SH3 " and resid 25 and name HG11))
( segid "SH3 " and resid 11 and name HG2%)
3.100 1.200 1.200 peak 754 spectrum 1 weight 0.10000E+01 volume 0.12323E-02 ppm1 0.827 ppm2 1.935 CV 1
ASSI { 758}
(( segid "SH3 " and resid 66 and name HB1 ))
(( segid "SH3 " and resid 66 and name HA ))
2.900 1.100 1.100 peak 758 spectrum 1 weight 0.10000E+01 volume 0.23620E-02 ppm1 4.556 ppm2 2.646 CV 1
ASSI { 759}
(( segid "SH3 " and resid 66 and name HB2 ))
(( segid "SH3 " and resid 66 and name HA ))
2.900 1.000 1.000 peak 759 spectrum 1 weight 0.10000E+01 volume 0.23125E-02 ppm1 4.556 ppm2 2.575 CV 1
ASSI { 761}
(( segid "SH3 " and resid 25 and name HB ))
( segid "SH3 " and resid 47 and name HD2%)
3.900 1.900 1.900 peak 761 spectrum 1 weight 0.10000E+01 volume 0.59299E-03 ppm1 1.015 ppm2 2.135 CV 1
ASSI { 762}
(( segid "SH3 " and resid 23 and name HG ))
( segid "SH3 " and resid 47 and name HD2%)
2.700 0.900 0.900 peak 762 spectrum 1 weight 0.10000E+01 volume 0.38651E-02 ppm1 1.016 ppm2 1.344 CV 1
ASSI { 763}
(( segid "SH3 " and resid 25 and name HG12))
( segid "SH3 " and resid 11 and name HG2%)
4.000 2.000 2.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.10571E-02 ppm1 0.829 ppm2 1.839 CV 1
ASSI { 766}
(( segid "SH3 " and resid 25 and name HA ))
( segid "SH3 " and resid 47 and name HD2%)
3.700 1.700 1.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.50545E-03 ppm1 1.011 ppm2 4.815 CV 1
ASSI { 768}
(( segid "SH3 " and resid 29 and name HB2 ))
( segid "SH3 " and resid 47 and name HD2%)
2.800 1.000 1.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.32210E-02 ppm1 1.015 ppm2 2.313 CV 1
ASSI { 770}
(( segid "SH3 " and resid 47 and name HG ))
( segid "SH3 " and resid 47 and name HD2%)
2.400 0.700 0.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.51866E-02 ppm1 1.013 ppm2 1.654 CV 1
ASSI { 771}
( segid "SH3 " and resid 31 and name HG1%)
( segid "SH3 " and resid 47 and name HD2%)
2.400 0.700 0.700 peak 771 spectrum 1 weight 0.10000E+01 volume 0.52362E-02 ppm1 1.014 ppm2 0.675 CV 1
ASSI { 773}
(( segid "SH3 " and resid 53 and name HA ))
( segid "SH3 " and resid 23 and name HD1%)
3.400 1.500 1.500 peak 773 spectrum 1 weight 0.10000E+01 volume 0.84409E-03 ppm1 0.706 ppm2 5.844 CV 1
ASSI { 777}
(( segid "SH3 " and resid 23 and name HG ))
( segid "SH3 " and resid 23 and name HD1%)
2.400 0.700 0.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.55830E-02 ppm1 0.707 ppm2 1.348 CV 1
ASSI { 778}
(( segid "SH3 " and resid 53 and name HA ))
(( segid "SH3 " and resid 46 and name HA ))
2.200 0.600 0.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.70531E-02 ppm1 5.229 ppm2 5.849 CV 1
ASSI { 780}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 46 and name HA ))
2.400 0.700 0.700 peak 780 spectrum 1 weight 0.10000E+01 volume 0.73339E-02 ppm1 5.227 ppm2 2.004 CV 1
OR { 780}
(( segid "SH3 " and resid 46 and name HG2 ))
(( segid "SH3 " and resid 46 and name HA ))
ASSI { 784}
(( segid "SH3 " and resid 16 and name HG1 ))
(( segid "SH3 " and resid 16 and name HA ))
3.200 1.200 1.200 peak 784 spectrum 1 weight 0.10000E+01 volume 0.12900E-02 ppm1 4.496 ppm2 2.415 CV 1
OR { 784}
(( segid "SH3 " and resid 16 and name HG2 ))
(( segid "SH3 " and resid 16 and name HA ))
ASSI { 785}
(( segid "SH3 " and resid 16 and name HB2 ))
(( segid "SH3 " and resid 16 and name HA ))
2.400 0.700 0.700 peak 785 spectrum 1 weight 0.10000E+01 volume 0.54839E-02 ppm1 4.499 ppm2 1.820 CV 1
OR { 785}
(( segid "SH3 " and resid 16 and name HB1 ))
(( segid "SH3 " and resid 16 and name HA ))
ASSI { 786}
( segid "SH3 " and resid 24 and name HG2%)
(( segid "SH3 " and resid 16 and name HA ))
2.400 0.700 0.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.57482E-02 ppm1 4.499 ppm2 1.306 CV 1
ASSI { 788}
(( segid "SH3 " and resid 26 and name HB1 ))
(( segid "SH3 " and resid 26 and name HA ))
2.500 0.800 0.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.55005E-02 ppm1 4.838 ppm2 1.638 CV 1
OR { 788}
(( segid "SH3 " and resid 26 and name HB2 ))
(( segid "SH3 " and resid 26 and name HA ))
ASSI { 789}
(( segid "SH3 " and resid 26 and name HG1 ))
(( segid "SH3 " and resid 26 and name HA ))
3.200 1.300 1.300 peak 789 spectrum 1 weight 0.10000E+01 volume 0.11463E-02 ppm1 4.837 ppm2 1.340 CV 1
OR { 789}
(( segid "SH3 " and resid 26 and name HG2 ))
(( segid "SH3 " and resid 26 and name HA ))
ASSI { 790}
(( segid "SH3 " and resid 23 and name HG ))
(( segid "SH3 " and resid 23 and name HA ))
3.000 1.200 1.200 peak 790 spectrum 1 weight 0.10000E+01 volume 0.16683E-02 ppm1 4.578 ppm2 1.348 CV 1
ASSI { 791}
( segid "SH3 " and resid 17 and name HB% )
(( segid "SH3 " and resid 23 and name HA ))
2.700 0.900 0.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.27750E-02 ppm1 4.576 ppm2 1.254 CV 1
ASSI { 792}
(( segid "SH3 " and resid 55 and name HA ))
( segid "SH3 " and resid 55 and name HD1%)
2.400 0.700 0.700 peak 792 spectrum 1 weight 0.10000E+01 volume 0.50875E-02 ppm1 0.823 ppm2 5.169 CV 1
ASSI { 793}
(( segid "SH3 " and resid 44 and name HA ))
( segid "SH3 " and resid 55 and name HD1%)
2.800 1.000 1.000 peak 793 spectrum 1 weight 0.10000E+01 volume 0.29401E-02 ppm1 0.824 ppm2 5.018 CV 1
ASSI { 794}
(( segid "SH3 " and resid 42 and name HA ))
( segid "SH3 " and resid 55 and name HD1%)
4.400 2.500 1.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.29236E-03 ppm1 0.823 ppm2 4.837 CV 1
ASSI { 795}
(( segid "SH3 " and resid 42 and name HB1 ))
( segid "SH3 " and resid 55 and name HD1%)
2.900 1.100 1.100 peak 795 spectrum 1 weight 0.10000E+01 volume 0.16683E-02 ppm1 0.826 ppm2 2.974 CV 1
ASSI { 796}
(( segid "SH3 " and resid 42 and name HB2 ))
( segid "SH3 " and resid 55 and name HD1%)
3.500 1.500 1.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.11067E-02 ppm1 0.823 ppm2 2.841 CV 1
ASSI { 798}
( segid "SH3 " and resid 44 and name HE% )
( segid "SH3 " and resid 55 and name HD1%)
2.800 0.900 0.900 peak 798 spectrum 1 weight 0.10000E+01 volume 0.24612E-02 ppm1 0.825 ppm2 2.100 CV 1
OR { 798}
(( segid "SH3 " and resid 44 and name HG2 ))
( segid "SH3 " and resid 55 and name HD1%)
ASSI { 799}
(( segid "SH3 " and resid 55 and name HG ))
( segid "SH3 " and resid 55 and name HD1%)
2.500 0.800 0.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.43938E-02 ppm1 0.826 ppm2 1.753 CV 1
ASSI { 800}
(( segid "SH3 " and resid 55 and name HB1 ))
( segid "SH3 " and resid 55 and name HD1%)
3.000 1.100 1.100 peak 800 spectrum 1 weight 0.10000E+01 volume 0.17839E-02 ppm1 0.824 ppm2 1.648 CV 1
ASSI { 801}
(( segid "SH3 " and resid 55 and name HB2 ))
( segid "SH3 " and resid 55 and name HD1%)
2.900 1.000 1.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.29236E-02 ppm1 0.823 ppm2 1.499 CV 1
ASSI { 802}
(( segid "SH3 " and resid 23 and name HB1 ))
(( segid "SH3 " and resid 23 and name HA ))
3.200 1.300 1.300 peak 802 spectrum 1 weight 0.10000E+01 volume 0.14668E-02 ppm1 4.579 ppm2 1.659 CV 1
ASSI { 803}
( segid "SH3 " and resid 23 and name HD1%)
(( segid "SH3 " and resid 23 and name HA ))
2.200 0.600 0.600 peak 803 spectrum 1 weight 0.10000E+01 volume 0.86716E-02 ppm1 4.578 ppm2 0.700 CV 1
ASSI { 804}
(( segid "SH3 " and resid 22 and name HB2 ))
(( segid "SH3 " and resid 17 and name HA ))
2.700 0.900 0.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.36504E-02 ppm1 3.796 ppm2 2.246 CV 1
ASSI { 805}
( segid "SH3 " and resid 17 and name HB% )
(( segid "SH3 " and resid 17 and name HA ))
2.300 0.700 0.700 peak 805 spectrum 1 weight 0.10000E+01 volume 0.72018E-02 ppm1 3.797 ppm2 1.247 CV 1
ASSI { 806}
( segid "SH3 " and resid 15 and name HD% )
(( segid "SH3 " and resid 17 and name HA ))
3.400 1.400 1.400 peak 806 spectrum 1 weight 0.10000E+01 volume 0.84898E-03 ppm1 3.792 ppm2 -0.529 CV 1
OR { 806}
(( segid "SH3 " and resid 15 and name HZ ))
(( segid "SH3 " and resid 17 and name HA ))
ASSI { 809}
(( segid "SH3 " and resid 10 and name HA ))
( segid "SH3 " and resid 11 and name HG1%)
4.000 2.000 2.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.98608E-03 ppm1 0.925 ppm2 4.883 CV 1
ASSI { 814}
(( segid "SH3 " and resid 25 and name HB ))
( segid "SH3 " and resid 11 and name HG1%)
2.300 0.600 0.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.72183E-02 ppm1 0.925 ppm2 2.125 CV 1
ASSI { 815}
(( segid "SH3 " and resid 25 and name HG11))
( segid "SH3 " and resid 11 and name HG1%)
3.500 1.600 1.600 peak 815 spectrum 1 weight 0.10000E+01 volume 0.71853E-03 ppm1 0.930 ppm2 1.940 CV 1
ASSI { 816}
(( segid "SH3 " and resid 25 and name HG12))
( segid "SH3 " and resid 11 and name HG1%)
4.300 2.300 1.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.38651E-03 ppm1 0.925 ppm2 1.826 CV 1
ASSI { 819}
( segid "SH3 " and resid 31 and name HG2%)
( segid "SH3 " and resid 11 and name HG1%)
2.500 0.800 0.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.63429E-02 ppm1 0.926 ppm2 0.562 CV 1
ASSI { 820}
( segid "SH3 " and resid 56 and name HG1%)
( segid "SH3 " and resid 55 and name HD1%)
3.100 3.100 2.900 peak 820 spectrum 1 weight 0.10000E+01 volume 0.84073E-03 ppm1 0.821 ppm2 1.182 CV 1
ASSI { 822}
(( segid "SH3 " and resid 25 and name HA ))
( segid "SH3 " and resid 24 and name HG2%)
3.200 1.300 1.300 peak 822 spectrum 1 weight 0.10000E+01 volume 0.10125E-02 ppm1 1.307 ppm2 4.807 CV 1
ASSI { 827}
(( segid "SH3 " and resid 16 and name HB2 ))
( segid "SH3 " and resid 24 and name HG2%)
3.800 1.900 1.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.67888E-03 ppm1 1.307 ppm2 1.820 CV 1
OR { 827}
(( segid "SH3 " and resid 16 and name HB1 ))
( segid "SH3 " and resid 24 and name HG2%)
ASSI { 828}
(( segid "SH3 " and resid 43 and name HB1 ))
(( segid "SH3 " and resid 43 and name HA ))
2.800 1.000 1.000 peak 828 spectrum 1 weight 0.10000E+01 volume 0.19821E-02 ppm1 5.447 ppm2 2.923 CV 1
ASSI { 830}
(( segid "SH3 " and resid 43 and name HB2 ))
(( segid "SH3 " and resid 43 and name HA ))
3.400 1.400 1.400 peak 830 spectrum 1 weight 0.10000E+01 volume 0.11595E-02 ppm1 5.449 ppm2 2.765 CV 1
ASSI { 832}
(( segid "SH3 " and resid 43 and name HA ))
(( segid "SH3 " and resid 36 and name HA ))
3.400 1.500 1.500 peak 832 spectrum 1 weight 0.10000E+01 volume 0.85234E-03 ppm1 4.025 ppm2 5.445 CV 1
ASSI { 833}
(( segid "SH3 " and resid 36 and name HB1 ))
(( segid "SH3 " and resid 36 and name HA ))
2.600 0.800 0.800 peak 833 spectrum 1 weight 0.10000E+01 volume 0.36008E-02 ppm1 4.027 ppm2 1.741 CV 1
ASSI { 834}
(( segid "SH3 " and resid 36 and name HB2 ))
(( segid "SH3 " and resid 36 and name HA ))
2.600 0.900 0.900 peak 834 spectrum 1 weight 0.10000E+01 volume 0.38651E-02 ppm1 4.027 ppm2 0.681 CV 1
ASSI { 836}
(( segid "SH3 " and resid 43 and name HD1 ))
(( segid "SH3 " and resid 36 and name HA ))
3.000 1.100 1.100 peak 836 spectrum 1 weight 0.10000E+01 volume 0.17178E-02 ppm1 4.027 ppm2 -0.747 CV 1
ASSI { 837}
(( segid "SH3 " and resid 63 and name HD1 ))
(( segid "SH3 " and resid 62 and name HA ))
2.300 0.700 0.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.59959E-02 ppm1 5.115 ppm2 4.198 CV 1
ASSI { 839}
(( segid "SH3 " and resid 62 and name HG2 ))
(( segid "SH3 " and resid 62 and name HA ))
2.900 1.000 1.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.21969E-02 ppm1 5.115 ppm2 2.130 CV 1
OR { 839}
(( segid "SH3 " and resid 62 and name HG1 ))
(( segid "SH3 " and resid 62 and name HA ))
ASSI { 840}
(( segid "SH3 " and resid 62 and name HB1 ))
(( segid "SH3 " and resid 62 and name HA ))
2.900 1.100 1.100 peak 840 spectrum 1 weight 0.10000E+01 volume 0.20977E-02 ppm1 5.116 ppm2 2.052 CV 1
ASSI { 841}
(( segid "SH3 " and resid 62 and name HB2 ))
(( segid "SH3 " and resid 62 and name HA ))
2.600 0.900 0.900 peak 841 spectrum 1 weight 0.10000E+01 volume 0.30889E-02 ppm1 5.116 ppm2 1.749 CV 1
ASSI { 844}
(( segid "SH3 " and resid 32 and name HB2 ))
( segid "SH3 " and resid 34 and name HD2%)
2.900 1.100 1.100 peak 844 spectrum 1 weight 0.10000E+01 volume 0.22134E-02 ppm1 0.707 ppm2 2.619 CV 1
ASSI { 845}
(( segid "SH3 " and resid 34 and name HG ))
( segid "SH3 " and resid 34 and name HD2%)
2.300 0.600 0.600 peak 845 spectrum 1 weight 0.10000E+01 volume 0.80445E-02 ppm1 0.706 ppm2 1.463 CV 1
OR { 845}
(( segid "SH3 " and resid 34 and name HB1 ))
( segid "SH3 " and resid 34 and name HD2%)
ASSI { 846}
(( segid "SH3 " and resid 6 and name HG1 ))
( segid "SH3 " and resid 34 and name HD2%)
2.900 1.100 1.100 peak 846 spectrum 1 weight 0.10000E+01 volume 0.21143E-02 ppm1 0.706 ppm2 1.190 CV 1
OR { 846}
(( segid "SH3 " and resid 6 and name HG2 ))
( segid "SH3 " and resid 34 and name HD2%)
ASSI { 847}
(( segid "SH3 " and resid 62 and name HG2 ))
(( segid "SH3 " and resid 63 and name HD1 ))
4.500 2.500 1.500 peak 847 spectrum 1 weight 0.10000E+01 volume 0.38156E-03 ppm1 4.198 ppm2 2.132 CV 1
OR { 847}
(( segid "SH3 " and resid 62 and name HG1 ))
(( segid "SH3 " and resid 63 and name HD1 ))
ASSI { 849}
(( segid "SH3 " and resid 63 and name HD2 ))
(( segid "SH3 " and resid 63 and name HD1 ))
1.800 0.400 0.400 peak 849 spectrum 1 weight 0.10000E+01 volume 0.16517E-01 ppm1 4.200 ppm2 3.844 CV 1
ASSI { 852}
(( segid "SH3 " and resid 62 and name HA ))
(( segid "SH3 " and resid 63 and name HD2 ))
2.400 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.52857E-02 ppm1 3.846 ppm2 5.115 CV 1
ASSI { 856}
(( segid "SH3 " and resid 63 and name HG2 ))
(( segid "SH3 " and resid 63 and name HD2 ))
2.800 1.000 1.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.16287E-02 ppm1 3.846 ppm2 1.943 CV 1
ASSI { 857}
(( segid "SH3 " and resid 63 and name HB2 ))
(( segid "SH3 " and resid 63 and name HD2 ))
2.900 1.000 1.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.22630E-02 ppm1 3.846 ppm2 1.868 CV 1
ASSI { 858}
(( segid "SH3 " and resid 31 and name HA ))
( segid "SH3 " and resid 31 and name HG1%)
2.400 0.700 0.700 peak 858 spectrum 1 weight 0.10000E+01 volume 0.49223E-02 ppm1 0.676 ppm2 5.312 CV 1
ASSI { 862}
(( segid "SH3 " and resid 29 and name HB2 ))
( segid "SH3 " and resid 31 and name HG1%)
3.500 1.500 1.500 peak 862 spectrum 1 weight 0.10000E+01 volume 0.66236E-03 ppm1 0.678 ppm2 2.309 CV 1
ASSI { 865}
(( segid "SH3 " and resid 10 and name HA ))
( segid "SH3 " and resid 64 and name HG1%)
3.600 3.600 2.400 peak 865 spectrum 1 weight 0.10000E+01 volume 0.66897E-03 ppm1 0.875 ppm2 4.866 CV 1
ASSI { 866}
(( segid "SH3 " and resid 56 and name HA ))
( segid "SH3 " and resid 56 and name HG2%)
3.400 1.500 1.500 peak 866 spectrum 1 weight 0.10000E+01 volume 0.10720E-02 ppm1 0.816 ppm2 4.768 CV 1
ASSI { 872}
(( segid "SH3 " and resid 64 and name HA ))
( segid "SH3 " and resid 64 and name HG1%)
2.800 1.000 1.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.28741E-02 ppm1 0.878 ppm2 4.044 CV 1
ASSI { 873}
(( segid "SH3 " and resid 64 and name HB ))
( segid "SH3 " and resid 64 and name HG2%)
2.100 0.500 0.500 peak 873 spectrum 1 weight 0.10000E+01 volume 0.14668E-01 ppm1 0.848 ppm2 1.875 CV 1
OR { 873}
(( segid "SH3 " and resid 64 and name HB ))
( segid "SH3 " and resid 64 and name HG1%)
ASSI { 876}
(( segid "SH3 " and resid 9 and name HA2 ))
( segid "SH3 " and resid 64 and name HG2%)
3.600 1.600 1.600 peak 876 spectrum 1 weight 0.10000E+01 volume 0.61447E-03 ppm1 0.839 ppm2 3.271 CV 1
OR { 876}
(( segid "SH3 " and resid 9 and name HA2 ))
( segid "SH3 " and resid 64 and name HG1%)
ASSI { 878}
(( segid "SH3 " and resid 10 and name HG11))
( segid "SH3 " and resid 64 and name HG1%)
2.700 0.900 0.900 peak 878 spectrum 1 weight 0.10000E+01 volume 0.26263E-02 ppm1 0.839 ppm2 1.400 CV 1
OR { 878}
(( segid "SH3 " and resid 10 and name HG11))
( segid "SH3 " and resid 64 and name HG2%)
ASSI { 880}
(( segid "SH3 " and resid 24 and name HA ))
( segid "SH3 " and resid 17 and name HB% )
3.800 1.800 1.800 peak 880 spectrum 1 weight 0.10000E+01 volume 0.39973E-03 ppm1 1.251 ppm2 4.913 CV 1
ASSI { 883}
(( segid "SH3 " and resid 22 and name HB2 ))
( segid "SH3 " and resid 17 and name HB% )
2.300 0.600 0.600 peak 883 spectrum 1 weight 0.10000E+01 volume 0.62602E-02 ppm1 1.251 ppm2 2.250 CV 1
ASSI { 884}
(( segid "SH3 " and resid 31 and name HA ))
( segid "SH3 " and resid 48 and name HG2%)
2.600 0.900 0.900 peak 884 spectrum 1 weight 0.10000E+01 volume 0.31384E-02 ppm1 0.170 ppm2 5.307 CV 1
ASSI { 887}
(( segid "SH3 " and resid 48 and name HB ))
( segid "SH3 " and resid 48 and name HG2%)
2.200 0.600 0.600 peak 887 spectrum 1 weight 0.10000E+01 volume 0.11117E-01 ppm1 0.171 ppm2 1.664 CV 1
ASSI { 888}
(( segid "SH3 " and resid 30 and name HG2 ))
( segid "SH3 " and resid 48 and name HG2%)
4.000 2.000 2.000 peak 888 spectrum 1 weight 0.10000E+01 volume 0.39973E-03 ppm1 0.171 ppm2 1.431 CV 1
OR { 888}
(( segid "SH3 " and resid 30 and name HG1 ))
( segid "SH3 " and resid 48 and name HG2%)
ASSI { 889}
( segid "SH3 " and resid 48 and name HG1%)
( segid "SH3 " and resid 48 and name HG2%)
2.300 0.600 0.600 peak 889 spectrum 1 weight 0.10000E+01 volume 0.90023E-02 ppm1 0.172 ppm2 0.622 CV 1
ASSI { 890}
( segid "SH3 " and resid 32 and name HD% )
( segid "SH3 " and resid 48 and name HG2%)
3.500 1.500 1.500 peak 890 spectrum 1 weight 0.10000E+01 volume 0.61281E-03 ppm1 0.171 ppm2 -1.065 CV 1
ASSI { 892}
(( segid "SH3 " and resid 31 and name HA ))
( segid "SH3 " and resid 48 and name HG1%)
4.600 2.600 1.400 peak 892 spectrum 1 weight 0.10000E+01 volume 0.51040E-03 ppm1 0.620 ppm2 5.310 CV 1
ASSI { 898}
( segid "SH3 " and resid 32 and name HD% )
( segid "SH3 " and resid 48 and name HG1%)
4.300 2.300 1.700 peak 898 spectrum 1 weight 0.10000E+01 volume 0.38982E-03 ppm1 0.623 ppm2 -1.073 CV 1
ASSI { 904}
(( segid "SH3 " and resid 57 and name HG1 ))
(( segid "SH3 " and resid 57 and name HD1 ))
2.800 1.000 1.000 peak 904 spectrum 1 weight 0.10000E+01 volume 0.15064E-02 ppm1 2.094 ppm2 0.233 CV 1
ASSI { 905}
(( segid "SH3 " and resid 57 and name HD2 ))
(( segid "SH3 " and resid 57 and name HD1 ))
1.700 0.400 0.500 peak 905 spectrum 1 weight 0.10000E+01 volume 0.23786E-01 ppm1 2.092 ppm2 1.976 CV 1
ASSI { 906}
(( segid "SH3 " and resid 56 and name HB ))
(( segid "SH3 " and resid 57 and name HD1 ))
3.000 1.100 1.100 peak 906 spectrum 1 weight 0.10000E+01 volume 0.40303E-02 ppm1 2.093 ppm2 1.803 CV 1
ASSI { 907}
(( segid "SH3 " and resid 57 and name HG2 ))
(( segid "SH3 " and resid 57 and name HD1 ))
3.300 1.400 1.400 peak 907 spectrum 1 weight 0.10000E+01 volume 0.12371E-02 ppm1 2.085 ppm2 0.033 CV 1
ASSI { 910}
(( segid "SH3 " and resid 56 and name HB ))
(( segid "SH3 " and resid 57 and name HD2 ))
2.500 0.800 0.800 peak 910 spectrum 1 weight 0.10000E+01 volume 0.34192E-02 ppm1 1.975 ppm2 1.799 CV 1
ASSI { 911}
(( segid "SH3 " and resid 57 and name HG1 ))
(( segid "SH3 " and resid 57 and name HD2 ))
3.400 1.500 1.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.12587E-02 ppm1 1.977 ppm2 0.230 CV 1
ASSI { 912}
(( segid "SH3 " and resid 57 and name HG2 ))
(( segid "SH3 " and resid 57 and name HD2 ))
2.900 1.000 1.000 peak 912 spectrum 1 weight 0.10000E+01 volume 0.13726E-02 ppm1 1.977 ppm2 0.033 CV 1
ASSI { 927}
(( segid "SH3 " and resid 23 and name HG ))
( segid "SH3 " and resid 25 and name HG2%)
2.400 0.700 0.700 peak 927 spectrum 1 weight 0.10000E+01 volume 0.45589E-02 ppm1 0.886 ppm2 1.351 CV 1
ASSI { 938}
(( segid "SH3 " and resid 11 and name HA ))
( segid "SH3 " and resid 61 and name HG2%)
4.400 2.400 1.600 peak 938 spectrum 1 weight 0.10000E+01 volume 0.33201E-03 ppm1 0.714 ppm2 4.075 CV 1
ASSI { 941}
(( segid "SH3 " and resid 61 and name HG12))
( segid "SH3 " and resid 61 and name HG2%)
3.200 1.300 1.300 peak 941 spectrum 1 weight 0.10000E+01 volume 0.26594E-02 ppm1 0.712 ppm2 1.197 CV 1
ASSI { 944}
(( segid "SH3 " and resid 63 and name HA ))
( segid "SH3 " and resid 61 and name HG2%)
3.900 1.900 1.900 peak 944 spectrum 1 weight 0.10000E+01 volume 0.41295E-03 ppm1 0.711 ppm2 4.673 CV 1
ASSI { 945}
(( segid "SH3 " and resid 61 and name HG11))
( segid "SH3 " and resid 61 and name HG2%)
2.800 1.000 1.000 peak 945 spectrum 1 weight 0.10000E+01 volume 0.18665E-02 ppm1 0.711 ppm2 1.493 CV 1
ASSI { 946}
(( segid "SH3 " and resid 33 and name HG11))
( segid "SH3 " and resid 61 and name HG2%)
3.700 1.700 1.700 peak 946 spectrum 1 weight 0.10000E+01 volume 0.99769E-03 ppm1 0.710 ppm2 1.328 CV 1
ASSI { 953}
(( segid "SH3 " and resid 33 and name HG11))
( segid "SH3 " and resid 31 and name HG2%)
3.100 1.200 1.200 peak 953 spectrum 1 weight 0.10000E+01 volume 0.13859E-02 ppm1 0.560 ppm2 1.338 CV 1
ASSI { 957}
(( segid "SH3 " and resid 36 and name HA ))
( segid "SH3 " and resid 33 and name HG2%)
4.300 2.300 1.700 peak 957 spectrum 1 weight 0.10000E+01 volume 0.37991E-03 ppm1 0.333 ppm2 4.026 CV 1
ASSI { 958}
(( segid "SH3 " and resid 43 and name HB1 ))
( segid "SH3 " and resid 33 and name HG2%)
3.100 1.200 1.200 peak 958 spectrum 1 weight 0.10000E+01 volume 0.11034E-02 ppm1 0.334 ppm2 2.922 CV 1
ASSI { 961}
(( segid "SH3 " and resid 33 and name HB ))
( segid "SH3 " and resid 33 and name HG2%)
2.300 0.700 0.700 peak 961 spectrum 1 weight 0.10000E+01 volume 0.60786E-02 ppm1 0.331 ppm2 1.479 CV 1
ASSI { 962}
(( segid "SH3 " and resid 33 and name HG11))
( segid "SH3 " and resid 33 and name HG2%)
3.400 1.500 1.500 peak 962 spectrum 1 weight 0.10000E+01 volume 0.17013E-02 ppm1 0.333 ppm2 1.342 CV 1
ASSI { 963}
(( segid "SH3 " and resid 33 and name HG12))
( segid "SH3 " and resid 33 and name HG2%)
2.800 1.000 1.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.19160E-02 ppm1 0.332 ppm2 0.870 CV 1
ASSI { 970}
(( segid "SH3 " and resid 55 and name HA ))
( segid "SH3 " and resid 44 and name HE% )
4.700 2.700 1.300 peak 970 spectrum 1 weight 0.10000E+01 volume 0.13991E-03 ppm1 2.086 ppm2 5.161 CV 1
ASSI { 972}
(( segid "SH3 " and resid 22 and name HG1 ))
(( segid "SH3 " and resid 55 and name HB2 ))
4.000 2.000 2.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.45754E-03 ppm1 1.493 ppm2 2.235 CV 1
OR { 972}
(( segid "SH3 " and resid 22 and name HB2 ))
(( segid "SH3 " and resid 55 and name HB2 ))
ASSI { 973}
(( segid "SH3 " and resid 42 and name HB1 ))
(( segid "SH3 " and resid 55 and name HB2 ))
4.500 2.500 1.500 peak 973 spectrum 1 weight 0.10000E+01 volume 0.39312E-03 ppm1 1.490 ppm2 2.970 CV 1
ASSI { 975}
( segid "SH3 " and resid 64 and name HG2%)
(( segid "SH3 " and resid 8 and name HD1 ))
3.800 1.800 1.800 peak 975 spectrum 1 weight 0.10000E+01 volume 0.24116E-03 ppm1 3.223 ppm2 0.850 CV 1
OR { 975}
( segid "SH3 " and resid 64 and name HG1%)
(( segid "SH3 " and resid 8 and name HD1 ))
ASSI { 976}
( segid "SH3 " and resid 32 and name HE% )
(( segid "SH3 " and resid 8 and name HD2 ))
4.400 2.400 1.600 peak 976 spectrum 1 weight 0.10000E+01 volume 0.19656E-03 ppm1 3.145 ppm2 -1.210 CV 1
ASSI { 977}
(( segid "SH3 " and resid 65 and name HA ))
(( segid "SH3 " and resid 65 and name HD2 ))
4.300 2.300 1.700 peak 977 spectrum 1 weight 0.10000E+01 volume 0.22630E-03 ppm1 3.156 ppm2 4.409 CV 1
OR { 977}
(( segid "SH3 " and resid 65 and name HA ))
(( segid "SH3 " and resid 65 and name HD1 ))
ASSI { 978}
(( segid "SH3 " and resid 8 and name HA ))
(( segid "SH3 " and resid 8 and name HD1 ))
4.400 2.400 1.600 peak 978 spectrum 1 weight 0.10000E+01 volume 0.33696E-03 ppm1 3.216 ppm2 5.272 CV 1
ASSI { 979}
(( segid "SH3 " and resid 11 and name HA ))
( segid "SH3 " and resid 25 and name HD1%)
4.500 2.600 1.500 peak 979 spectrum 1 weight 0.10000E+01 volume 0.36339E-03 ppm1 1.001 ppm2 4.088 CV 1
ASSI { 990}
(( segid "SH3 " and resid 26 and name HA ))
(( segid "SH3 " and resid 14 and name HB1 ))
4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.29401E-03 ppm1 2.624 ppm2 4.840 CV 1
ASSI { 991}
(( segid "SH3 " and resid 44 and name HG1 ))
(( segid "SH3 " and resid 34 and name HB1 ))
3.900 1.900 1.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.84898E-03 ppm1 1.482 ppm2 2.185 CV 1
ASSI { 993}
(( segid "SH3 " and resid 43 and name HE3 ))
( segid "SH3 " and resid 61 and name HD1%)
5.200 3.300 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.14602E-03 ppm1 0.644 ppm2 -1.044 CV 1
ASSI { 994}
( segid "SH3 " and resid 33 and name HG2%)
(( segid "SH3 " and resid 7 and name HE2 ))
3.800 1.800 1.800 peak 994 spectrum 1 weight 0.10000E+01 volume 0.27089E-03 ppm1 2.794 ppm2 0.331 CV 1
OR { 994}
( segid "SH3 " and resid 33 and name HG2%)
(( segid "SH3 " and resid 7 and name HE1 ))
ASSI { 996}
(( segid "SH3 " and resid 33 and name HG12))
(( segid "SH3 " and resid 33 and name HB ))
3.300 1.400 1.400 peak 996 spectrum 1 weight 0.10000E+01 volume 0.11579E-02 ppm1 1.474 ppm2 0.875 CV 1
ASSI { 997}
(( segid "SH3 " and resid 33 and name HA ))
(( segid "SH3 " and resid 33 and name HB ))
3.700 1.700 1.700 peak 997 spectrum 1 weight 0.10000E+01 volume 0.47075E-03 ppm1 1.483 ppm2 4.314 CV 1
ASSI { 998}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 53 and name HB1 ))
4.600 2.600 1.400 peak 998 spectrum 1 weight 0.10000E+01 volume 0.17839E-03 ppm1 3.800 ppm2 0.712 CV 1
ASSI { 999}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 53 and name HB2 ))
4.300 2.400 1.700 peak 999 spectrum 1 weight 0.10000E+01 volume 0.26924E-03 ppm1 3.652 ppm2 0.711 CV 1
ASSI { 1003}
(( segid "SH3 " and resid 22 and name HG1 ))
(( segid "SH3 " and resid 19 and name HB2 ))
3.600 1.600 1.600 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.59629E-03 ppm1 3.641 ppm2 2.228 CV 1
OR { 1003}
(( segid "SH3 " and resid 22 and name HB2 ))
(( segid "SH3 " and resid 19 and name HB2 ))
ASSI { 1004}
(( segid "SH3 " and resid 52 and name HG1 ))
(( segid "SH3 " and resid 50 and name HB1 ))
3.700 1.700 1.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.34357E-03 ppm1 3.993 ppm2 1.500 CV 1
ASSI { 1006}
( segid "SH3 " and resid 55 and name HD1%)
(( segid "SH3 " and resid 39 and name HB1 ))
3.800 1.800 1.800 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.25272E-03 ppm1 4.284 ppm2 0.776 CV 1
ASSI { 1008}
(( segid "SH3 " and resid 12 and name HB1 ))
(( segid "SH3 " and resid 12 and name HG1 ))
2.600 0.800 0.800 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.35843E-02 ppm1 2.059 ppm2 1.425 CV 1
ASSI { 1010}
(( segid "SH3 " and resid 19 and name HA ))
(( segid "SH3 " and resid 20 and name HG2 ))
4.600 2.600 1.400 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.17674E-03 ppm1 2.408 ppm2 4.631 CV 1
OR { 1010}
(( segid "SH3 " and resid 19 and name HA ))
(( segid "SH3 " and resid 20 and name HG1 ))
ASSI { 1013}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 45 and name HB1 ))
3.200 1.300 1.300 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.24777E-02 ppm1 2.733 ppm2 0.815 CV 1
ASSI { 1014}
( segid "SH3 " and resid 56 and name HG1%)
(( segid "SH3 " and resid 45 and name HB2 ))
3.400 1.500 1.500 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.70366E-03 ppm1 2.664 ppm2 1.176 CV 1
ASSI { 1015}
( segid "SH3 " and resid 25 and name HG2%)
(( segid "SH3 " and resid 24 and name HA ))
4.400 2.400 1.600 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.24942E-03 ppm1 4.910 ppm2 0.891 CV 1
ASSI { 1016}
(( segid "SH3 " and resid 30 and name HA ))
(( segid "SH3 " and resid 30 and name HB1 ))
2.700 0.900 0.900 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.27750E-02 ppm1 1.691 ppm2 4.885 CV 1
OR { 1016}
(( segid "SH3 " and resid 30 and name HA ))
(( segid "SH3 " and resid 30 and name HB2 ))
ASSI { 1017}
( segid "SH3 " and resid 48 and name HG2%)
(( segid "SH3 " and resid 30 and name HB1 ))
2.700 0.900 0.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.21804E-02 ppm1 1.745 ppm2 0.168 CV 1
ASSI { 1018}
( segid "SH3 " and resid 15 and name HE% )
(( segid "SH3 " and resid 22 and name HB2 ))
4.100 2.200 1.900 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.85234E-03 ppm1 2.256 ppm2 -0.634 CV 1
ASSI { 1019}
(( segid "SH3 " and resid 22 and name HA ))
(( segid "SH3 " and resid 22 and name HB1 ))
2.900 1.100 1.100 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.13693E-02 ppm1 2.327 ppm2 5.087 CV 1
ASSI { 1021}
( segid "SH3 " and resid 44 and name HE% )
(( segid "SH3 " and resid 44 and name HB1 ))
2.100 0.500 0.500 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.11843E-01 ppm1 2.741 ppm2 2.105 CV 1
OR { 1021}
(( segid "SH3 " and resid 44 and name HG2 ))
(( segid "SH3 " and resid 44 and name HB1 ))
ASSI { 1023}
(( segid "SH3 " and resid 57 and name HG1 ))
(( segid "SH3 " and resid 57 and name HA ))
3.800 1.900 1.900 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.40468E-03 ppm1 3.165 ppm2 0.228 CV 1
ASSI { 1024}
( segid "SH3 " and resid 58 and name HB% )
(( segid "SH3 " and resid 57 and name HA ))
5.000 3.100 1.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.26429E-03 ppm1 3.165 ppm2 -0.246 CV 1
ASSI { 1025}
(( segid "SH3 " and resid 65 and name HD2 ))
(( segid "SH3 " and resid 65 and name HB1 ))
4.000 2.000 2.000 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.32705E-03 ppm1 1.808 ppm2 3.154 CV 1
OR { 1025}
(( segid "SH3 " and resid 65 and name HD1 ))
(( segid "SH3 " and resid 65 and name HB1 ))
ASSI { 1028}
(( segid "SH3 " and resid 57 and name HD1 ))
(( segid "SH3 " and resid 57 and name HB1 ))
4.700 2.800 1.300 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.20317E-03 ppm1 0.919 ppm2 2.099 CV 1
ASSI { 1033}
(( segid "SH3 " and resid 45 and name HB1 ))
(( segid "SH3 " and resid 31 and name HA ))
5.500 3.800 0.500 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.13627E-03 ppm1 5.317 ppm2 2.727 CV 1
ASSI { 1038}
( segid "SH3 " and resid 11 and name HG1%)
(( segid "SH3 " and resid 61 and name HA ))
4.500 2.600 1.500 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.38486E-03 ppm1 4.422 ppm2 0.929 CV 1
ASSI { 1041}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 63 and name HG1 ))
4.100 2.100 1.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.19821E-03 ppm1 2.273 ppm2 0.642 CV 1
ASSI { 1043}
(( segid "SH3 " and resid 43 and name HH2 ))
(( segid "SH3 " and resid 63 and name HG1 ))
4.400 2.400 1.600 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.18500E-03 ppm1 2.263 ppm2 -0.857 CV 1
ASSI { 1044}
(( segid "SH3 " and resid 43 and name HZ3 ))
(( segid "SH3 " and resid 63 and name HG2 ))
4.600 2.700 1.400 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.22630E-03 ppm1 1.941 ppm2 -1.281 CV 1
ASSI { 1045}
(( segid "SH3 " and resid 62 and name HA ))
(( segid "SH3 " and resid 63 and name HG2 ))
5.400 3.600 0.600 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.21308E-03 ppm1 1.953 ppm2 5.117 CV 1
ASSI { 1046}
(( segid "SH3 " and resid 62 and name HA ))
(( segid "SH3 " and resid 63 and name HG1 ))
5.200 3.400 0.800 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.24612E-03 ppm1 2.264 ppm2 5.123 CV 1
ASSI { 1048}
(( segid "SH3 " and resid 22 and name HB1 ))
(( segid "SH3 " and resid 56 and name HA ))
4.100 2.100 1.900 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.27584E-03 ppm1 4.765 ppm2 2.271 CV 1
OR { 1048}
(( segid "SH3 " and resid 22 and name HB2 ))
(( segid "SH3 " and resid 56 and name HA ))
ASSI { 1050}
( segid "SH3 " and resid 25 and name HD1%)
(( segid "SH3 " and resid 56 and name HA ))
5.000 3.200 1.000 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.18005E-03 ppm1 4.765 ppm2 1.003 CV 1
ASSI { 1053}
(( segid "SH3 " and resid 42 and name HE3 ))
(( segid "SH3 " and resid 56 and name HA ))
3.600 1.600 1.600 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.50545E-03 ppm1 4.764 ppm2 -0.991 CV 1
ASSI { 1054}
( segid "SH3 " and resid 15 and name HD% )
(( segid "SH3 " and resid 56 and name HA ))
4.200 2.200 1.800 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.28741E-03 ppm1 4.766 ppm2 -0.529 CV 1
OR { 1054}
(( segid "SH3 " and resid 15 and name HZ ))
(( segid "SH3 " and resid 56 and name HA ))
ASSI { 1056}
(( segid "SH3 " and resid 57 and name HG1 ))
(( segid "SH3 " and resid 56 and name HA ))
5.400 3.600 0.600 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.18665E-03 ppm1 4.766 ppm2 0.217 CV 1
ASSI { 1057}
( segid "SH3 " and resid 58 and name HB% )
(( segid "SH3 " and resid 40 and name HA ))
4.000 2.000 2.000 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.18335E-03 ppm1 4.372 ppm2 -0.243 CV 1
ASSI { 1058}
(( segid "SH3 " and resid 47 and name HA ))
( segid "SH3 " and resid 47 and name HD1%)
4.400 2.400 1.600 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.38982E-03 ppm1 1.103 ppm2 4.403 CV 1
ASSI { 1059}
(( segid "SH3 " and resid 60 and name HB2 ))
(( segid "SH3 " and resid 61 and name HG11))
4.800 2.900 1.200 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.27419E-03 ppm1 1.490 ppm2 3.073 CV 1
ASSI { 1061}
(( segid "SH3 " and resid 43 and name HE3 ))
(( segid "SH3 " and resid 61 and name HG11))
4.200 2.200 1.800 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.20977E-03 ppm1 1.495 ppm2 -1.031 CV 1
ASSI { 1067}
(( segid "SH3 " and resid 20 and name HG2 ))
(( segid "SH3 " and resid 19 and name HA ))
5.500 3.700 0.500 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.84409E-04 ppm1 4.629 ppm2 2.403 CV 1
OR { 1067}
(( segid "SH3 " and resid 20 and name HG1 ))
(( segid "SH3 " and resid 19 and name HA ))
OR { 1067}
(( segid "SH3 " and resid 20 and name HB1 ))
(( segid "SH3 " and resid 19 and name HA ))
ASSI { 1070}
( segid "SH3 " and resid 58 and name HB% )
(( segid "SH3 " and resid 59 and name HA ))
4.300 2.300 1.700 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.22630E-03 ppm1 3.997 ppm2 -0.245 CV 1
ASSI { 1072}
(( segid "SH3 " and resid 8 and name HG2 ))
(( segid "SH3 " and resid 32 and name HA ))
4.200 2.200 1.800 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.28741E-03 ppm1 5.446 ppm2 1.606 CV 1
ASSI { 1075}
(( segid "SH3 " and resid 27 and name HB1 ))
(( segid "SH3 " and resid 12 and name HA ))
3.700 1.700 1.700 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.47406E-03 ppm1 4.138 ppm2 3.536 CV 1
OR { 1075}
(( segid "SH3 " and resid 27 and name HB2 ))
(( segid "SH3 " and resid 12 and name HA ))
ASSI { 1081}
( segid "SH3 " and resid 15 and name HD% )
(( segid "SH3 " and resid 25 and name HG11))
4.600 2.700 1.400 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.38651E-03 ppm1 1.933 ppm2 -0.531 CV 1
ASSI { 1083}
( segid "SH3 " and resid 56 and name HG1%)
(( segid "SH3 " and resid 25 and name HG12))
4.000 2.000 2.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.23786E-03 ppm1 1.831 ppm2 1.184 CV 1
ASSI { 1088}
(( segid "SH3 " and resid 30 and name HD2 ))
(( segid "SH3 " and resid 30 and name HA ))
2.700 0.900 0.900 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.31219E-02 ppm1 4.885 ppm2 1.603 CV 1
OR { 1088}
(( segid "SH3 " and resid 30 and name HD1 ))
(( segid "SH3 " and resid 30 and name HA ))
ASSI { 1089}
( segid "SH3 " and resid 31 and name HG2%)
(( segid "SH3 " and resid 30 and name HA ))
4.900 3.000 1.100 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.13924E-03 ppm1 4.887 ppm2 0.562 CV 1
ASSI { 1090}
( segid "SH3 " and resid 31 and name HG1%)
(( segid "SH3 " and resid 30 and name HA ))
4.400 2.400 1.600 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.17509E-03 ppm1 4.881 ppm2 0.666 CV 1
ASSI { 1091}
(( segid "SH3 " and resid 45 and name HA ))
( segid "SH3 " and resid 34 and name HD1%)
4.600 2.700 1.400 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.14338E-03 ppm1 0.803 ppm2 5.568 CV 1
ASSI { 1097}
(( segid "SH3 " and resid 13 and name HB2 ))
(( segid "SH3 " and resid 60 and name HA ))
4.200 2.200 1.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.22299E-03 ppm1 4.701 ppm2 1.195 CV 1
ASSI { 1099}
(( segid "SH3 " and resid 8 and name HD2 ))
(( segid "SH3 " and resid 8 and name HA ))
4.900 3.000 1.100 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.19326E-03 ppm1 5.268 ppm2 3.155 CV 1
ASSI { 1100}
(( segid "SH3 " and resid 33 and name HG11))
(( segid "SH3 " and resid 8 and name HA ))
3.900 1.900 1.900 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.34192E-03 ppm1 5.262 ppm2 1.342 CV 1
ASSI { 1102}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 8 and name HA ))
3.900 1.900 1.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.22465E-03 ppm1 5.267 ppm2 0.653 CV 1
ASSI { 1103}
( segid "SH3 " and resid 32 and name HE% )
(( segid "SH3 " and resid 8 and name HA ))
4.100 2.100 1.900 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.16848E-03 ppm1 5.266 ppm2 -1.200 CV 1
ASSI { 1104}
(( segid "SH3 " and resid 54 and name HA2 ))
(( segid "SH3 " and resid 22 and name HA ))
5.100 3.300 0.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.13759E-03 ppm1 5.080 ppm2 3.932 CV 1
ASSI { 1105}
( segid "SH3 " and resid 56 and name HG1%)
(( segid "SH3 " and resid 55 and name HA ))
4.200 2.200 1.800 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.26429E-03 ppm1 5.168 ppm2 1.169 CV 1
ASSI { 1106}
( segid "SH3 " and resid 17 and name HB% )
(( segid "SH3 " and resid 22 and name HA ))
4.800 2.900 1.200 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.25768E-03 ppm1 5.089 ppm2 1.248 CV 1
ASSI { 1107}
( segid "SH3 " and resid 55 and name HD2%)
(( segid "SH3 " and resid 22 and name HA ))
4.000 2.000 2.000 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.43111E-03 ppm1 5.084 ppm2 0.618 CV 1
ASSI { 1110}
( segid "SH3 " and resid 13 and name HE% )
(( segid "SH3 " and resid 13 and name HA ))
3.800 1.800 1.800 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.24116E-03 ppm1 4.507 ppm2 -1.355 CV 1
ASSI { 1112}
(( segid "SH3 " and resid 28 and name HA2 ))
(( segid "SH3 " and resid 29 and name HA ))
4.100 2.100 1.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.29072E-03 ppm1 4.507 ppm2 3.425 CV 1
ASSI { 1116}
(( segid "SH3 " and resid 47 and name HA ))
( segid "SH3 " and resid 23 and name HD2%)
4.500 2.500 1.500 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.27419E-03 ppm1 0.587 ppm2 4.405 CV 1
ASSI { 1117}
(( segid "SH3 " and resid 43 and name HB1 ))
(( segid "SH3 " and resid 58 and name HA ))
4.300 2.300 1.700 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.54509E-03 ppm1 2.262 ppm2 2.929 CV 1
ASSI { 1119}
(( segid "SH3 " and resid 61 and name HG12))
(( segid "SH3 " and resid 58 and name HA ))
4.200 2.200 1.800 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.20482E-03 ppm1 2.263 ppm2 1.203 CV 1
ASSI { 1120}
( segid "SH3 " and resid 56 and name HG2%)
(( segid "SH3 " and resid 58 and name HA ))
4.200 2.200 1.800 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.24942E-03 ppm1 2.269 ppm2 0.816 CV 1
ASSI { 1123}
(( segid "SH3 " and resid 13 and name HA ))
( segid "SH3 " and resid 11 and name HG2%)
4.600 2.600 1.400 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.16155E-03 ppm1 0.827 ppm2 4.501 CV 1
ASSI { 1127}
( segid "SH3 " and resid 64 and name HG1%)
(( segid "SH3 " and resid 66 and name HA ))
4.900 3.000 1.100 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.12323E-03 ppm1 4.559 ppm2 0.887 CV 1
ASSI { 1128}
(( segid "SH3 " and resid 20 and name HB1 ))
(( segid "SH3 " and resid 21 and name HA ))
4.300 2.300 1.700 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.26924E-03 ppm1 4.632 ppm2 2.413 CV 1
OR { 1128}
(( segid "SH3 " and resid 20 and name HG1 ))
(( segid "SH3 " and resid 21 and name HA ))
OR { 1128}
(( segid "SH3 " and resid 20 and name HG2 ))
(( segid "SH3 " and resid 21 and name HA ))
ASSI { 1129}
( segid "SH3 " and resid 48 and name HG2%)
( segid "SH3 " and resid 47 and name HD2%)
4.600 2.700 1.400 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.29401E-03 ppm1 1.012 ppm2 0.167 CV 1
ASSI { 1132}
(( segid "SH3 " and resid 46 and name HA ))
( segid "SH3 " and resid 23 and name HD1%)
4.600 2.600 1.400 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.20977E-03 ppm1 0.705 ppm2 5.227 CV 1
ASSI { 1133}
(( segid "SH3 " and resid 52 and name HA ))
( segid "SH3 " and resid 23 and name HD1%)
4.400 2.400 1.600 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.35348E-03 ppm1 0.705 ppm2 4.294 CV 1
ASSI { 1135}
(( segid "SH3 " and resid 54 and name HA2 ))
( segid "SH3 " and resid 23 and name HD1%)
3.900 1.900 1.900 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.21473E-03 ppm1 0.705 ppm2 3.939 CV 1
ASSI { 1136}
(( segid "SH3 " and resid 52 and name HE2 ))
( segid "SH3 " and resid 23 and name HD1%)
4.100 2.100 1.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.15758E-03 ppm1 0.704 ppm2 3.037 CV 1
OR { 1136}
(( segid "SH3 " and resid 52 and name HE1 ))
( segid "SH3 " and resid 23 and name HD1%)
ASSI { 1138}
( segid "SH3 " and resid 34 and name HD1%)
(( segid "SH3 " and resid 46 and name HA ))
4.500 2.500 1.500 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.24281E-03 ppm1 5.228 ppm2 0.803 CV 1
ASSI { 1139}
(( segid "SH3 " and resid 24 and name HB ))
(( segid "SH3 " and resid 16 and name HA ))
5.500 3.800 0.500 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.14668E-03 ppm1 4.493 ppm2 4.055 CV 1
ASSI { 1141}
(( segid "SH3 " and resid 43 and name HA ))
( segid "SH3 " and resid 55 and name HD1%)
4.500 2.600 1.500 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.14089E-03 ppm1 0.821 ppm2 5.445 CV 1
ASSI { 1142}
(( segid "SH3 " and resid 44 and name HB2 ))
( segid "SH3 " and resid 55 and name HD1%)
3.700 1.700 1.700 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.85066E-03 ppm1 0.821 ppm2 2.269 CV 1
ASSI { 1143}
(( segid "SH3 " and resid 42 and name HE3 ))
( segid "SH3 " and resid 55 and name HD1%)
4.700 2.700 1.300 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.16848E-03 ppm1 0.824 ppm2 -0.984 CV 1
ASSI { 1146}
(( segid "SH3 " and resid 27 and name HA ))
( segid "SH3 " and resid 11 and name HG1%)
4.000 2.000 2.000 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.24942E-03 ppm1 0.927 ppm2 3.329 CV 1
ASSI { 1151}
(( segid "SH3 " and resid 26 and name HE1 ))
( segid "SH3 " and resid 24 and name HG2%)
3.900 1.900 1.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.22134E-03 ppm1 1.313 ppm2 2.937 CV 1
OR { 1151}
(( segid "SH3 " and resid 26 and name HE2 ))
( segid "SH3 " and resid 24 and name HG2%)
ASSI { 1152}
(( segid "SH3 " and resid 43 and name HB1 ))
(( segid "SH3 " and resid 36 and name HA ))
4.300 2.300 1.700 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.15923E-03 ppm1 4.027 ppm2 2.914 CV 1
ASSI { 1154}
(( segid "SH3 " and resid 43 and name HH2 ))
(( segid "SH3 " and resid 36 and name HA ))
4.200 2.200 1.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.14437E-03 ppm1 4.028 ppm2 -0.903 CV 1
ASSI { 1155}
(( segid "SH3 " and resid 46 and name HB1 ))
( segid "SH3 " and resid 34 and name HD2%)
2.800 1.000 1.000 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.26759E-02 ppm1 0.705 ppm2 2.000 CV 1
ASSI { 1157}
(( segid "SH3 " and resid 35 and name HA ))
( segid "SH3 " and resid 34 and name HD2%)
5.300 3.500 0.700 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.92498E-04 ppm1 0.705 ppm2 4.698 CV 1
ASSI { 1158}
(( segid "SH3 " and resid 45 and name HA ))
( segid "SH3 " and resid 34 and name HD2%)
4.700 2.700 1.300 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.17674E-03 ppm1 0.710 ppm2 5.575 CV 1
ASSI { 1159}
(( segid "SH3 " and resid 63 and name HG1 ))
(( segid "SH3 " and resid 62 and name HA ))
4.600 2.700 1.400 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.36504E-03 ppm1 5.116 ppm2 2.260 CV 1
OR { 1159}
(( segid "SH3 " and resid 63 and name HB1 ))
(( segid "SH3 " and resid 62 and name HA ))
ASSI { 1160}
(( segid "SH3 " and resid 63 and name HA ))
(( segid "SH3 " and resid 63 and name HD1 ))
4.200 2.200 1.800 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.20647E-03 ppm1 4.197 ppm2 4.665 CV 1
ASSI { 1161}
(( segid "SH3 " and resid 63 and name HA ))
(( segid "SH3 " and resid 63 and name HD2 ))
4.400 2.400 1.600 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.22465E-03 ppm1 3.846 ppm2 4.669 CV 1
ASSI { 1162}
(( segid "SH3 " and resid 62 and name HB2 ))
(( segid "SH3 " and resid 63 and name HD2 ))
4.500 2.600 1.500 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.31219E-03 ppm1 3.845 ppm2 1.756 CV 1
ASSI { 1163}
(( segid "SH3 " and resid 62 and name HB2 ))
(( segid "SH3 " and resid 63 and name HD1 ))
5.200 3.400 0.800 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.16452E-03 ppm1 4.195 ppm2 1.756 CV 1
ASSI { 1164}
(( segid "SH3 " and resid 63 and name HB2 ))
(( segid "SH3 " and resid 63 and name HD1 ))
4.000 2.000 2.000 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.66236E-03 ppm1 4.198 ppm2 1.858 CV 1
ASSI { 1165}
( segid "SH3 " and resid 61 and name HG2%)
(( segid "SH3 " and resid 63 and name HD2 ))
5.200 3.400 0.800 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.15923E-03 ppm1 3.850 ppm2 0.707 CV 1
ASSI { 1166}
( segid "SH3 " and resid 33 and name HD1%)
(( segid "SH3 " and resid 63 and name HD1 ))
4.500 2.500 1.500 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.15560E-03 ppm1 4.202 ppm2 0.653 CV 1
ASSI { 1167}
(( segid "SH3 " and resid 43 and name HH2 ))
(( segid "SH3 " and resid 63 and name HD1 ))
4.800 2.800 1.200 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.12141E-03 ppm1 4.207 ppm2 -0.862 CV 1
ASSI { 1169}
( segid "SH3 " and resid 58 and name HB% )
( segid "SH3 " and resid 56 and name HG2%)
5.100 3.300 0.900 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.98280E-04 ppm1 0.813 ppm2 -0.248 CV 1
ASSI { 1175}
(( segid "SH3 " and resid 30 and name HA ))
( segid "SH3 " and resid 48 and name HG2%)
4.700 2.700 1.300 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.18335E-03 ppm1 0.165 ppm2 4.891 CV 1
ASSI { 1176}
(( segid "SH3 " and resid 32 and name HA ))
( segid "SH3 " and resid 48 and name HG2%)
4.000 2.000 2.000 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.38817E-03 ppm1 0.169 ppm2 5.433 CV 1
ASSI { 1178}
(( segid "SH3 " and resid 16 and name HA ))
( segid "SH3 " and resid 17 and name HB% )
4.500 2.500 1.500 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.33696E-03 ppm1 1.248 ppm2 4.487 CV 1
ASSI { 1179}
(( segid "SH3 " and resid 18 and name HA ))
( segid "SH3 " and resid 17 and name HB% )
4.500 2.500 1.500 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.19821E-03 ppm1 1.249 ppm2 4.379 CV 1
ASSI { 1180}
(( segid "SH3 " and resid 20 and name HA ))
( segid "SH3 " and resid 17 and name HB% )
4.900 3.000 1.100 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.97783E-04 ppm1 1.247 ppm2 4.184 CV 1
ASSI { 1181}
(( segid "SH3 " and resid 24 and name HB ))
( segid "SH3 " and resid 17 and name HB% )
4.600 2.700 1.400 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.21638E-03 ppm1 1.247 ppm2 4.050 CV 1
ASSI { 1182}
( segid "SH3 " and resid 15 and name HD% )
( segid "SH3 " and resid 17 and name HB% )
3.900 1.900 1.900 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.40799E-03 ppm1 1.247 ppm2 -0.538 CV 1
OR { 1182}
(( segid "SH3 " and resid 15 and name HZ ))
( segid "SH3 " and resid 17 and name HB% )
ASSI { 1185}
(( segid "SH3 " and resid 49 and name HB1 ))
( segid "SH3 " and resid 48 and name HG1%)
4.000 2.000 2.000 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.21804E-03 ppm1 0.621 ppm2 2.681 CV 1
OR { 1185}
(( segid "SH3 " and resid 49 and name HB2 ))
( segid "SH3 " and resid 48 and name HG1%)
ASSI { 1188}
(( segid "SH3 " and resid 60 and name HB2 ))
(( segid "SH3 " and resid 57 and name HD1 ))
4.500 2.500 1.500 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.39808E-03 ppm1 2.087 ppm2 3.072 CV 1
ASSI { 1189}
( segid "SH3 " and resid 56 and name HG1%)
(( segid "SH3 " and resid 57 and name HD1 ))
4.100 2.100 1.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.52692E-03 ppm1 2.088 ppm2 1.178 CV 1
ASSI { 1190}
( segid "SH3 " and resid 56 and name HG1%)
(( segid "SH3 " and resid 57 and name HD2 ))
4.400 2.400 1.600 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.28576E-03 ppm1 1.979 ppm2 1.176 CV 1
ASSI { 1191}
( segid "SH3 " and resid 25 and name HD1%)
(( segid "SH3 " and resid 57 and name HD1 ))
4.100 2.100 1.900 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.53022E-03 ppm1 2.095 ppm2 0.994 CV 1
ASSI { 1192}
(( segid "SH3 " and resid 57 and name HB2 ))
(( segid "SH3 " and resid 57 and name HD1 ))
3.800 1.800 1.800 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.75156E-03 ppm1 2.087 ppm2 0.354 CV 1
ASSI { 1193}
(( segid "SH3 " and resid 15 and name HZ ))
(( segid "SH3 " and resid 57 and name HD2 ))
4.300 2.300 1.700 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.21804E-03 ppm1 1.982 ppm2 -0.525 CV 1
OR { 1193}
( segid "SH3 " and resid 15 and name HD% )
(( segid "SH3 " and resid 57 and name HD2 ))
ASSI { 1194}
( segid "SH3 " and resid 15 and name HD% )
(( segid "SH3 " and resid 57 and name HD1 ))
4.300 2.300 1.700 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.18500E-03 ppm1 2.087 ppm2 -0.534 CV 1
OR { 1194}
(( segid "SH3 " and resid 15 and name HZ ))
(( segid "SH3 " and resid 57 and name HD1 ))
ASSI { 1196}
(( segid "SH3 " and resid 29 and name HB1 ))
( segid "SH3 " and resid 25 and name HG2%)
4.500 2.500 1.500 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.22794E-03 ppm1 0.882 ppm2 2.760 CV 1
ASSI { 1197}
(( segid "SH3 " and resid 15 and name HB2 ))
( segid "SH3 " and resid 25 and name HG2%)
5.600 3.900 0.400 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.17344E-03 ppm1 0.887 ppm2 3.006 CV 1
ASSI { 1198}
( segid "SH3 " and resid 56 and name HG1%)
( segid "SH3 " and resid 25 and name HG2%)
2.500 0.800 0.800 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.50875E-02 ppm1 0.887 ppm2 1.177 CV 1
ASSI { 1201}
(( segid "SH3 " and resid 45 and name HA ))
( segid "SH3 " and resid 31 and name HG2%)
5.600 3.900 0.400 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.74330E-04 ppm1 0.560 ppm2 5.567 CV 1
ASSI { 1205}
(( segid "SH3 " and resid 43 and name HH2 ))
( segid "SH3 " and resid 61 and name HG2%)
4.500 2.600 1.500 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.26924E-03 ppm1 0.713 ppm2 -0.852 CV 1
ASSI { 1207}
(( segid "SH3 " and resid 45 and name HA ))
( segid "SH3 " and resid 33 and name HG2%)
4.900 3.000 1.100 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.16352E-03 ppm1 0.334 ppm2 5.570 CV 1
ASSI { 1213}
( segid "SH3 " and resid 44 and name HE% )
( segid "SH3 " and resid 55 and name HD2%)
3.900 1.900 1.900 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.40138E-03 ppm1 0.619 ppm2 2.099 CV 1
OR { 1213}
(( segid "SH3 " and resid 44 and name HG2 ))
( segid "SH3 " and resid 55 and name HD2%)
ASSI { 1214}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 53 and name HA ))
4.000 2.000 2.000 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.10456E-02 ppm1 -0.360 ppm2 2.009 CV 1
OR { 1214}
(( segid "SH3 " and resid 46 and name HG2 ))
(( segid "SH3 " and resid 53 and name HA ))
ASSI { 1215}
(( segid "SH3 " and resid 68 and name HA ))
(( segid "SH3 " and resid 68 and name HD1 ))
4.700 2.800 1.300 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.21308E-03 ppm1 1.222 ppm2 4.263 CV 1
ASSI { 1217}
( segid "SH3 " and resid 61 and name HG2%)
(( segid "SH3 " and resid 68 and name HD2 ))
4.300 2.300 1.700 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.20977E-03 ppm1 1.115 ppm2 0.710 CV 1
ASSI { 1218}
(( segid "SH3 " and resid 68 and name HA ))
(( segid "SH3 " and resid 68 and name HD2 ))
4.500 2.500 1.500 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.23455E-03 ppm1 1.114 ppm2 4.267 CV 1
ASSI { 1222}
(( segid "SH3 " and resid 22 and name HG1 ))
(( segid "SH3 " and resid 19 and name HB1 ))
4.300 2.300 1.700 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.19987E-03 ppm1 3.933 ppm2 2.240 CV 1
OR { 1222}
(( segid "SH3 " and resid 22 and name HB2 ))
(( segid "SH3 " and resid 19 and name HB1 ))
ASSI { 1223}
(( segid "SH3 " and resid 47 and name HB2 ))
(( segid "SH3 " and resid 50 and name HB2 ))
4.600 2.600 1.400 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.20812E-03 ppm1 3.824 ppm2 1.840 CV 1
OR { 1223}
(( segid "SH3 " and resid 47 and name HB1 ))
(( segid "SH3 " and resid 50 and name HB2 ))
ASSI { 1224}
(( segid "SH3 " and resid 52 and name HG1 ))
(( segid "SH3 " and resid 50 and name HB2 ))
4.500 2.500 1.500 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.16253E-03 ppm1 3.829 ppm2 1.507 CV 1
ASSI { 1225}
( segid "SH3 " and resid 47 and name HD1%)
(( segid "SH3 " and resid 50 and name HB2 ))
4.900 3.000 1.100 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.10621E-03 ppm1 3.824 ppm2 1.103 CV 1
ASSI { 1226}
( segid "SH3 " and resid 47 and name HD1%)
(( segid "SH3 " and resid 50 and name HB1 ))
5.400 3.600 0.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.57647E-04 ppm1 3.993 ppm2 1.107 CV 1
ASSI { 1227}
(( segid "SH3 " and resid 52 and name HD2 ))
(( segid "SH3 " and resid 50 and name HB1 ))
4.900 3.000 1.100 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.98280E-04 ppm1 3.993 ppm2 1.703 CV 1
OR { 1227}
(( segid "SH3 " and resid 52 and name HD1 ))
(( segid "SH3 " and resid 50 and name HB1 ))
ASSI { 1228}
(( segid "SH3 " and resid 52 and name HD2 ))
(( segid "SH3 " and resid 50 and name HB2 ))
5.200 3.300 0.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.82752E-04 ppm1 3.821 ppm2 1.703 CV 1
OR { 1228}
(( segid "SH3 " and resid 52 and name HD1 ))
(( segid "SH3 " and resid 50 and name HB2 ))
ASSI { 1229}
(( segid "SH3 " and resid 53 and name HB2 ))
(( segid "SH3 " and resid 46 and name HB1 ))
5.700 4.100 0.300 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.14569E-03 ppm1 2.016 ppm2 3.659 CV 1
ASSI { 1230}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 46 and name HB2 ))
3.900 1.900 1.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.35678E-03 ppm1 1.935 ppm2 0.712 CV 1
ASSI { 1231}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 46 and name HB2 ))
3.700 1.700 1.700 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.47902E-03 ppm1 1.992 ppm2 0.701 CV 1
OR { 1231}
( segid "SH3 " and resid 34 and name HD2%)
(( segid "SH3 " and resid 46 and name HB1 ))
ASSI { 1234}
(( segid "SH3 " and resid 53 and name HB2 ))
(( segid "SH3 " and resid 46 and name HG2 ))
3.600 1.600 1.600 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.37991E-03 ppm1 2.027 ppm2 3.651 CV 1
ASSI { 1236}
(( segid "SH3 " and resid 42 and name HE3 ))
(( segid "SH3 " and resid 57 and name HA ))
3.900 1.900 1.900 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.36174E-03 ppm1 3.158 ppm2 -0.984 CV 1
OR { 1236}
(( segid "SH3 " and resid 42 and name HD1 ))
(( segid "SH3 " and resid 57 and name HA ))
ASSI { 1238}
(( segid "SH3 " and resid 60 and name HA ))
(( segid "SH3 " and resid 12 and name HB1 ))
3.900 1.900 1.900 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.20482E-03 ppm1 1.416 ppm2 4.695 CV 1
ASSI { 1245}
( segid "SH3 " and resid 61 and name HD1%)
(( segid "SH3 " and resid 60 and name HB1 ))
4.000 2.000 2.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.28245E-03 ppm1 3.439 ppm2 0.641 CV 1
ASSI { 1247}
( segid "SH3 " and resid 25 and name HD1%)
(( segid "SH3 " and resid 60 and name HB2 ))
3.600 1.700 1.700 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.69540E-03 ppm1 3.077 ppm2 1.003 CV 1
ASSI { 1250}
(( segid "SH3 " and resid 63 and name HD1 ))
( segid "SH3 " and resid 61 and name HG2%)
4.000 2.000 2.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.22134E-03 ppm1 0.713 ppm2 4.202 CV 1
ASSI { 1251}
(( segid "SH3 " and resid 61 and name HA ))
( segid "SH3 " and resid 31 and name HG2%)
4.400 2.400 1.600 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.37000E-03 ppm1 0.563 ppm2 4.417 CV 1
ASSI { 1252}
(( segid "SH3 " and resid 61 and name HG11))
( segid "SH3 " and resid 31 and name HG2%)
4.700 2.800 1.300 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.16138E-03 ppm1 0.561 ppm2 1.481 CV 1
ASSI { 1}
(( segid "UBI " and resid 44 and name HA ))
(( segid "UBI " and resid 50 and name HN ))
3.300 1.400 1.400 peak 1 spectrum 1 weight 0.10000E+01 volume 0.95553E-03 ppm1 8.503 ppm2 5.020 CV 1
ASSI { 2}
(( segid "UBI " and resid 49 and name HA ))
(( segid "UBI " and resid 50 and name HN ))
2.300 0.600 0.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.73868E-02 ppm1 8.500 ppm2 4.617 CV 1
ASSI { 3}
(( segid "UBI " and resid 50 and name HA ))
(( segid "UBI " and resid 50 and name HN ))
2.900 1.100 1.100 peak 3 spectrum 1 weight 0.10000E+01 volume 0.16942E-02 ppm1 8.500 ppm2 3.943 CV 1
ASSI { 4}
(( segid "UBI " and resid 49 and name HG1 ))
(( segid "UBI " and resid 50 and name HN ))
3.800 1.900 1.900 peak 4 spectrum 1 weight 0.10000E+01 volume 0.88404E-03 ppm1 8.500 ppm2 2.256 CV 1
ASSI { 5}
(( segid "UBI " and resid 49 and name HB1 ))
(( segid "UBI " and resid 50 and name HN ))
3.500 1.600 1.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.11200E-02 ppm1 8.500 ppm2 2.000 CV 1
OR { 5}
(( segid "UBI " and resid 49 and name HB2 ))
(( segid "UBI " and resid 50 and name HN ))
ASSI { 6}
(( segid "UBI " and resid 50 and name HB1 ))
(( segid "UBI " and resid 50 and name HN ))
2.300 0.700 0.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.93644E-02 ppm1 8.500 ppm2 1.448 CV 1
OR { 6}
(( segid "UBI " and resid 50 and name HG ))
(( segid "UBI " and resid 50 and name HN ))
ASSI { 7}
(( segid "UBI " and resid 50 and name HB2 ))
(( segid "UBI " and resid 50 and name HN ))
3.000 1.100 1.100 peak 7 spectrum 1 weight 0.10000E+01 volume 0.12224E-02 ppm1 8.500 ppm2 0.953 CV 1
ASSI { 8}
( segid "UBI " and resid 50 and name HD1%)
(( segid "UBI " and resid 50 and name HN ))
3.300 1.300 1.300 peak 8 spectrum 1 weight 0.10000E+01 volume 0.12415E-02 ppm1 8.499 ppm2 0.482 CV 1
ASSI { 9}
( segid "UBI " and resid 50 and name HD2%)
(( segid "UBI " and resid 50 and name HN ))
3.500 1.500 1.500 peak 9 spectrum 1 weight 0.10000E+01 volume 0.96981E-03 ppm1 8.498 ppm2 -0.173 CV 1
ASSI { 12}
(( segid "UBI " and resid 49 and name HG2 ))
(( segid "UBI " and resid 50 and name HN ))
3.700 1.800 1.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.74583E-03 ppm1 8.499 ppm2 2.181 CV 1
ASSI { 14}
(( segid "UBI " and resid 48 and name HN ))
(( segid "UBI " and resid 45 and name HN ))
3.200 1.200 1.200 peak 14 spectrum 1 weight 0.10000E+01 volume 0.11962E-02 ppm1 8.859 ppm2 7.877 CV 1
ASSI { 15}
(( segid "UBI " and resid 44 and name HA ))
(( segid "UBI " and resid 45 and name HN ))
2.200 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.87930E-02 ppm1 8.859 ppm2 5.022 CV 1
ASSI { 17}
(( segid "UBI " and resid 45 and name HB1 ))
(( segid "UBI " and resid 45 and name HN ))
3.100 1.200 1.200 peak 17 spectrum 1 weight 0.10000E+01 volume 0.10890E-02 ppm1 8.856 ppm2 2.954 CV 1
ASSI { 18}
(( segid "UBI " and resid 45 and name HB2 ))
(( segid "UBI " and resid 45 and name HN ))
3.100 1.200 1.200 peak 18 spectrum 1 weight 0.10000E+01 volume 0.19849E-02 ppm1 8.860 ppm2 2.763 CV 1
ASSI { 21}
( segid "UBI " and resid 44 and name HG2%)
(( segid "UBI " and resid 45 and name HN ))
2.700 0.900 0.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.28356E-02 ppm1 8.859 ppm2 0.890 CV 1
ASSI { 22}
( segid "UBI " and resid 50 and name HD1%)
(( segid "UBI " and resid 45 and name HN ))
3.900 1.900 1.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.37173E-03 ppm1 8.852 ppm2 0.479 CV 1
ASSI { 23}
( segid "UBI " and resid 50 and name HD2%)
(( segid "UBI " and resid 45 and name HN ))
3.000 1.100 1.100 peak 23 spectrum 1 weight 0.10000E+01 volume 0.99365E-03 ppm1 8.861 ppm2 -0.172 CV 1
ASSI { 24}
(( segid "UBI " and resid 71 and name HA ))
(( segid "UBI " and resid 71 and name HN ))
3.100 1.200 1.200 peak 24 spectrum 1 weight 0.10000E+01 volume 0.13034E-02 ppm1 8.219 ppm2 4.877 CV 1
ASSI { 28}
( segid "UBI " and resid 70 and name HG1%)
(( segid "UBI " and resid 71 and name HN ))
3.000 1.200 1.200 peak 28 spectrum 1 weight 0.10000E+01 volume 0.17300E-02 ppm1 8.219 ppm2 0.535 CV 1
ASSI { 31}
(( segid "UBI " and resid 3 and name HN ))
(( segid "UBI " and resid 15 and name HN ))
2.800 1.000 1.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.22018E-02 ppm1 8.638 ppm2 8.234 CV 1
ASSI { 32}
(( segid "UBI " and resid 14 and name HA ))
(( segid "UBI " and resid 15 and name HN ))
2.200 0.600 0.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.90550E-02 ppm1 8.634 ppm2 4.874 CV 1
ASSI { 33}
(( segid "UBI " and resid 15 and name HA ))
(( segid "UBI " and resid 15 and name HN ))
2.800 1.000 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.23352E-02 ppm1 8.635 ppm2 4.688 CV 1
ASSI { 34}
(( segid "UBI " and resid 15 and name HB1 ))
(( segid "UBI " and resid 15 and name HN ))
2.600 0.900 0.900 peak 34 spectrum 1 weight 0.10000E+01 volume 0.37173E-02 ppm1 8.634 ppm2 1.324 CV 1
ASSI { 35}
( segid "UBI " and resid 14 and name HG2%)
(( segid "UBI " and resid 15 and name HN ))
2.800 1.000 1.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.32884E-02 ppm1 8.634 ppm2 1.070 CV 1
ASSI { 39}
(( segid "UBI " and resid 70 and name HA ))
(( segid "UBI " and resid 71 and name HN ))
2.100 0.500 0.500 peak 39 spectrum 1 weight 0.10000E+01 volume 0.12963E-01 ppm1 8.255 ppm2 4.164 CV 1
ASSI { 42}
(( segid "UBI " and resid 73 and name HB1 ))
(( segid "UBI " and resid 73 and name HN ))
2.700 0.900 0.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.44083E-02 ppm1 8.254 ppm2 1.358 CV 1
OR { 42}
(( segid "UBI " and resid 73 and name HG ))
(( segid "UBI " and resid 73 and name HN ))
ASSI { 43}
(( segid "UBI " and resid 73 and name HB2 ))
(( segid "UBI " and resid 73 and name HN ))
2.600 0.900 0.900 peak 43 spectrum 1 weight 0.10000E+01 volume 0.34313E-02 ppm1 8.255 ppm2 1.092 CV 1
ASSI { 47}
(( segid "UBI " and resid 62 and name HA ))
(( segid "UBI " and resid 62 and name HN ))
3.000 1.200 1.200 peak 47 spectrum 1 weight 0.10000E+01 volume 0.15703E-02 ppm1 7.500 ppm2 4.416 CV 1
ASSI { 48}
(( segid "UBI " and resid 61 and name HA ))
(( segid "UBI " and resid 62 and name HN ))
2.200 0.600 0.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.92452E-02 ppm1 7.496 ppm2 3.329 CV 1
ASSI { 49}
(( segid "UBI " and resid 62 and name HB1 ))
(( segid "UBI " and resid 62 and name HN ))
3.000 1.100 1.100 peak 49 spectrum 1 weight 0.10000E+01 volume 0.22709E-02 ppm1 7.493 ppm2 2.206 CV 1
ASSI { 50}
(( segid "UBI " and resid 62 and name HB2 ))
(( segid "UBI " and resid 62 and name HN ))
2.600 0.800 0.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.35743E-02 ppm1 7.494 ppm2 1.835 CV 1
ASSI { 51}
( segid "UBI " and resid 61 and name HG2%)
(( segid "UBI " and resid 62 and name HN ))
3.000 1.100 1.100 peak 51 spectrum 1 weight 0.10000E+01 volume 0.19301E-02 ppm1 7.496 ppm2 0.410 CV 1
ASSI { 52}
(( segid "UBI " and resid 62 and name HG2 ))
(( segid "UBI " and resid 62 and name HN ))
2.900 1.100 1.100 peak 52 spectrum 1 weight 0.10000E+01 volume 0.22303E-02 ppm1 7.494 ppm2 2.304 CV 1
OR { 52}
(( segid "UBI " and resid 62 and name HG1 ))
(( segid "UBI " and resid 62 and name HN ))
ASSI { 54}
(( segid "UBI " and resid 43 and name HA ))
(( segid "UBI " and resid 43 and name HN ))
3.000 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.14393E-02 ppm1 8.698 ppm2 5.331 CV 1
ASSI { 55}
(( segid "UBI " and resid 42 and name HA ))
(( segid "UBI " and resid 43 and name HN ))
2.200 0.600 0.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.85066E-02 ppm1 8.700 ppm2 4.497 CV 1
ASSI { 56}
(( segid "UBI " and resid 42 and name HB1 ))
(( segid "UBI " and resid 43 and name HN ))
3.400 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.14178E-02 ppm1 8.699 ppm2 1.782 CV 1
OR { 56}
(( segid "UBI " and resid 42 and name HB2 ))
(( segid "UBI " and resid 43 and name HN ))
ASSI { 59}
(( segid "UBI " and resid 43 and name HB2 ))
(( segid "UBI " and resid 43 and name HN ))
2.800 1.000 1.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.14369E-02 ppm1 8.700 ppm2 1.102 CV 1
ASSI { 60}
( segid "UBI " and resid 43 and name HD1%)
(( segid "UBI " and resid 43 and name HN ))
3.200 1.200 1.200 peak 60 spectrum 1 weight 0.10000E+01 volume 0.16323E-02 ppm1 8.700 ppm2 0.724 CV 1
OR { 60}
( segid "UBI " and resid 43 and name HD2%)
(( segid "UBI " and resid 43 and name HN ))
ASSI { 62}
(( segid "UBI " and resid 7 and name HA ))
(( segid "UBI " and resid 69 and name HN ))
2.200 0.600 0.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.10651E-01 ppm1 8.342 ppm2 4.896 CV 1
ASSI { 64}
(( segid "UBI " and resid 68 and name HB2 ))
(( segid "UBI " and resid 69 and name HN ))
3.600 1.600 1.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.13916E-02 ppm1 8.342 ppm2 2.844 CV 1
ASSI { 65}
(( segid "UBI " and resid 69 and name HB1 ))
(( segid "UBI " and resid 69 and name HN ))
2.400 0.700 0.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.49086E-02 ppm1 8.343 ppm2 1.589 CV 1
ASSI { 66}
(( segid "UBI " and resid 69 and name HB2 ))
(( segid "UBI " and resid 69 and name HN ))
2.700 0.900 0.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.29309E-02 ppm1 8.342 ppm2 0.984 CV 1
ASSI { 68}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 69 and name HN ))
3.000 1.100 1.100 peak 68 spectrum 1 weight 0.10000E+01 volume 0.23399E-02 ppm1 8.342 ppm2 0.630 CV 1
ASSI { 69}
(( segid "UBI " and resid 55 and name HN ))
(( segid "UBI " and resid 58 and name HN ))
3.600 1.600 1.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.60525E-03 ppm1 7.801 ppm2 8.769 CV 1
ASSI { 71}
(( segid "UBI " and resid 59 and name HN ))
(( segid "UBI " and resid 58 and name HN ))
2.500 0.800 0.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.42415E-02 ppm1 7.798 ppm2 7.171 CV 1
ASSI { 73}
(( segid "UBI " and resid 55 and name HB ))
(( segid "UBI " and resid 58 and name HN ))
3.800 1.800 1.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.66482E-03 ppm1 7.798 ppm2 4.421 CV 1
ASSI { 75}
(( segid "UBI " and resid 57 and name HB1 ))
(( segid "UBI " and resid 58 and name HN ))
3.100 1.200 1.200 peak 75 spectrum 1 weight 0.10000E+01 volume 0.11104E-02 ppm1 7.800 ppm2 3.819 CV 1
ASSI { 76}
(( segid "UBI " and resid 57 and name HB2 ))
(( segid "UBI " and resid 58 and name HN ))
3.700 1.700 1.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 7.798 ppm2 3.725 CV 1
ASSI { 77}
(( segid "UBI " and resid 58 and name HB1 ))
(( segid "UBI " and resid 58 and name HN ))
2.600 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.52423E-02 ppm1 7.800 ppm2 2.901 CV 1
ASSI { 78}
(( segid "UBI " and resid 58 and name HB2 ))
(( segid "UBI " and resid 58 and name HN ))
2.900 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.18968E-02 ppm1 7.799 ppm2 2.201 CV 1
ASSI { 82}
(( segid "UBI " and resid 40 and name HA ))
(( segid "UBI " and resid 74 and name HN ))
3.200 1.300 1.300 peak 82 spectrum 1 weight 0.10000E+01 volume 0.15227E-02 ppm1 8.235 ppm2 4.383 CV 1
ASSI { 83}
( segid "UBI " and resid 59 and name HE% )
(( segid "UBI " and resid 51 and name HN ))
3.700 1.700 1.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.65767E-03 ppm1 8.240 ppm2 6.959 CV 1
ASSI { 85}
(( segid "UBI " and resid 75 and name HA2 ))
(( segid "UBI " and resid 74 and name HN ))
2.100 2.100 3.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.84592E-02 ppm1 8.241 ppm2 3.939 CV 1
OR { 85}
(( segid "UBI " and resid 75 and name HA1 ))
(( segid "UBI " and resid 74 and name HN ))
ASSI { 87}
(( segid "UBI " and resid 51 and name HB1 ))
(( segid "UBI " and resid 51 and name HN ))
3.200 1.200 1.200 peak 87 spectrum 1 weight 0.10000E+01 volume 0.19206E-02 ppm1 8.239 ppm2 2.162 CV 1
ASSI { 88}
(( segid "UBI " and resid 51 and name HB2 ))
(( segid "UBI " and resid 51 and name HN ))
2.500 0.800 0.800 peak 88 spectrum 1 weight 0.10000E+01 volume 0.38126E-02 ppm1 8.241 ppm2 1.926 CV 1
ASSI { 90}
(( segid "UBI " and resid 50 and name HB1 ))
(( segid "UBI " and resid 51 and name HN ))
3.500 1.500 1.500 peak 90 spectrum 1 weight 0.10000E+01 volume 0.11223E-02 ppm1 8.240 ppm2 1.448 CV 1
OR { 90}
(( segid "UBI " and resid 50 and name HG ))
(( segid "UBI " and resid 51 and name HN ))
ASSI { 92}
(( segid "UBI " and resid 50 and name HB2 ))
(( segid "UBI " and resid 51 and name HN ))
3.700 1.700 1.700 peak 92 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 8.238 ppm2 0.955 CV 1
ASSI { 94}
( segid "UBI " and resid 50 and name HD2%)
(( segid "UBI " and resid 51 and name HN ))
4.100 2.100 1.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.70533E-03 ppm1 8.238 ppm2 -0.171 CV 1
ASSI { 95}
(( segid "UBI " and resid 30 and name HN ))
(( segid "UBI " and resid 31 and name HN ))
2.700 0.900 0.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.27164E-02 ppm1 8.432 ppm2 8.181 CV 1
ASSI { 96}
(( segid "UBI " and resid 32 and name HN ))
(( segid "UBI " and resid 31 and name HN ))
2.500 0.800 0.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.42891E-02 ppm1 8.434 ppm2 7.990 CV 1
ASSI { 97}
(( segid "UBI " and resid 41 and name HE21))
(( segid "UBI " and resid 31 and name HN ))
3.600 1.600 1.600 peak 97 spectrum 1 weight 0.10000E+01 volume 0.18062E-02 ppm1 8.435 ppm2 6.399 CV 1
ASSI { 100}
(( segid "UBI " and resid 31 and name HA ))
(( segid "UBI " and resid 31 and name HN ))
2.800 1.000 1.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.21326E-02 ppm1 8.432 ppm2 3.773 CV 1
ASSI { 101}
(( segid "UBI " and resid 30 and name HA ))
(( segid "UBI " and resid 31 and name HN ))
3.700 1.700 1.700 peak 101 spectrum 1 weight 0.10000E+01 volume 0.53138E-03 ppm1 8.436 ppm2 3.445 CV 1
ASSI { 102}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 31 and name HN ))
2.500 0.800 0.800 peak 102 spectrum 1 weight 0.10000E+01 volume 0.41224E-02 ppm1 8.435 ppm2 2.467 CV 1
ASSI { 103}
(( segid "UBI " and resid 30 and name HB ))
(( segid "UBI " and resid 31 and name HN ))
2.700 0.900 0.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.30501E-02 ppm1 8.434 ppm2 2.255 CV 1
ASSI { 106}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 31 and name HN ))
3.500 1.600 1.600 peak 106 spectrum 1 weight 0.10000E+01 volume 0.11652E-02 ppm1 8.434 ppm2 0.640 CV 1
OR { 106}
(( segid "UBI " and resid 30 and name HG12))
(( segid "UBI " and resid 31 and name HN ))
ASSI { 108}
(( segid "UBI " and resid 70 and name HN ))
(( segid "UBI " and resid 42 and name HN ))
3.200 1.300 1.300 peak 108 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 8.540 ppm2 9.100 CV 1
ASSI { 109}
(( segid "UBI " and resid 71 and name HA ))
(( segid "UBI " and resid 42 and name HN ))
3.400 1.400 1.400 peak 109 spectrum 1 weight 0.10000E+01 volume 0.95553E-03 ppm1 8.543 ppm2 4.901 CV 1
ASSI { 110}
(( segid "UBI " and resid 42 and name HA ))
(( segid "UBI " and resid 42 and name HN ))
3.000 1.200 1.200 peak 110 spectrum 1 weight 0.10000E+01 volume 0.14178E-02 ppm1 8.541 ppm2 4.498 CV 1
ASSI { 111}
(( segid "UBI " and resid 41 and name HA ))
(( segid "UBI " and resid 42 and name HN ))
2.200 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.76013E-02 ppm1 8.540 ppm2 4.075 CV 1
ASSI { 112}
(( segid "UBI " and resid 42 and name HB2 ))
(( segid "UBI " and resid 42 and name HN ))
2.500 0.800 0.800 peak 112 spectrum 1 weight 0.10000E+01 volume 0.53614E-02 ppm1 8.542 ppm2 1.784 CV 1
OR { 112}
(( segid "UBI " and resid 42 and name HB1 ))
(( segid "UBI " and resid 42 and name HN ))
ASSI { 114}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 42 and name HN ))
2.800 1.000 1.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.25973E-02 ppm1 8.541 ppm2 0.771 CV 1
ASSI { 116}
(( segid "UBI " and resid 49 and name HG1 ))
(( segid "UBI " and resid 49 and name HN ))
3.400 1.500 1.500 peak 116 spectrum 1 weight 0.10000E+01 volume 0.91505E-03 ppm1 8.781 ppm2 2.257 CV 1
ASSI { 117}
(( segid "UBI " and resid 49 and name HB2 ))
(( segid "UBI " and resid 49 and name HN ))
2.400 0.700 0.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.60286E-02 ppm1 8.779 ppm2 2.004 CV 1
OR { 117}
(( segid "UBI " and resid 49 and name HB1 ))
(( segid "UBI " and resid 49 and name HN ))
ASSI { 118}
(( segid "UBI " and resid 48 and name HB2 ))
(( segid "UBI " and resid 49 and name HN ))
2.900 1.000 1.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.37649E-02 ppm1 8.780 ppm2 1.847 CV 1
OR { 118}
(( segid "UBI " and resid 48 and name HB1 ))
(( segid "UBI " and resid 49 and name HN ))
ASSI { 120}
(( segid "UBI " and resid 21 and name HA ))
(( segid "UBI " and resid 21 and name HN ))
2.900 1.100 1.100 peak 120 spectrum 1 weight 0.10000E+01 volume 0.20207E-02 ppm1 7.744 ppm2 4.639 CV 1
ASSI { 121}
(( segid "UBI " and resid 20 and name HA ))
(( segid "UBI " and resid 21 and name HN ))
3.300 1.300 1.300 peak 121 spectrum 1 weight 0.10000E+01 volume 0.95316E-03 ppm1 7.747 ppm2 4.361 CV 1
ASSI { 122}
(( segid "UBI " and resid 19 and name HA ))
(( segid "UBI " and resid 21 and name HN ))
3.600 1.600 1.600 peak 122 spectrum 1 weight 0.10000E+01 volume 0.75537E-03 ppm1 7.746 ppm2 3.881 CV 1
OR { 122}
(( segid "UBI " and resid 19 and name HB2 ))
(( segid "UBI " and resid 21 and name HN ))
ASSI { 123}
(( segid "UBI " and resid 20 and name HN ))
(( segid "UBI " and resid 21 and name HN ))
2.500 0.800 0.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.44559E-02 ppm1 7.745 ppm2 7.228 CV 1
ASSI { 124}
(( segid "UBI " and resid 21 and name HB1 ))
(( segid "UBI " and resid 21 and name HN ))
2.400 0.700 0.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.70533E-02 ppm1 7.745 ppm2 2.904 CV 1
ASSI { 125}
(( segid "UBI " and resid 21 and name HB2 ))
(( segid "UBI " and resid 21 and name HN ))
2.800 1.000 1.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.21637E-02 ppm1 7.746 ppm2 2.483 CV 1
ASSI { 127}
(( segid "UBI " and resid 18 and name HB1 ))
(( segid "UBI " and resid 21 and name HN ))
3.500 1.500 1.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.85547E-03 ppm1 7.747 ppm2 2.137 CV 1
ASSI { 129}
( segid "UBI " and resid 56 and name HD1%)
(( segid "UBI " and resid 21 and name HN ))
3.400 1.400 1.400 peak 129 spectrum 1 weight 0.10000E+01 volume 0.87686E-03 ppm1 7.745 ppm2 0.689 CV 1
ASSI { 132}
(( segid "UBI " and resid 29 and name HA ))
(( segid "UBI " and resid 29 and name HN ))
2.600 0.800 0.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.40032E-02 ppm1 7.890 ppm2 4.149 CV 1
ASSI { 133}
(( segid "UBI " and resid 28 and name HB2 ))
(( segid "UBI " and resid 29 and name HN ))
2.700 0.900 0.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.38602E-02 ppm1 7.890 ppm2 4.055 CV 1
OR { 133}
(( segid "UBI " and resid 28 and name HB1 ))
(( segid "UBI " and resid 29 and name HN ))
ASSI { 134}
(( segid "UBI " and resid 26 and name HA ))
(( segid "UBI " and resid 29 and name HN ))
3.200 1.300 1.300 peak 134 spectrum 1 weight 0.10000E+01 volume 0.11747E-02 ppm1 7.889 ppm2 3.303 CV 1
ASSI { 135}
(( segid "UBI " and resid 29 and name HB1 ))
(( segid "UBI " and resid 29 and name HN ))
3.000 1.200 1.200 peak 135 spectrum 1 weight 0.10000E+01 volume 0.46228E-02 ppm1 7.890 ppm2 2.049 CV 1
ASSI { 136}
(( segid "UBI " and resid 29 and name HB2 ))
(( segid "UBI " and resid 29 and name HN ))
2.600 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.26688E-02 ppm1 7.890 ppm2 1.848 CV 1
ASSI { 137}
(( segid "UBI " and resid 29 and name HG1 ))
(( segid "UBI " and resid 29 and name HN ))
2.400 0.700 0.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.49801E-02 ppm1 7.891 ppm2 1.694 CV 1
ASSI { 138}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 29 and name HN ))
3.500 1.500 1.500 peak 138 spectrum 1 weight 0.10000E+01 volume 0.19492E-02 ppm1 7.889 ppm2 1.528 CV 1
ASSI { 142}
(( segid "UBI " and resid 43 and name HA ))
(( segid "UBI " and resid 44 and name HN ))
2.200 0.600 0.600 peak 142 spectrum 1 weight 0.10000E+01 volume 0.84592E-02 ppm1 9.096 ppm2 5.335 CV 1
ASSI { 144}
(( segid "UBI " and resid 68 and name HB2 ))
(( segid "UBI " and resid 44 and name HN ))
3.300 1.400 1.400 peak 144 spectrum 1 weight 0.10000E+01 volume 0.79353E-03 ppm1 9.095 ppm2 2.880 CV 1
ASSI { 145}
(( segid "UBI " and resid 44 and name HB ))
(( segid "UBI " and resid 44 and name HN ))
2.600 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.34789E-02 ppm1 9.095 ppm2 1.849 CV 1
ASSI { 150}
(( segid "UBI " and resid 2 and name HA ))
(( segid "UBI " and resid 2 and name HN ))
3.100 1.200 1.200 peak 150 spectrum 1 weight 0.10000E+01 volume 0.10628E-02 ppm1 8.745 ppm2 5.206 CV 1
ASSI { 152}
(( segid "UBI " and resid 1 and name HA ))
(( segid "UBI " and resid 2 and name HN ))
2.400 0.700 0.700 peak 152 spectrum 1 weight 0.10000E+01 volume 0.63623E-02 ppm1 8.744 ppm2 4.167 CV 1
ASSI { 154}
(( segid "UBI " and resid 1 and name HB2 ))
(( segid "UBI " and resid 2 and name HN ))
2.300 0.700 0.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.50755E-02 ppm1 8.745 ppm2 1.979 CV 1
ASSI { 155}
(( segid "UBI " and resid 2 and name HB1 ))
(( segid "UBI " and resid 2 and name HN ))
2.700 0.900 0.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.47419E-02 ppm1 8.745 ppm2 1.784 CV 1
ASSI { 156}
(( segid "UBI " and resid 2 and name HB2 ))
(( segid "UBI " and resid 2 and name HN ))
2.900 1.000 1.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 8.744 ppm2 1.536 CV 1
ASSI { 157}
(( segid "UBI " and resid 16 and name HA ))
(( segid "UBI " and resid 16 and name HN ))
2.900 1.000 1.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.16823E-02 ppm1 8.029 ppm2 4.827 CV 1
ASSI { 158}
(( segid "UBI " and resid 15 and name HA ))
(( segid "UBI " and resid 16 and name HN ))
2.100 0.500 0.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.11652E-01 ppm1 8.030 ppm2 4.689 CV 1
ASSI { 160}
(( segid "UBI " and resid 16 and name HB1 ))
(( segid "UBI " and resid 16 and name HN ))
2.300 0.700 0.700 peak 160 spectrum 1 weight 0.10000E+01 volume 0.67911E-02 ppm1 8.031 ppm2 1.843 CV 1
ASSI { 161}
(( segid "UBI " and resid 16 and name HB2 ))
(( segid "UBI " and resid 16 and name HN ))
2.400 0.700 0.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.69103E-02 ppm1 8.031 ppm2 1.785 CV 1
ASSI { 162}
(( segid "UBI " and resid 15 and name HB1 ))
(( segid "UBI " and resid 16 and name HN ))
3.500 1.600 1.600 peak 162 spectrum 1 weight 0.10000E+01 volume 0.99365E-03 ppm1 8.029 ppm2 1.328 CV 1
ASSI { 163}
(( segid "UBI " and resid 15 and name HB2 ))
(( segid "UBI " and resid 16 and name HN ))
3.500 1.500 1.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.20993E-02 ppm1 8.030 ppm2 1.144 CV 1
ASSI { 165}
(( segid "UBI " and resid 14 and name HA ))
(( segid "UBI " and resid 14 and name HN ))
3.100 1.200 1.200 peak 165 spectrum 1 weight 0.10000E+01 volume 0.11676E-02 ppm1 8.568 ppm2 4.879 CV 1
ASSI { 167}
(( segid "UBI " and resid 13 and name HA ))
(( segid "UBI " and resid 14 and name HN ))
2.300 0.600 0.600 peak 167 spectrum 1 weight 0.10000E+01 volume 0.83164E-02 ppm1 8.568 ppm2 4.368 CV 1
ASSI { 168}
(( segid "UBI " and resid 14 and name HB ))
(( segid "UBI " and resid 14 and name HN ))
2.700 0.900 0.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.32884E-02 ppm1 8.568 ppm2 3.985 CV 1
ASSI { 169}
(( segid "UBI " and resid 13 and name HB ))
(( segid "UBI " and resid 14 and name HN ))
3.700 1.700 1.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.78635E-03 ppm1 8.571 ppm2 1.786 CV 1
ASSI { 171}
( segid "UBI " and resid 13 and name HG2%)
(( segid "UBI " and resid 14 and name HN ))
3.000 1.100 1.100 peak 171 spectrum 1 weight 0.10000E+01 volume 0.21494E-02 ppm1 8.569 ppm2 0.800 CV 1
ASSI { 172}
(( segid "UBI " and resid 71 and name HA ))
(( segid "UBI " and resid 72 and name HN ))
2.200 0.600 0.600 peak 172 spectrum 1 weight 0.10000E+01 volume 0.81254E-02 ppm1 8.386 ppm2 4.880 CV 1
ASSI { 174}
(( segid "UBI " and resid 40 and name HA ))
(( segid "UBI " and resid 72 and name HN ))
3.600 1.600 1.600 peak 174 spectrum 1 weight 0.10000E+01 volume 0.62908E-03 ppm1 8.386 ppm2 4.331 CV 1
ASSI { 175}
(( segid "UBI " and resid 72 and name HA ))
(( segid "UBI " and resid 72 and name HN ))
2.800 1.000 1.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.23137E-02 ppm1 8.384 ppm2 4.159 CV 1
ASSI { 177}
(( segid "UBI " and resid 72 and name HB1 ))
(( segid "UBI " and resid 72 and name HN ))
2.900 1.000 1.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.25973E-02 ppm1 8.387 ppm2 1.694 CV 1
ASSI { 181}
(( segid "UBI " and resid 25 and name HA ))
(( segid "UBI " and resid 26 and name HN ))
3.700 1.700 1.700 peak 181 spectrum 1 weight 0.10000E+01 volume 0.52899E-03 ppm1 7.983 ppm2 4.432 CV 1
ASSI { 182}
(( segid "UBI " and resid 23 and name HA ))
(( segid "UBI " and resid 26 and name HN ))
3.200 1.200 1.200 peak 182 spectrum 1 weight 0.10000E+01 volume 0.12629E-02 ppm1 7.984 ppm2 3.539 CV 1
ASSI { 183}
(( segid "UBI " and resid 26 and name HA ))
(( segid "UBI " and resid 26 and name HN ))
2.900 1.100 1.100 peak 183 spectrum 1 weight 0.10000E+01 volume 0.17038E-02 ppm1 7.984 ppm2 3.306 CV 1
ASSI { 184}
(( segid "UBI " and resid 25 and name HB1 ))
(( segid "UBI " and resid 26 and name HN ))
2.800 1.000 1.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.17276E-02 ppm1 7.985 ppm2 3.109 CV 1
ASSI { 185}
(( segid "UBI " and resid 25 and name HB2 ))
(( segid "UBI " and resid 26 and name HN ))
3.600 1.600 1.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.16870E-02 ppm1 7.983 ppm2 2.841 CV 1
ASSI { 186}
(( segid "UBI " and resid 4 and name HA ))
(( segid "UBI " and resid 15 and name HN ))
3.700 1.700 1.700 peak 186 spectrum 1 weight 0.10000E+01 volume 0.63861E-03 ppm1 8.636 ppm2 5.528 CV 1
ASSI { 187}
(( segid "UBI " and resid 14 and name HB ))
(( segid "UBI " and resid 15 and name HN ))
4.200 2.200 1.800 peak 187 spectrum 1 weight 0.10000E+01 volume 0.41461E-03 ppm1 8.636 ppm2 3.987 CV 1
ASSI { 188}
(( segid "UBI " and resid 26 and name HB ))
(( segid "UBI " and resid 26 and name HN ))
2.400 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.61954E-02 ppm1 7.984 ppm2 2.288 CV 1
ASSI { 189}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 26 and name HN ))
3.100 1.200 1.200 peak 189 spectrum 1 weight 0.10000E+01 volume 0.51470E-02 ppm1 7.984 ppm2 0.911 CV 1
ASSI { 190}
( segid "UBI " and resid 26 and name HG2%)
(( segid "UBI " and resid 26 and name HN ))
2.700 0.900 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.22494E-02 ppm1 7.984 ppm2 0.653 CV 1
ASSI { 193}
(( segid "UBI " and resid 11 and name HA ))
(( segid "UBI " and resid 11 and name HN ))
2.700 0.900 0.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.26449E-02 ppm1 7.067 ppm2 4.224 CV 1
ASSI { 194}
(( segid "UBI " and resid 11 and name HB2 ))
(( segid "UBI " and resid 11 and name HN ))
2.200 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.71486E-02 ppm1 7.068 ppm2 1.660 CV 1
ASSI { 195}
(( segid "UBI " and resid 10 and name HA2 ))
(( segid "UBI " and resid 11 and name HN ))
3.500 1.600 1.600 peak 195 spectrum 1 weight 0.10000E+01 volume 0.63861E-03 ppm1 7.069 ppm2 3.543 CV 1
ASSI { 196}
(( segid "UBI " and resid 11 and name HG1 ))
(( segid "UBI " and resid 11 and name HN ))
3.900 1.900 1.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.44559E-03 ppm1 7.066 ppm2 1.353 CV 1
ASSI { 197}
( segid "UBI " and resid 7 and name HG2%)
(( segid "UBI " and resid 11 and name HN ))
4.000 2.000 2.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.51946E-03 ppm1 7.068 ppm2 1.096 CV 1
ASSI { 199}
(( segid "UBI " and resid 47 and name HN ))
(( segid "UBI " and resid 48 and name HN ))
2.700 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.28118E-02 ppm1 7.867 ppm2 8.048 CV 1
ASSI { 200}
(( segid "UBI " and resid 48 and name HA ))
(( segid "UBI " and resid 48 and name HN ))
2.700 0.900 0.900 peak 200 spectrum 1 weight 0.10000E+01 volume 0.28594E-02 ppm1 7.871 ppm2 4.567 CV 1
ASSI { 201}
(( segid "UBI " and resid 47 and name HA1 ))
(( segid "UBI " and resid 48 and name HN ))
3.200 1.300 1.300 peak 201 spectrum 1 weight 0.10000E+01 volume 0.11533E-02 ppm1 7.872 ppm2 4.017 CV 1
ASSI { 202}
(( segid "UBI " and resid 47 and name HA2 ))
(( segid "UBI " and resid 48 and name HN ))
3.700 1.700 1.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.77206E-03 ppm1 7.871 ppm2 3.475 CV 1
ASSI { 203}
(( segid "UBI " and resid 48 and name HB1 ))
(( segid "UBI " and resid 48 and name HN ))
2.400 0.700 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.80300E-02 ppm1 7.871 ppm2 1.850 CV 1
OR { 203}
(( segid "UBI " and resid 48 and name HB2 ))
(( segid "UBI " and resid 48 and name HN ))
ASSI { 204}
(( segid "UBI " and resid 48 and name HG2 ))
(( segid "UBI " and resid 48 and name HN ))
3.000 1.100 1.100 peak 204 spectrum 1 weight 0.10000E+01 volume 0.17895E-02 ppm1 7.871 ppm2 1.473 CV 1
OR { 204}
(( segid "UBI " and resid 48 and name HG1 ))
(( segid "UBI " and resid 48 and name HN ))
ASSI { 205}
( segid "UBI " and resid 44 and name HG2%)
(( segid "UBI " and resid 48 and name HN ))
3.100 1.200 1.200 peak 205 spectrum 1 weight 0.10000E+01 volume 0.17776E-02 ppm1 7.868 ppm2 0.882 CV 1
ASSI { 206}
(( segid "UBI " and resid 7 and name HA ))
(( segid "UBI " and resid 8 and name HN ))
2.700 0.900 0.900 peak 206 spectrum 1 weight 0.10000E+01 volume 0.26688E-02 ppm1 8.808 ppm2 4.840 CV 1
ASSI { 207}
(( segid "UBI " and resid 7 and name HB ))
(( segid "UBI " and resid 8 and name HN ))
2.500 0.800 0.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.33599E-02 ppm1 8.808 ppm2 4.624 CV 1
ASSI { 209}
(( segid "UBI " and resid 8 and name HA ))
(( segid "UBI " and resid 8 and name HN ))
3.000 1.100 1.100 peak 209 spectrum 1 weight 0.10000E+01 volume 0.15274E-02 ppm1 8.805 ppm2 3.971 CV 1
ASSI { 210}
(( segid "UBI " and resid 8 and name HB1 ))
(( segid "UBI " and resid 8 and name HN ))
2.800 1.000 1.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.26212E-02 ppm1 8.808 ppm2 1.806 CV 1
ASSI { 211}
(( segid "UBI " and resid 8 and name HB2 ))
(( segid "UBI " and resid 8 and name HN ))
2.700 0.900 0.900 peak 211 spectrum 1 weight 0.10000E+01 volume 0.26212E-02 ppm1 8.808 ppm2 1.679 CV 1
ASSI { 212}
(( segid "UBI " and resid 69 and name HB1 ))
(( segid "UBI " and resid 8 and name HN ))
3.500 1.500 1.500 peak 212 spectrum 1 weight 0.10000E+01 volume 0.12939E-02 ppm1 8.809 ppm2 1.582 CV 1
ASSI { 213}
( segid "UBI " and resid 7 and name HG2%)
(( segid "UBI " and resid 8 and name HN ))
4.400 2.500 1.600 peak 213 spectrum 1 weight 0.10000E+01 volume 0.53853E-03 ppm1 8.811 ppm2 1.087 CV 1
ASSI { 214}
( segid "UBI " and resid 8 and name HD1%)
(( segid "UBI " and resid 8 and name HN ))
4.100 2.100 1.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.57903E-03 ppm1 8.813 ppm2 0.866 CV 1
OR { 214}
( segid "UBI " and resid 8 and name HD2%)
(( segid "UBI " and resid 8 and name HN ))
ASSI { 215}
(( segid "UBI " and resid 4 and name HA ))
(( segid "UBI " and resid 5 and name HN ))
2.300 0.600 0.600 peak 215 spectrum 1 weight 0.10000E+01 volume 0.77443E-02 ppm1 9.165 ppm2 5.522 CV 1
ASSI { 216}
(( segid "UBI " and resid 14 and name HA ))
(( segid "UBI " and resid 5 and name HN ))
3.500 1.500 1.500 peak 216 spectrum 1 weight 0.10000E+01 volume 0.96745E-03 ppm1 9.169 ppm2 4.895 CV 1
ASSI { 217}
(( segid "UBI " and resid 5 and name HA ))
(( segid "UBI " and resid 5 and name HN ))
3.100 1.200 1.200 peak 217 spectrum 1 weight 0.10000E+01 volume 0.12343E-02 ppm1 9.167 ppm2 4.749 CV 1
ASSI { 218}
(( segid "UBI " and resid 4 and name HB1 ))
(( segid "UBI " and resid 5 and name HN ))
4.200 2.200 1.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.34789E-03 ppm1 9.168 ppm2 2.929 CV 1
ASSI { 219}
(( segid "UBI " and resid 4 and name HB2 ))
(( segid "UBI " and resid 5 and name HN ))
3.700 1.700 1.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.12439E-02 ppm1 9.164 ppm2 2.781 CV 1
ASSI { 220}
(( segid "UBI " and resid 5 and name HB ))
(( segid "UBI " and resid 5 and name HN ))
2.600 0.800 0.800 peak 220 spectrum 1 weight 0.10000E+01 volume 0.35266E-02 ppm1 9.166 ppm2 1.842 CV 1
ASSI { 224}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 5 and name HN ))
2.700 0.900 0.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.35266E-02 ppm1 9.165 ppm2 0.651 CV 1
OR { 224}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 5 and name HN ))
ASSI { 225}
(( segid "UBI " and resid 55 and name HA ))
(( segid "UBI " and resid 23 and name HN ))
3.200 1.300 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.13439E-02 ppm1 8.650 ppm2 5.156 CV 1
ASSI { 226}
(( segid "UBI " and resid 22 and name HA ))
(( segid "UBI " and resid 23 and name HN ))
2.400 0.700 0.700 peak 226 spectrum 1 weight 0.10000E+01 volume 0.48134E-02 ppm1 8.651 ppm2 4.905 CV 1
ASSI { 227}
(( segid "UBI " and resid 22 and name HB ))
(( segid "UBI " and resid 23 and name HN ))
2.700 0.900 0.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.29309E-02 ppm1 8.650 ppm2 4.674 CV 1
ASSI { 228}
(( segid "UBI " and resid 23 and name HA ))
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3.100 1.200 1.200 peak 228 spectrum 1 weight 0.10000E+01 volume 0.12844E-02 ppm1 8.652 ppm2 3.542 CV 1
ASSI { 229}
(( segid "UBI " and resid 26 and name HB ))
(( segid "UBI " and resid 23 and name HN ))
2.400 2.400 3.600 peak 229 spectrum 1 weight 0.10000E+01 volume 0.39556E-02 ppm1 8.652 ppm2 2.344 CV 1
ASSI { 230}
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(( segid "UBI " and resid 23 and name HN ))
3.100 1.200 1.200 peak 230 spectrum 1 weight 0.10000E+01 volume 0.41700E-02 ppm1 8.651 ppm2 1.768 CV 1
ASSI { 232}
(( segid "UBI " and resid 23 and name HG12))
(( segid "UBI " and resid 23 and name HN ))
2.800 1.000 1.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.19062E-02 ppm1 8.651 ppm2 1.237 CV 1
ASSI { 233}
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(( segid "UBI " and resid 23 and name HN ))
3.600 1.600 1.600 peak 233 spectrum 1 weight 0.10000E+01 volume 0.38126E-03 ppm1 8.653 ppm2 1.100 CV 1
ASSI { 234}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 23 and name HN ))
3.800 1.800 1.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.98173E-03 ppm1 8.654 ppm2 0.709 CV 1
ASSI { 235}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 23 and name HN ))
3.100 1.200 1.200 peak 235 spectrum 1 weight 0.10000E+01 volume 0.16561E-02 ppm1 8.651 ppm2 0.540 CV 1
ASSI { 237}
(( segid "UBI " and resid 30 and name HA ))
(( segid "UBI " and resid 30 and name HN ))
2.900 1.100 1.100 peak 237 spectrum 1 weight 0.10000E+01 volume 0.18753E-02 ppm1 8.183 ppm2 3.447 CV 1
ASSI { 238}
(( segid "UBI " and resid 30 and name HB ))
(( segid "UBI " and resid 30 and name HN ))
2.400 0.700 0.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.57188E-02 ppm1 8.182 ppm2 2.260 CV 1
ASSI { 240}
(( segid "UBI " and resid 30 and name HG11))
(( segid "UBI " and resid 30 and name HN ))
2.200 0.600 0.600 peak 240 spectrum 1 weight 0.10000E+01 volume 0.64337E-02 ppm1 8.182 ppm2 1.922 CV 1
ASSI { 241}
(( segid "UBI " and resid 29 and name HG1 ))
(( segid "UBI " and resid 30 and name HN ))
3.700 1.700 1.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.99838E-03 ppm1 8.182 ppm2 1.704 CV 1
ASSI { 243}
( segid "UBI " and resid 30 and name HD1%)
(( segid "UBI " and resid 30 and name HN ))
3.700 1.700 1.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.13344E-02 ppm1 8.183 ppm2 0.806 CV 1
ASSI { 244}
(( segid "UBI " and resid 30 and name HG12))
(( segid "UBI " and resid 30 and name HN ))
3.100 1.200 1.200 peak 244 spectrum 1 weight 0.10000E+01 volume 0.42176E-02 ppm1 8.183 ppm2 0.651 CV 1
OR { 244}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 30 and name HN ))
ASSI { 245}
(( segid "UBI " and resid 29 and name HB1 ))
(( segid "UBI " and resid 30 and name HN ))
2.900 1.100 1.100 peak 245 spectrum 1 weight 0.10000E+01 volume 0.36458E-02 ppm1 8.183 ppm2 2.051 CV 1
ASSI { 246}
(( segid "UBI " and resid 12 and name HA ))
(( segid "UBI " and resid 12 and name HN ))
3.600 1.600 1.600 peak 246 spectrum 1 weight 0.10000E+01 volume 0.50516E-03 ppm1 8.429 ppm2 4.944 CV 1
ASSI { 247}
(( segid "UBI " and resid 11 and name HA ))
(( segid "UBI " and resid 12 and name HN ))
2.400 0.700 0.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.55283E-02 ppm1 8.425 ppm2 4.219 CV 1
ASSI { 248}
(( segid "UBI " and resid 12 and name HB ))
(( segid "UBI " and resid 12 and name HN ))
3.000 1.100 1.100 peak 248 spectrum 1 weight 0.10000E+01 volume 0.16966E-02 ppm1 8.425 ppm2 3.878 CV 1
ASSI { 249}
(( segid "UBI " and resid 11 and name HB2 ))
(( segid "UBI " and resid 12 and name HN ))
3.900 1.900 1.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.93407E-03 ppm1 8.427 ppm2 1.642 CV 1
ASSI { 250}
(( segid "UBI " and resid 11 and name HG1 ))
(( segid "UBI " and resid 12 and name HN ))
4.300 2.300 1.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.48611E-03 ppm1 8.426 ppm2 1.355 CV 1
ASSI { 251}
(( segid "UBI " and resid 11 and name HG2 ))
(( segid "UBI " and resid 12 and name HN ))
4.200 2.200 1.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.49086E-03 ppm1 8.419 ppm2 1.169 CV 1
ASSI { 252}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 12 and name HN ))
4.000 2.000 2.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.41461E-03 ppm1 8.424 ppm2 0.995 CV 1
ASSI { 253}
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(( segid "UBI " and resid 63 and name HN ))
2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.40985E-02 ppm1 8.296 ppm2 4.419 CV 1
ASSI { 254}
(( segid "UBI " and resid 63 and name HA ))
(( segid "UBI " and resid 63 and name HN ))
2.900 1.000 1.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.20683E-02 ppm1 8.296 ppm2 3.917 CV 1
ASSI { 255}
(( segid "UBI " and resid 62 and name HB1 ))
(( segid "UBI " and resid 63 and name HN ))
2.500 0.800 0.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.47181E-02 ppm1 8.296 ppm2 2.189 CV 1
ASSI { 256}
(( segid "UBI " and resid 63 and name HB1 ))
(( segid "UBI " and resid 63 and name HN ))
2.900 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.29309E-02 ppm1 8.297 ppm2 1.971 CV 1
ASSI { 258}
(( segid "UBI " and resid 63 and name HD2 ))
(( segid "UBI " and resid 63 and name HN ))
3.400 1.500 1.500 peak 258 spectrum 1 weight 0.10000E+01 volume 0.12605E-02 ppm1 8.296 ppm2 1.671 CV 1
OR { 258}
(( segid "UBI " and resid 63 and name HD1 ))
(( segid "UBI " and resid 63 and name HN ))
ASSI { 259}
(( segid "UBI " and resid 63 and name HG2 ))
(( segid "UBI " and resid 63 and name HN ))
2.800 1.000 1.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.24067E-02 ppm1 8.297 ppm2 1.437 CV 1
OR { 259}
(( segid "UBI " and resid 63 and name HG1 ))
(( segid "UBI " and resid 63 and name HN ))
ASSI { 263}
(( segid "UBI " and resid 51 and name HB1 ))
(( segid "UBI " and resid 52 and name HN ))
2.800 1.000 1.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.25497E-02 ppm1 7.954 ppm2 2.165 CV 1
ASSI { 264}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 52 and name HN ))
3.500 1.500 1.500 peak 264 spectrum 1 weight 0.10000E+01 volume 0.82209E-03 ppm1 7.957 ppm2 0.718 CV 1
ASSI { 266}
(( segid "UBI " and resid 36 and name HA ))
(( segid "UBI " and resid 36 and name HN ))
2.800 1.000 1.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.22280E-02 ppm1 6.105 ppm2 4.377 CV 1
ASSI { 267}
(( segid "UBI " and resid 35 and name HA1 ))
(( segid "UBI " and resid 36 and name HN ))
3.400 1.400 1.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.16513E-02 ppm1 6.106 ppm2 4.092 CV 1
ASSI { 268}
(( segid "UBI " and resid 31 and name HA ))
(( segid "UBI " and resid 36 and name HN ))
2.300 0.600 0.600 peak 268 spectrum 1 weight 0.10000E+01 volume 0.71009E-02 ppm1 6.105 ppm2 3.774 CV 1
ASSI { 269}
(( segid "UBI " and resid 37 and name HD2 ))
(( segid "UBI " and resid 36 and name HN ))
4.400 2.400 1.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.41700E-03 ppm1 6.107 ppm2 3.531 CV 1
ASSI { 271}
(( segid "UBI " and resid 31 and name HG2 ))
(( segid "UBI " and resid 36 and name HN ))
3.400 1.500 1.500 peak 271 spectrum 1 weight 0.10000E+01 volume 0.14131E-02 ppm1 6.106 ppm2 1.895 CV 1
ASSI { 272}
(( segid "UBI " and resid 34 and name HB2 ))
(( segid "UBI " and resid 36 and name HN ))
3.300 1.400 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 6.103 ppm2 1.609 CV 1
ASSI { 273}
(( segid "UBI " and resid 36 and name HG11))
(( segid "UBI " and resid 36 and name HN ))
2.100 0.500 0.500 peak 273 spectrum 1 weight 0.10000E+01 volume 0.10127E-01 ppm1 6.105 ppm2 1.359 CV 1
ASSI { 274}
(( segid "UBI " and resid 36 and name HG12))
(( segid "UBI " and resid 36 and name HN ))
3.200 1.300 1.300 peak 274 spectrum 1 weight 0.10000E+01 volume 0.28118E-02 ppm1 6.106 ppm2 1.060 CV 1
ASSI { 275}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 36 and name HN ))
3.400 1.400 1.400 peak 275 spectrum 1 weight 0.10000E+01 volume 0.18086E-02 ppm1 6.106 ppm2 0.886 CV 1
ASSI { 276}
( segid "UBI " and resid 36 and name HD1%)
(( segid "UBI " and resid 36 and name HN ))
3.600 1.600 1.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.13177E-02 ppm1 6.104 ppm2 0.745 CV 1
ASSI { 277}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 36 and name HN ))
3.400 1.400 1.400 peak 277 spectrum 1 weight 0.10000E+01 volume 0.11462E-02 ppm1 6.104 ppm2 0.648 CV 1
ASSI { 280}
(( segid "UBI " and resid 31 and name HA ))
(( segid "UBI " and resid 32 and name HN ))
3.500 1.500 1.500 peak 280 spectrum 1 weight 0.10000E+01 volume 0.70533E-03 ppm1 7.985 ppm2 3.772 CV 1
ASSI { 281}
(( segid "UBI " and resid 30 and name HA ))
(( segid "UBI " and resid 32 and name HN ))
4.400 2.400 1.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.20898E-03 ppm1 7.979 ppm2 3.440 CV 1
ASSI { 282}
(( segid "UBI " and resid 32 and name HB1 ))
(( segid "UBI " and resid 32 and name HN ))
2.400 0.700 0.700 peak 282 spectrum 1 weight 0.10000E+01 volume 0.65052E-02 ppm1 7.985 ppm2 2.806 CV 1
ASSI { 283}
(( segid "UBI " and resid 32 and name HB2 ))
(( segid "UBI " and resid 32 and name HN ))
2.500 0.800 0.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.51231E-02 ppm1 7.985 ppm2 2.686 CV 1
ASSI { 285}
(( segid "UBI " and resid 31 and name HG1 ))
(( segid "UBI " and resid 32 and name HN ))
3.500 1.500 1.500 peak 285 spectrum 1 weight 0.10000E+01 volume 0.15751E-02 ppm1 7.985 ppm2 2.232 CV 1
ASSI { 287}
(( segid "UBI " and resid 25 and name HA ))
(( segid "UBI " and resid 25 and name HN ))
2.900 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.22327E-02 ppm1 7.902 ppm2 4.435 CV 1
ASSI { 288}
(( segid "UBI " and resid 24 and name HA ))
(( segid "UBI " and resid 25 and name HN ))
3.300 1.400 1.400 peak 288 spectrum 1 weight 0.10000E+01 volume 0.97936E-03 ppm1 7.896 ppm2 4.124 CV 1
ASSI { 289}
(( segid "UBI " and resid 25 and name HB1 ))
(( segid "UBI " and resid 25 and name HN ))
2.500 0.800 0.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.52423E-02 ppm1 7.900 ppm2 3.106 CV 1
ASSI { 290}
(( segid "UBI " and resid 22 and name HB ))
(( segid "UBI " and resid 25 and name HN ))
3.700 1.700 1.700 peak 290 spectrum 1 weight 0.10000E+01 volume 0.54806E-03 ppm1 7.898 ppm2 4.666 CV 1
ASSI { 291}
(( segid "UBI " and resid 25 and name HB2 ))
(( segid "UBI " and resid 25 and name HN ))
2.700 0.900 0.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.30739E-02 ppm1 7.897 ppm2 2.842 CV 1
ASSI { 292}
(( segid "UBI " and resid 24 and name HB2 ))
(( segid "UBI " and resid 25 and name HN ))
2.700 0.900 0.900 peak 292 spectrum 1 weight 0.10000E+01 volume 0.40747E-02 ppm1 7.898 ppm2 2.565 CV 1
OR { 292}
(( segid "UBI " and resid 24 and name HB1 ))
(( segid "UBI " and resid 25 and name HN ))
ASSI { 293}
(( segid "UBI " and resid 26 and name HB ))
(( segid "UBI " and resid 25 and name HN ))
4.400 2.400 1.600 peak 293 spectrum 1 weight 0.10000E+01 volume 0.41224E-03 ppm1 7.895 ppm2 2.307 CV 1
ASSI { 295}
(( segid "UBI " and resid 67 and name HA ))
(( segid "UBI " and resid 68 and name HN ))
2.300 0.600 0.600 peak 295 spectrum 1 weight 0.10000E+01 volume 0.72439E-02 ppm1 9.011 ppm2 4.920 CV 1
ASSI { 296}
(( segid "UBI " and resid 68 and name HB2 ))
(( segid "UBI " and resid 68 and name HN ))
2.400 0.700 0.700 peak 296 spectrum 1 weight 0.10000E+01 volume 0.42176E-02 ppm1 9.011 ppm2 2.880 CV 1
ASSI { 297}
(( segid "UBI " and resid 44 and name HB ))
(( segid "UBI " and resid 68 and name HN ))
3.600 1.600 1.600 peak 297 spectrum 1 weight 0.10000E+01 volume 0.76970E-03 ppm1 9.010 ppm2 1.852 CV 1
ASSI { 298}
(( segid "UBI " and resid 6 and name HD1 ))
(( segid "UBI " and resid 68 and name HN ))
2.800 2.800 3.200 peak 298 spectrum 1 weight 0.10000E+01 volume 0.37887E-02 ppm1 9.010 ppm2 1.517 CV 1
OR { 298}
(( segid "UBI " and resid 6 and name HD2 ))
(( segid "UBI " and resid 68 and name HN ))
ASSI { 299}
( segid "UBI " and resid 67 and name HD2%)
(( segid "UBI " and resid 68 and name HN ))
3.200 1.300 1.300 peak 299 spectrum 1 weight 0.10000E+01 volume 0.70295E-03 ppm1 9.008 ppm2 0.595 CV 1
ASSI { 300}
(( segid "UBI " and resid 18 and name HA ))
(( segid "UBI " and resid 18 and name HN ))
3.000 1.100 1.100 peak 300 spectrum 1 weight 0.10000E+01 volume 0.16442E-02 ppm1 8.590 ppm2 4.763 CV 1
ASSI { 301}
(( segid "UBI " and resid 17 and name HA ))
(( segid "UBI " and resid 18 and name HN ))
2.500 0.800 0.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.45751E-02 ppm1 8.591 ppm2 4.642 CV 1
ASSI { 302}
(( segid "UBI " and resid 21 and name HB1 ))
(( segid "UBI " and resid 18 and name HN ))
3.400 1.500 1.500 peak 302 spectrum 1 weight 0.10000E+01 volume 0.11605E-02 ppm1 8.591 ppm2 2.910 CV 1
ASSI { 303}
(( segid "UBI " and resid 17 and name HB ))
(( segid "UBI " and resid 18 and name HN ))
2.300 0.600 0.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.84356E-02 ppm1 8.590 ppm2 2.274 CV 1
ASSI { 304}
(( segid "UBI " and resid 18 and name HB1 ))
(( segid "UBI " and resid 18 and name HN ))
2.700 0.900 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.56712E-02 ppm1 8.591 ppm2 2.148 CV 1
ASSI { 305}
(( segid "UBI " and resid 18 and name HB2 ))
(( segid "UBI " and resid 18 and name HN ))
2.600 0.800 0.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.30501E-02 ppm1 8.592 ppm2 1.642 CV 1
ASSI { 306}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 18 and name HN ))
3.400 1.500 1.500 peak 306 spectrum 1 weight 0.10000E+01 volume 0.16394E-02 ppm1 8.592 ppm2 0.661 CV 1
ASSI { 307}
( segid "UBI " and resid 17 and name HG2%)
(( segid "UBI " and resid 18 and name HN ))
3.600 1.600 1.600 peak 307 spectrum 1 weight 0.10000E+01 volume 0.88877E-03 ppm1 8.592 ppm2 0.385 CV 1
ASSI { 308}
(( segid "UBI " and resid 54 and name HA ))
(( segid "UBI " and resid 54 and name HN ))
2.900 1.100 1.100 peak 308 spectrum 1 weight 0.10000E+01 volume 0.20564E-02 ppm1 7.347 ppm2 4.661 CV 1
ASSI { 309}
(( segid "UBI " and resid 53 and name HA1 ))
(( segid "UBI " and resid 54 and name HN ))
2.800 1.000 1.000 peak 309 spectrum 1 weight 0.10000E+01 volume 0.23328E-02 ppm1 7.342 ppm2 3.979 CV 1
ASSI { 310}
(( segid "UBI " and resid 23 and name HB ))
(( segid "UBI " and resid 54 and name HN ))
3.500 1.500 1.500 peak 310 spectrum 1 weight 0.10000E+01 volume 0.89832E-03 ppm1 7.348 ppm2 2.350 CV 1
ASSI { 311}
(( segid "UBI " and resid 54 and name HB1 ))
(( segid "UBI " and resid 54 and name HN ))
2.900 1.000 1.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.55997E-02 ppm1 7.342 ppm2 2.188 CV 1
ASSI { 312}
(( segid "UBI " and resid 54 and name HG1 ))
(( segid "UBI " and resid 54 and name HN ))
3.000 1.100 1.100 peak 312 spectrum 1 weight 0.10000E+01 volume 0.20254E-02 ppm1 7.342 ppm2 1.781 CV 1
ASSI { 313}
(( segid "UBI " and resid 54 and name HG2 ))
(( segid "UBI " and resid 54 and name HN ))
2.900 1.100 1.100 peak 313 spectrum 1 weight 0.10000E+01 volume 0.22018E-02 ppm1 7.342 ppm2 1.556 CV 1
ASSI { 314}
(( segid "UBI " and resid 52 and name HA ))
(( segid "UBI " and resid 54 and name HN ))
4.000 2.000 2.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.41700E-03 ppm1 7.346 ppm2 4.248 CV 1
ASSI { 315}
(( segid "UBI " and resid 54 and name HD2 ))
(( segid "UBI " and resid 54 and name HN ))
4.400 2.400 1.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.36934E-03 ppm1 7.341 ppm2 3.071 CV 1
ASSI { 316}
(( segid "UBI " and resid 51 and name HB2 ))
(( segid "UBI " and resid 54 and name HN ))
3.700 1.700 1.700 peak 316 spectrum 1 weight 0.10000E+01 volume 0.59810E-03 ppm1 7.339 ppm2 1.925 CV 1
ASSI { 317}
(( segid "UBI " and resid 23 and name HG12))
(( segid "UBI " and resid 54 and name HN ))
3.700 1.700 1.700 peak 317 spectrum 1 weight 0.10000E+01 volume 0.50278E-03 ppm1 7.340 ppm2 1.238 CV 1
ASSI { 318}
(( segid "UBI " and resid 4 and name HA ))
(( segid "UBI " and resid 4 and name HN ))
3.100 1.200 1.200 peak 318 spectrum 1 weight 0.10000E+01 volume 0.12391E-02 ppm1 8.435 ppm2 5.525 CV 1
ASSI { 319}
(( segid "UBI " and resid 66 and name HA ))
(( segid "UBI " and resid 4 and name HN ))
3.000 1.100 1.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.16155E-02 ppm1 8.439 ppm2 5.124 CV 1
ASSI { 320}
(( segid "UBI " and resid 3 and name HA ))
(( segid "UBI " and resid 4 and name HN ))
2.400 0.700 0.700 peak 320 spectrum 1 weight 0.10000E+01 volume 0.61954E-02 ppm1 8.437 ppm2 4.076 CV 1
ASSI { 321}
(( segid "UBI " and resid 4 and name HB1 ))
(( segid "UBI " and resid 4 and name HN ))
3.300 1.400 1.400 peak 321 spectrum 1 weight 0.10000E+01 volume 0.27403E-02 ppm1 8.439 ppm2 2.935 CV 1
ASSI { 322}
(( segid "UBI " and resid 4 and name HB2 ))
(( segid "UBI " and resid 4 and name HN ))
3.100 1.200 1.200 peak 322 spectrum 1 weight 0.10000E+01 volume 0.10604E-02 ppm1 8.436 ppm2 2.788 CV 1
ASSI { 323}
(( segid "UBI " and resid 3 and name HB ))
(( segid "UBI " and resid 4 and name HN ))
2.300 0.700 0.700 peak 323 spectrum 1 weight 0.10000E+01 volume 0.62669E-02 ppm1 8.437 ppm2 1.662 CV 1
ASSI { 324}
(( segid "UBI " and resid 3 and name HG11))
(( segid "UBI " and resid 4 and name HN ))
3.700 1.700 1.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.61240E-03 ppm1 8.439 ppm2 1.006 CV 1
ASSI { 325}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 4 and name HN ))
3.400 1.400 1.400 peak 325 spectrum 1 weight 0.10000E+01 volume 0.21708E-02 ppm1 8.436 ppm2 0.551 CV 1
OR { 325}
( segid "UBI " and resid 3 and name HD1%)
(( segid "UBI " and resid 4 and name HN ))
ASSI { 327}
(( segid "UBI " and resid 24 and name HA ))
(( segid "UBI " and resid 27 and name HN ))
3.100 1.200 1.200 peak 327 spectrum 1 weight 0.10000E+01 volume 0.14344E-02 ppm1 8.499 ppm2 4.120 CV 1
ASSI { 328}
(( segid "UBI " and resid 26 and name HA ))
(( segid "UBI " and resid 27 and name HN ))
4.100 2.100 1.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.29071E-03 ppm1 8.499 ppm2 3.307 CV 1
ASSI { 329}
(( segid "UBI " and resid 26 and name HB ))
(( segid "UBI " and resid 27 and name HN ))
2.500 0.800 0.800 peak 329 spectrum 1 weight 0.10000E+01 volume 0.34313E-02 ppm1 8.500 ppm2 2.283 CV 1
ASSI { 330}
(( segid "UBI " and resid 27 and name HB1 ))
(( segid "UBI " and resid 27 and name HN ))
3.200 1.300 1.300 peak 330 spectrum 1 weight 0.10000E+01 volume 0.30024E-02 ppm1 8.501 ppm2 2.014 CV 1
ASSI { 331}
(( segid "UBI " and resid 27 and name HD2 ))
(( segid "UBI " and resid 27 and name HN ))
3.300 1.300 1.300 peak 331 spectrum 1 weight 0.10000E+01 volume 0.28118E-02 ppm1 8.500 ppm2 1.665 CV 1
OR { 331}
(( segid "UBI " and resid 27 and name HD1 ))
(( segid "UBI " and resid 27 and name HN ))
ASSI { 332}
(( segid "UBI " and resid 27 and name HG1 ))
(( segid "UBI " and resid 27 and name HN ))
2.300 0.700 0.700 peak 332 spectrum 1 weight 0.10000E+01 volume 0.45751E-02 ppm1 8.501 ppm2 1.542 CV 1
ASSI { 333}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 27 and name HN ))
3.000 1.100 1.100 peak 333 spectrum 1 weight 0.10000E+01 volume 0.49086E-02 ppm1 8.500 ppm2 1.383 CV 1
ASSI { 334}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 27 and name HN ))
4.000 2.000 2.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.56474E-03 ppm1 8.500 ppm2 0.912 CV 1
ASSI { 336}
( segid "UBI " and resid 26 and name HG2%)
(( segid "UBI " and resid 27 and name HN ))
3.500 1.500 1.500 peak 336 spectrum 1 weight 0.10000E+01 volume 0.17895E-02 ppm1 8.499 ppm2 0.638 CV 1
ASSI { 338}
(( segid "UBI " and resid 60 and name HA ))
(( segid "UBI " and resid 61 and name HN ))
2.700 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.33360E-02 ppm1 7.099 ppm2 4.265 CV 1
ASSI { 339}
(( segid "UBI " and resid 61 and name HA ))
(( segid "UBI " and resid 61 and name HN ))
2.800 1.000 1.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.26212E-02 ppm1 7.098 ppm2 3.329 CV 1
ASSI { 340}
(( segid "UBI " and resid 59 and name HB2 ))
(( segid "UBI " and resid 61 and name HN ))
3.800 1.800 1.800 peak 340 spectrum 1 weight 0.10000E+01 volume 0.54568E-03 ppm1 7.101 ppm2 2.432 CV 1
ASSI { 341}
(( segid "UBI " and resid 61 and name HB ))
(( segid "UBI " and resid 61 and name HN ))
2.400 0.700 0.700 peak 341 spectrum 1 weight 0.10000E+01 volume 0.61954E-02 ppm1 7.100 ppm2 1.325 CV 1
ASSI { 342}
(( segid "UBI " and resid 61 and name HG11))
(( segid "UBI " and resid 61 and name HN ))
2.500 0.800 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.33599E-02 ppm1 7.101 ppm2 1.053 CV 1
ASSI { 343}
( segid "UBI " and resid 61 and name HD1%)
(( segid "UBI " and resid 61 and name HN ))
3.800 1.800 1.800 peak 343 spectrum 1 weight 0.10000E+01 volume 0.10771E-02 ppm1 7.098 ppm2 0.335 CV 1
ASSI { 344}
( segid "UBI " and resid 61 and name HG2%)
(( segid "UBI " and resid 61 and name HN ))
3.900 1.900 1.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.89832E-03 ppm1 7.098 ppm2 0.411 CV 1
ASSI { 345}
(( segid "UBI " and resid 61 and name HG12))
(( segid "UBI " and resid 61 and name HN ))
3.700 1.700 1.700 peak 345 spectrum 1 weight 0.10000E+01 volume 0.12891E-02 ppm1 7.098 ppm2 -0.291 CV 1
ASSI { 346}
(( segid "UBI " and resid 55 and name HA ))
(( segid "UBI " and resid 56 and name HN ))
2.500 0.800 0.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.44559E-02 ppm1 8.100 ppm2 5.152 CV 1
ASSI { 347}
(( segid "UBI " and resid 22 and name HA ))
(( segid "UBI " and resid 56 and name HN ))
3.800 1.800 1.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.59333E-03 ppm1 8.099 ppm2 4.898 CV 1
ASSI { 348}
(( segid "UBI " and resid 55 and name HB ))
(( segid "UBI " and resid 56 and name HN ))
2.400 0.700 0.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.43368E-02 ppm1 8.100 ppm2 4.428 CV 1
ASSI { 349}
(( segid "UBI " and resid 56 and name HA ))
(( segid "UBI " and resid 56 and name HN ))
2.800 1.000 1.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.22780E-02 ppm1 8.100 ppm2 3.985 CV 1
ASSI { 350}
(( segid "UBI " and resid 56 and name HB1 ))
(( segid "UBI " and resid 56 and name HN ))
3.300 1.300 1.300 peak 350 spectrum 1 weight 0.10000E+01 volume 0.29786E-02 ppm1 8.099 ppm2 1.997 CV 1
ASSI { 351}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 56 and name HN ))
2.900 2.900 3.100 peak 351 spectrum 1 weight 0.10000E+01 volume 0.50278E-02 ppm1 8.099 ppm2 1.619 CV 1
ASSI { 352}
(( segid "UBI " and resid 56 and name HB2 ))
(( segid "UBI " and resid 56 and name HN ))
2.800 1.000 1.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.14988E-02 ppm1 8.100 ppm2 1.214 CV 1
ASSI { 353}
( segid "UBI " and resid 55 and name HG2%)
(( segid "UBI " and resid 56 and name HN ))
4.000 2.000 2.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.93644E-03 ppm1 8.101 ppm2 1.097 CV 1
ASSI { 354}
( segid "UBI " and resid 56 and name HD1%)
(( segid "UBI " and resid 56 and name HN ))
3.600 1.600 1.600 peak 354 spectrum 1 weight 0.10000E+01 volume 0.68150E-03 ppm1 8.099 ppm2 0.695 CV 1
ASSI { 356}
(( segid "UBI " and resid 22 and name HB ))
(( segid "UBI " and resid 24 and name HN ))
2.900 1.000 1.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.19706E-02 ppm1 9.413 ppm2 4.672 CV 1
ASSI { 357}
(( segid "UBI " and resid 52 and name HA ))
(( segid "UBI " and resid 24 and name HN ))
3.400 1.400 1.400 peak 357 spectrum 1 weight 0.10000E+01 volume 0.96745E-03 ppm1 9.415 ppm2 4.243 CV 1
ASSI { 358}
(( segid "UBI " and resid 24 and name HA ))
(( segid "UBI " and resid 24 and name HN ))
3.000 1.100 1.100 peak 358 spectrum 1 weight 0.10000E+01 volume 0.18110E-02 ppm1 9.415 ppm2 4.128 CV 1
ASSI { 359}
(( segid "UBI " and resid 24 and name HB2 ))
(( segid "UBI " and resid 24 and name HN ))
2.700 0.900 0.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.33360E-02 ppm1 9.414 ppm2 2.565 CV 1
OR { 359}
(( segid "UBI " and resid 24 and name HB1 ))
(( segid "UBI " and resid 24 and name HN ))
ASSI { 360}
(( segid "UBI " and resid 23 and name HB ))
(( segid "UBI " and resid 24 and name HN ))
2.900 1.000 1.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.19277E-02 ppm1 9.415 ppm2 2.350 CV 1
ASSI { 361}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 24 and name HN ))
3.800 1.800 1.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.61240E-03 ppm1 9.414 ppm2 0.709 CV 1
ASSI { 362}
(( segid "UBI " and resid 23 and name HA ))
(( segid "UBI " and resid 24 and name HN ))
4.400 2.400 1.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.18419E-03 ppm1 9.412 ppm2 3.553 CV 1
ASSI { 363}
(( segid "UBI " and resid 40 and name HA ))
(( segid "UBI " and resid 41 and name HN ))
3.000 1.100 1.100 peak 363 spectrum 1 weight 0.10000E+01 volume 0.19849E-02 ppm1 7.379 ppm2 4.339 CV 1
ASSI { 364}
(( segid "UBI " and resid 38 and name HA ))
(( segid "UBI " and resid 41 and name HN ))
2.800 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.28356E-02 ppm1 7.377 ppm2 4.067 CV 1
ASSI { 365}
(( segid "UBI " and resid 41 and name HG1 ))
(( segid "UBI " and resid 41 and name HN ))
2.400 0.700 0.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.37887E-02 ppm1 7.376 ppm2 2.507 CV 1
ASSI { 366}
(( segid "UBI " and resid 41 and name HB1 ))
(( segid "UBI " and resid 41 and name HN ))
2.800 1.000 1.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.69818E-02 ppm1 7.376 ppm2 1.919 CV 1
ASSI { 367}
(( segid "UBI " and resid 41 and name HG2 ))
(( segid "UBI " and resid 41 and name HN ))
3.300 1.400 1.400 peak 367 spectrum 1 weight 0.10000E+01 volume 0.25497E-02 ppm1 7.377 ppm2 1.609 CV 1
ASSI { 369}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 41 and name HN ))
3.800 1.800 1.800 peak 369 spectrum 1 weight 0.10000E+01 volume 0.67435E-03 ppm1 7.377 ppm2 0.892 CV 1
ASSI { 371}
(( segid "UBI " and resid 2 and name HA ))
(( segid "UBI " and resid 17 and name HN ))
3.600 1.600 1.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.67673E-03 ppm1 8.799 ppm2 5.205 CV 1
ASSI { 372}
(( segid "UBI " and resid 16 and name HA ))
(( segid "UBI " and resid 17 and name HN ))
2.100 0.600 0.600 peak 372 spectrum 1 weight 0.10000E+01 volume 0.10175E-01 ppm1 8.802 ppm2 4.827 CV 1
ASSI { 373}
(( segid "UBI " and resid 17 and name HA ))
(( segid "UBI " and resid 17 and name HN ))
2.900 1.100 1.100 peak 373 spectrum 1 weight 0.10000E+01 volume 0.18872E-02 ppm1 8.795 ppm2 4.648 CV 1
ASSI { 377}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 17 and name HN ))
3.200 1.300 1.300 peak 377 spectrum 1 weight 0.10000E+01 volume 0.11390E-02 ppm1 8.804 ppm2 0.655 CV 1
ASSI { 378}
( segid "UBI " and resid 17 and name HG2%)
(( segid "UBI " and resid 17 and name HN ))
2.500 0.800 0.800 peak 378 spectrum 1 weight 0.10000E+01 volume 0.45751E-02 ppm1 8.803 ppm2 0.385 CV 1
ASSI { 379}
(( segid "UBI " and resid 66 and name HA ))
(( segid "UBI " and resid 66 and name HN ))
3.200 1.300 1.300 peak 379 spectrum 1 weight 0.10000E+01 volume 0.10247E-02 ppm1 8.530 ppm2 5.124 CV 1
ASSI { 380}
(( segid "UBI " and resid 66 and name HB ))
(( segid "UBI " and resid 66 and name HN ))
2.500 0.800 0.800 peak 380 spectrum 1 weight 0.10000E+01 volume 0.47419E-02 ppm1 8.532 ppm2 3.925 CV 1
ASSI { 381}
(( segid "UBI " and resid 65 and name HB1 ))
(( segid "UBI " and resid 66 and name HN ))
2.600 0.900 0.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.41700E-02 ppm1 8.531 ppm2 3.815 CV 1
ASSI { 382}
(( segid "UBI " and resid 65 and name HB2 ))
(( segid "UBI " and resid 66 and name HN ))
3.400 1.500 1.500 peak 382 spectrum 1 weight 0.10000E+01 volume 0.11509E-02 ppm1 8.534 ppm2 3.538 CV 1
ASSI { 383}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 66 and name HN ))
4.200 2.200 1.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.50516E-03 ppm1 8.529 ppm2 0.754 CV 1
ASSI { 384}
(( segid "UBI " and resid 18 and name HA ))
(( segid "UBI " and resid 19 and name HN ))
2.900 1.100 1.100 peak 384 spectrum 1 weight 0.10000E+01 volume 0.17109E-02 ppm1 9.086 ppm2 4.770 CV 1
ASSI { 385}
(( segid "UBI " and resid 19 and name HB1 ))
(( segid "UBI " and resid 19 and name HN ))
3.000 1.100 1.100 peak 385 spectrum 1 weight 0.10000E+01 volume 0.16942E-02 ppm1 9.086 ppm2 3.867 CV 1
OR { 385}
(( segid "UBI " and resid 19 and name HB2 ))
(( segid "UBI " and resid 19 and name HN ))
ASSI { 386}
(( segid "UBI " and resid 18 and name HB1 ))
(( segid "UBI " and resid 19 and name HN ))
3.600 1.600 1.600 peak 386 spectrum 1 weight 0.10000E+01 volume 0.56236E-03 ppm1 9.087 ppm2 2.132 CV 1
ASSI { 388}
(( segid "UBI " and resid 25 and name HA ))
(( segid "UBI " and resid 28 and name HN ))
3.100 1.200 1.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.14750E-02 ppm1 8.059 ppm2 4.437 CV 1
ASSI { 389}
(( segid "UBI " and resid 28 and name HB2 ))
(( segid "UBI " and resid 28 and name HN ))
2.300 0.600 0.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.88877E-02 ppm1 8.059 ppm2 4.060 CV 1
OR { 389}
(( segid "UBI " and resid 28 and name HB1 ))
(( segid "UBI " and resid 28 and name HN ))
ASSI { 390}
(( segid "UBI " and resid 27 and name HB1 ))
(( segid "UBI " and resid 28 and name HN ))
3.000 1.100 1.100 peak 390 spectrum 1 weight 0.10000E+01 volume 0.29309E-02 ppm1 8.059 ppm2 2.017 CV 1
ASSI { 391}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 28 and name HN ))
3.000 1.100 1.100 peak 391 spectrum 1 weight 0.10000E+01 volume 0.13511E-02 ppm1 8.059 ppm2 1.389 CV 1
ASSI { 392}
(( segid "UBI " and resid 27 and name HD2 ))
(( segid "UBI " and resid 28 and name HN ))
4.400 2.400 1.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.49086E-03 ppm1 8.060 ppm2 1.658 CV 1
OR { 392}
(( segid "UBI " and resid 27 and name HD1 ))
(( segid "UBI " and resid 28 and name HN ))
ASSI { 394}
(( segid "UBI " and resid 28 and name HA ))
(( segid "UBI " and resid 28 and name HN ))
2.600 0.800 0.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.41700E-02 ppm1 8.058 ppm2 4.168 CV 1
ASSI { 395}
(( segid "UBI " and resid 40 and name HA ))
(( segid "UBI " and resid 40 and name HN ))
2.600 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.37411E-02 ppm1 7.742 ppm2 4.338 CV 1
ASSI { 396}
(( segid "UBI " and resid 38 and name HA ))
(( segid "UBI " and resid 40 and name HN ))
3.500 1.600 1.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.72677E-03 ppm1 7.746 ppm2 4.067 CV 1
ASSI { 398}
(( segid "UBI " and resid 37 and name HB2 ))
(( segid "UBI " and resid 40 and name HN ))
2.900 1.000 1.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.16108E-02 ppm1 7.744 ppm2 1.931 CV 1
ASSI { 399}
(( segid "UBI " and resid 40 and name HB2 ))
(( segid "UBI " and resid 40 and name HN ))
2.400 0.700 0.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.57903E-02 ppm1 7.743 ppm2 1.777 CV 1
ASSI { 400}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 40 and name HN ))
3.700 1.700 1.700 peak 400 spectrum 1 weight 0.10000E+01 volume 0.83401E-03 ppm1 7.738 ppm2 0.889 CV 1
ASSI { 401}
(( segid "UBI " and resid 60 and name HA ))
(( segid "UBI " and resid 60 and name HN ))
2.200 0.600 0.600 peak 401 spectrum 1 weight 0.10000E+01 volume 0.11200E-01 ppm1 8.049 ppm2 4.272 CV 1
ASSI { 402}
(( segid "UBI " and resid 59 and name HB1 ))
(( segid "UBI " and resid 60 and name HN ))
4.100 2.100 1.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.51946E-03 ppm1 8.051 ppm2 3.399 CV 1
ASSI { 403}
(( segid "UBI " and resid 60 and name HB1 ))
(( segid "UBI " and resid 60 and name HN ))
3.800 1.800 1.800 peak 403 spectrum 1 weight 0.10000E+01 volume 0.89359E-03 ppm1 8.050 ppm2 3.240 CV 1
ASSI { 404}
(( segid "UBI " and resid 57 and name HB1 ))
(( segid "UBI " and resid 60 and name HN ))
3.900 1.900 1.900 peak 404 spectrum 1 weight 0.10000E+01 volume 0.51946E-03 ppm1 8.053 ppm2 3.821 CV 1
ASSI { 405}
(( segid "UBI " and resid 60 and name HB2 ))
(( segid "UBI " and resid 60 and name HN ))
3.200 1.200 1.200 peak 405 spectrum 1 weight 0.10000E+01 volume 0.14011E-02 ppm1 8.049 ppm2 2.738 CV 1
ASSI { 406}
(( segid "UBI " and resid 59 and name HB2 ))
(( segid "UBI " and resid 60 and name HN ))
3.700 1.700 1.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.57665E-03 ppm1 8.044 ppm2 2.446 CV 1
ASSI { 408}
(( segid "UBI " and resid 30 and name HA ))
(( segid "UBI " and resid 33 and name HN ))
3.400 1.400 1.400 peak 408 spectrum 1 weight 0.10000E+01 volume 0.88167E-03 ppm1 7.414 ppm2 3.448 CV 1
ASSI { 409}
(( segid "UBI " and resid 32 and name HB1 ))
(( segid "UBI " and resid 33 and name HN ))
2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.27164E-02 ppm1 7.414 ppm2 2.802 CV 1
ASSI { 410}
(( segid "UBI " and resid 32 and name HB2 ))
(( segid "UBI " and resid 33 and name HN ))
3.200 1.300 1.300 peak 410 spectrum 1 weight 0.10000E+01 volume 0.29071E-02 ppm1 7.415 ppm2 2.693 CV 1
ASSI { 411}
(( segid "UBI " and resid 33 and name HB1 ))
(( segid "UBI " and resid 33 and name HN ))
2.900 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.25735E-02 ppm1 7.413 ppm2 1.970 CV 1
ASSI { 412}
(( segid "UBI " and resid 33 and name HB2 ))
(( segid "UBI " and resid 33 and name HN ))
2.400 0.700 0.700 peak 412 spectrum 1 weight 0.10000E+01 volume 0.52185E-02 ppm1 7.414 ppm2 1.776 CV 1
ASSI { 413}
(( segid "UBI " and resid 33 and name HG1 ))
(( segid "UBI " and resid 33 and name HN ))
2.800 1.000 1.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.38841E-02 ppm1 7.415 ppm2 1.547 CV 1
OR { 413}
(( segid "UBI " and resid 33 and name HG2 ))
(( segid "UBI " and resid 33 and name HN ))
ASSI { 415}
(( segid "UBI " and resid 59 and name HA ))
(( segid "UBI " and resid 59 and name HN ))
3.000 1.100 1.100 peak 415 spectrum 1 weight 0.10000E+01 volume 0.18300E-02 ppm1 7.165 ppm2 4.600 CV 1
ASSI { 417}
(( segid "UBI " and resid 56 and name HA ))
(( segid "UBI " and resid 59 and name HN ))
4.000 2.000 2.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.31930E-03 ppm1 7.163 ppm2 3.989 CV 1
ASSI { 418}
(( segid "UBI " and resid 59 and name HB1 ))
(( segid "UBI " and resid 59 and name HN ))
3.600 1.600 1.600 peak 418 spectrum 1 weight 0.10000E+01 volume 0.16942E-02 ppm1 7.165 ppm2 3.402 CV 1
ASSI { 419}
(( segid "UBI " and resid 58 and name HB1 ))
(( segid "UBI " and resid 59 and name HN ))
3.100 1.200 1.200 peak 419 spectrum 1 weight 0.10000E+01 volume 0.14917E-02 ppm1 7.166 ppm2 2.905 CV 1
ASSI { 420}
(( segid "UBI " and resid 59 and name HB2 ))
(( segid "UBI " and resid 59 and name HN ))
2.400 0.700 0.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.46228E-02 ppm1 7.167 ppm2 2.442 CV 1
ASSI { 421}
(( segid "UBI " and resid 58 and name HB2 ))
(( segid "UBI " and resid 59 and name HN ))
3.500 1.500 1.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.94125E-03 ppm1 7.172 ppm2 2.203 CV 1
ASSI { 422}
(( segid "UBI " and resid 61 and name HG11))
(( segid "UBI " and resid 59 and name HN ))
4.200 2.200 1.800 peak 422 spectrum 1 weight 0.10000E+01 volume 0.31930E-03 ppm1 7.171 ppm2 1.058 CV 1
ASSI { 423}
( segid "UBI " and resid 61 and name HD1%)
(( segid "UBI " and resid 59 and name HN ))
3.400 1.500 1.500 peak 423 spectrum 1 weight 0.10000E+01 volume 0.47657E-03 ppm1 7.162 ppm2 0.335 CV 1
ASSI { 424}
(( segid "UBI " and resid 2 and name HA ))
(( segid "UBI " and resid 3 and name HN ))
2.100 0.500 0.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.11175E-01 ppm1 8.240 ppm2 5.208 CV 1
ASSI { 425}
(( segid "UBI " and resid 16 and name HA ))
(( segid "UBI " and resid 3 and name HN ))
3.500 1.500 1.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.11223E-02 ppm1 8.239 ppm2 4.838 CV 1
ASSI { 426}
(( segid "UBI " and resid 3 and name HA ))
(( segid "UBI " and resid 3 and name HN ))
3.100 1.200 1.200 peak 426 spectrum 1 weight 0.10000E+01 volume 0.12391E-02 ppm1 8.240 ppm2 4.084 CV 1
ASSI { 427}
(( segid "UBI " and resid 2 and name HG2 ))
(( segid "UBI " and resid 3 and name HN ))
4.200 2.200 1.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.48849E-03 ppm1 8.240 ppm2 1.876 CV 1
ASSI { 428}
(( segid "UBI " and resid 2 and name HB1 ))
(( segid "UBI " and resid 3 and name HN ))
4.000 2.000 2.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.38602E-03 ppm1 8.241 ppm2 1.792 CV 1
ASSI { 429}
(( segid "UBI " and resid 3 and name HB ))
(( segid "UBI " and resid 3 and name HN ))
4.200 2.200 1.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.33599E-03 ppm1 8.240 ppm2 1.657 CV 1
ASSI { 430}
(( segid "UBI " and resid 2 and name HB2 ))
(( segid "UBI " and resid 3 and name HN ))
3.400 1.500 1.500 peak 430 spectrum 1 weight 0.10000E+01 volume 0.12915E-02 ppm1 8.240 ppm2 1.533 CV 1
ASSI { 431}
(( segid "UBI " and resid 15 and name HB1 ))
(( segid "UBI " and resid 3 and name HN ))
3.800 1.800 1.800 peak 431 spectrum 1 weight 0.10000E+01 volume 0.41700E-03 ppm1 8.246 ppm2 1.334 CV 1
ASSI { 432}
(( segid "UBI " and resid 3 and name HG11))
(( segid "UBI " and resid 3 and name HN ))
3.100 1.200 1.200 peak 432 spectrum 1 weight 0.10000E+01 volume 0.20993E-02 ppm1 8.241 ppm2 1.020 CV 1
ASSI { 433}
(( segid "UBI " and resid 3 and name HG12))
(( segid "UBI " and resid 3 and name HN ))
2.600 0.900 0.900 peak 433 spectrum 1 weight 0.10000E+01 volume 0.23352E-02 ppm1 8.241 ppm2 0.778 CV 1
ASSI { 435}
( segid "UBI " and resid 3 and name HD1%)
(( segid "UBI " and resid 3 and name HN ))
3.800 1.800 1.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.17514E-02 ppm1 8.241 ppm2 0.542 CV 1
ASSI { 436}
( segid "UBI " and resid 17 and name HG2%)
(( segid "UBI " and resid 3 and name HN ))
3.800 1.800 1.800 peak 436 spectrum 1 weight 0.10000E+01 volume 0.74583E-03 ppm1 8.242 ppm2 0.377 CV 1
ASSI { 437}
(( segid "UBI " and resid 75 and name HA2 ))
(( segid "UBI " and resid 76 and name HN ))
4.100 2.100 1.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.32645E-03 ppm1 7.781 ppm2 3.931 CV 1
OR { 437}
(( segid "UBI " and resid 75 and name HA1 ))
(( segid "UBI " and resid 76 and name HN ))
ASSI { 438}
(( segid "UBI " and resid 76 and name HA2 ))
(( segid "UBI " and resid 76 and name HN ))
3.900 1.900 1.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.43368E-03 ppm1 7.783 ppm2 3.722 CV 1
OR { 438}
(( segid "UBI " and resid 76 and name HA1 ))
(( segid "UBI " and resid 76 and name HN ))
ASSI { 439}
(( segid "UBI " and resid 3 and name HA ))
(( segid "UBI " and resid 65 and name HN ))
3.300 1.300 1.300 peak 439 spectrum 1 weight 0.10000E+01 volume 0.10175E-02 ppm1 7.519 ppm2 4.078 CV 1
ASSI { 440}
(( segid "UBI " and resid 63 and name HA ))
(( segid "UBI " and resid 65 and name HN ))
3.500 1.500 1.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.75537E-03 ppm1 7.517 ppm2 3.914 CV 1
ASSI { 441}
(( segid "UBI " and resid 65 and name HB1 ))
(( segid "UBI " and resid 65 and name HN ))
3.200 1.300 1.300 peak 441 spectrum 1 weight 0.10000E+01 volume 0.15084E-02 ppm1 7.520 ppm2 3.816 CV 1
ASSI { 442}
(( segid "UBI " and resid 65 and name HB2 ))
(( segid "UBI " and resid 65 and name HN ))
2.700 0.900 0.900 peak 442 spectrum 1 weight 0.10000E+01 volume 0.30501E-02 ppm1 7.520 ppm2 3.540 CV 1
ASSI { 444}
(( segid "UBI " and resid 64 and name HA ))
(( segid "UBI " and resid 65 and name HN ))
3.000 1.100 1.100 peak 444 spectrum 1 weight 0.10000E+01 volume 0.17585E-02 ppm1 7.521 ppm2 3.265 CV 1
ASSI { 445}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 65 and name HN ))
2.800 1.000 1.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.24305E-02 ppm1 7.520 ppm2 0.549 CV 1
ASSI { 446}
( segid "UBI " and resid 61 and name HG2%)
(( segid "UBI " and resid 65 and name HN ))
3.600 1.700 1.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.70771E-03 ppm1 7.523 ppm2 0.407 CV 1
ASSI { 447}
(( segid "UBI " and resid 1 and name HG1 ))
(( segid "UBI " and resid 65 and name HN ))
4.200 2.200 1.800 peak 447 spectrum 1 weight 0.10000E+01 volume 0.30739E-03 ppm1 7.515 ppm2 2.440 CV 1
ASSI { 448}
(( segid "UBI " and resid 64 and name HB2 ))
(( segid "UBI " and resid 65 and name HN ))
4.200 2.200 1.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.24067E-03 ppm1 7.515 ppm2 2.336 CV 1
ASSI { 449}
(( segid "UBI " and resid 1 and name HB1 ))
(( segid "UBI " and resid 65 and name HN ))
4.500 2.500 1.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.38841E-03 ppm1 7.513 ppm2 2.160 CV 1
ASSI { 452}
(( segid "UBI " and resid 3 and name HA ))
(( segid "UBI " and resid 64 and name HN ))
3.200 1.300 1.300 peak 452 spectrum 1 weight 0.10000E+01 volume 0.12105E-02 ppm1 9.133 ppm2 4.066 CV 1
ASSI { 453}
(( segid "UBI " and resid 63 and name HA ))
(( segid "UBI " and resid 64 and name HN ))
2.300 0.700 0.700 peak 453 spectrum 1 weight 0.10000E+01 volume 0.73153E-02 ppm1 9.133 ppm2 3.916 CV 1
ASSI { 454}
(( segid "UBI " and resid 64 and name HA ))
(( segid "UBI " and resid 64 and name HN ))
2.300 0.700 0.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.64337E-02 ppm1 9.132 ppm2 3.262 CV 1
ASSI { 456}
(( segid "UBI " and resid 64 and name HB2 ))
(( segid "UBI " and resid 64 and name HN ))
3.700 1.700 1.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.65528E-03 ppm1 9.136 ppm2 2.340 CV 1
ASSI { 457}
(( segid "UBI " and resid 64 and name HG1 ))
(( segid "UBI " and resid 64 and name HN ))
3.000 1.100 1.100 peak 457 spectrum 1 weight 0.10000E+01 volume 0.19349E-02 ppm1 9.134 ppm2 2.177 CV 1
OR { 457}
(( segid "UBI " and resid 64 and name HG2 ))
(( segid "UBI " and resid 64 and name HN ))
ASSI { 459}
(( segid "UBI " and resid 63 and name HB2 ))
(( segid "UBI " and resid 64 and name HN ))
3.700 1.700 1.700 peak 459 spectrum 1 weight 0.10000E+01 volume 0.63384E-03 ppm1 9.130 ppm2 1.835 CV 1
ASSI { 460}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 64 and name HN ))
4.400 2.400 1.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.29786E-03 ppm1 9.132 ppm2 1.641 CV 1
ASSI { 461}
(( segid "UBI " and resid 63 and name HG1 ))
(( segid "UBI " and resid 64 and name HN ))
4.300 2.300 1.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.31692E-03 ppm1 9.132 ppm2 1.435 CV 1
OR { 461}
(( segid "UBI " and resid 63 and name HG2 ))
(( segid "UBI " and resid 64 and name HN ))
ASSI { 462}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 64 and name HN ))
3.500 1.600 1.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.74107E-03 ppm1 9.134 ppm2 0.550 CV 1
ASSI { 463}
(( segid "UBI " and resid 6 and name HA ))
(( segid "UBI " and resid 7 and name HN ))
2.200 0.600 0.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.74107E-02 ppm1 8.342 ppm2 5.139 CV 1
ASSI { 464}
(( segid "UBI " and resid 7 and name HA ))
(( segid "UBI " and resid 7 and name HN ))
2.900 1.100 1.100 peak 464 spectrum 1 weight 0.10000E+01 volume 0.14344E-02 ppm1 8.342 ppm2 4.842 CV 1
ASSI { 465}
(( segid "UBI " and resid 12 and name HA ))
(( segid "UBI " and resid 7 and name HN ))
3.900 1.900 1.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.70056E-03 ppm1 8.341 ppm2 4.935 CV 1
ASSI { 467}
(( segid "UBI " and resid 6 and name HG1 ))
(( segid "UBI " and resid 7 and name HN ))
4.100 2.100 1.900 peak 467 spectrum 1 weight 0.10000E+01 volume 0.51231E-03 ppm1 8.341 ppm2 1.385 CV 1
OR { 467}
(( segid "UBI " and resid 6 and name HB2 ))
(( segid "UBI " and resid 7 and name HN ))
ASSI { 468}
(( segid "UBI " and resid 13 and name HG12))
(( segid "UBI " and resid 7 and name HN ))
2.500 2.500 3.500 peak 468 spectrum 1 weight 0.10000E+01 volume 0.30501E-02 ppm1 8.340 ppm2 1.078 CV 1
ASSI { 469}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 7 and name HN ))
4.300 2.300 1.700 peak 469 spectrum 1 weight 0.10000E+01 volume 0.22852E-03 ppm1 8.335 ppm2 0.641 CV 1
OR { 469}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 7 and name HN ))
ASSI { 470}
(( segid "UBI " and resid 7 and name HB ))
(( segid "UBI " and resid 7 and name HN ))
4.200 2.200 1.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.37173E-03 ppm1 8.348 ppm2 4.639 CV 1
ASSI { 472}
(( segid "UBI " and resid 36 and name HN ))
(( segid "UBI " and resid 34 and name HN ))
4.400 2.400 1.600 peak 472 spectrum 1 weight 0.10000E+01 volume 0.48372E-03 ppm1 8.630 ppm2 6.104 CV 1
ASSI { 474}
(( segid "UBI " and resid 33 and name HA ))
(( segid "UBI " and resid 34 and name HN ))
3.600 1.600 1.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.70771E-03 ppm1 8.628 ppm2 4.249 CV 1
ASSI { 475}
(( segid "UBI " and resid 31 and name HA ))
(( segid "UBI " and resid 34 and name HN ))
4.100 2.100 1.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.31692E-03 ppm1 8.631 ppm2 3.765 CV 1
ASSI { 476}
(( segid "UBI " and resid 30 and name HA ))
(( segid "UBI " and resid 34 and name HN ))
4.000 2.000 2.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.35028E-03 ppm1 8.629 ppm2 3.446 CV 1
ASSI { 477}
(( segid "UBI " and resid 34 and name HB1 ))
(( segid "UBI " and resid 34 and name HN ))
3.600 1.600 1.600 peak 477 spectrum 1 weight 0.10000E+01 volume 0.17490E-02 ppm1 8.629 ppm2 2.207 CV 1
ASSI { 478}
(( segid "UBI " and resid 33 and name HB1 ))
(( segid "UBI " and resid 34 and name HN ))
2.600 0.800 0.800 peak 478 spectrum 1 weight 0.10000E+01 volume 0.32169E-02 ppm1 8.628 ppm2 1.985 CV 1
ASSI { 479}
(( segid "UBI " and resid 33 and name HB2 ))
(( segid "UBI " and resid 34 and name HN ))
3.000 1.100 1.100 peak 479 spectrum 1 weight 0.10000E+01 volume 0.20707E-02 ppm1 8.630 ppm2 1.776 CV 1
ASSI { 482}
(( segid "UBI " and resid 39 and name HA ))
(( segid "UBI " and resid 39 and name HN ))
2.900 1.000 1.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.25497E-02 ppm1 8.416 ppm2 4.354 CV 1
ASSI { 483}
(( segid "UBI " and resid 38 and name HA ))
(( segid "UBI " and resid 39 and name HN ))
3.700 1.700 1.700 peak 483 spectrum 1 weight 0.10000E+01 volume 0.47419E-03 ppm1 8.417 ppm2 4.069 CV 1
ASSI { 484}
(( segid "UBI " and resid 38 and name HD2 ))
(( segid "UBI " and resid 39 and name HN ))
3.100 1.200 1.200 peak 484 spectrum 1 weight 0.10000E+01 volume 0.13916E-02 ppm1 8.415 ppm2 3.698 CV 1
OR { 484}
(( segid "UBI " and resid 38 and name HD1 ))
(( segid "UBI " and resid 39 and name HN ))
ASSI { 485}
(( segid "UBI " and resid 39 and name HB2 ))
(( segid "UBI " and resid 39 and name HN ))
2.500 0.800 0.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.44559E-02 ppm1 8.416 ppm2 2.630 CV 1
ASSI { 486}
(( segid "UBI " and resid 37 and name HB1 ))
(( segid "UBI " and resid 39 and name HN ))
3.600 1.700 1.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.80781E-03 ppm1 8.415 ppm2 2.373 CV 1
ASSI { 487}
(( segid "UBI " and resid 38 and name HG1 ))
(( segid "UBI " and resid 39 and name HN ))
3.700 1.700 1.700 peak 487 spectrum 1 weight 0.10000E+01 volume 0.12820E-02 ppm1 8.416 ppm2 2.160 CV 1
ASSI { 489}
(( segid "UBI " and resid 40 and name HB2 ))
(( segid "UBI " and resid 39 and name HN ))
4.500 2.500 1.500 peak 489 spectrum 1 weight 0.10000E+01 volume 0.33122E-03 ppm1 8.414 ppm2 1.774 CV 1
ASSI { 490}
(( segid "UBI " and resid 38 and name HG2 ))
(( segid "UBI " and resid 39 and name HN ))
4.200 2.200 1.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.40985E-03 ppm1 8.417 ppm2 1.590 CV 1
ASSI { 491}
(( segid "UBI " and resid 55 and name HA ))
(( segid "UBI " and resid 57 and name HN ))
4.300 2.300 1.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.42176E-03 ppm1 8.164 ppm2 5.155 CV 1
ASSI { 493}
(( segid "UBI " and resid 57 and name HA ))
(( segid "UBI " and resid 57 and name HN ))
2.700 0.900 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.28594E-02 ppm1 8.165 ppm2 4.202 CV 1
ASSI { 494}
(( segid "UBI " and resid 56 and name HA ))
(( segid "UBI " and resid 57 and name HN ))
3.100 1.200 1.200 peak 494 spectrum 1 weight 0.10000E+01 volume 0.13940E-02 ppm1 8.167 ppm2 3.978 CV 1
ASSI { 495}
(( segid "UBI " and resid 57 and name HB1 ))
(( segid "UBI " and resid 57 and name HN ))
2.400 0.700 0.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.47896E-02 ppm1 8.165 ppm2 3.827 CV 1
ASSI { 496}
(( segid "UBI " and resid 57 and name HB2 ))
(( segid "UBI " and resid 57 and name HN ))
2.600 0.800 0.800 peak 496 spectrum 1 weight 0.10000E+01 volume 0.45513E-02 ppm1 8.166 ppm2 3.735 CV 1
ASSI { 497}
(( segid "UBI " and resid 56 and name HB1 ))
(( segid "UBI " and resid 57 and name HN ))
3.200 1.200 1.200 peak 497 spectrum 1 weight 0.10000E+01 volume 0.21017E-02 ppm1 8.165 ppm2 1.998 CV 1
ASSI { 498}
(( segid "UBI " and resid 56 and name HB2 ))
(( segid "UBI " and resid 57 and name HN ))
3.200 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.10127E-02 ppm1 8.168 ppm2 1.218 CV 1
ASSI { 502}
( segid "UBI " and resid 55 and name HG2%)
(( segid "UBI " and resid 57 and name HN ))
4.500 2.500 1.500 peak 502 spectrum 1 weight 0.10000E+01 volume 0.39079E-03 ppm1 8.158 ppm2 1.098 CV 1
ASSI { 503}
(( segid "UBI " and resid 55 and name HA ))
(( segid "UBI " and resid 55 and name HN ))
3.200 1.200 1.200 peak 503 spectrum 1 weight 0.10000E+01 volume 0.10913E-02 ppm1 8.769 ppm2 5.153 CV 1
ASSI { 504}
(( segid "UBI " and resid 54 and name HA ))
(( segid "UBI " and resid 55 and name HN ))
2.600 0.800 0.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.42176E-02 ppm1 8.769 ppm2 4.656 CV 1
ASSI { 505}
(( segid "UBI " and resid 55 and name HB ))
(( segid "UBI " and resid 55 and name HN ))
4.100 2.100 1.900 peak 505 spectrum 1 weight 0.10000E+01 volume 0.36696E-03 ppm1 8.769 ppm2 4.416 CV 1
ASSI { 506}
(( segid "UBI " and resid 58 and name HB1 ))
(( segid "UBI " and resid 55 and name HN ))
3.100 1.200 1.200 peak 506 spectrum 1 weight 0.10000E+01 volume 0.23733E-02 ppm1 8.769 ppm2 2.897 CV 1
ASSI { 507}
(( segid "UBI " and resid 54 and name HB1 ))
(( segid "UBI " and resid 55 and name HN ))
2.500 0.800 0.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.33360E-02 ppm1 8.770 ppm2 2.185 CV 1
ASSI { 508}
(( segid "UBI " and resid 54 and name HB2 ))
(( segid "UBI " and resid 55 and name HN ))
3.100 1.200 1.200 peak 508 spectrum 1 weight 0.10000E+01 volume 0.43844E-02 ppm1 8.769 ppm2 2.094 CV 1
ASSI { 509}
(( segid "UBI " and resid 54 and name HG1 ))
(( segid "UBI " and resid 55 and name HN ))
4.400 2.400 1.600 peak 509 spectrum 1 weight 0.10000E+01 volume 0.69341E-03 ppm1 8.768 ppm2 1.798 CV 1
ASSI { 510}
(( segid "UBI " and resid 54 and name HG2 ))
(( segid "UBI " and resid 55 and name HN ))
4.900 3.000 1.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.30739E-03 ppm1 8.768 ppm2 1.546 CV 1
ASSI { 511}
( segid "UBI " and resid 55 and name HG2%)
(( segid "UBI " and resid 55 and name HN ))
2.700 0.900 0.900 peak 511 spectrum 1 weight 0.10000E+01 volume 0.32884E-02 ppm1 8.770 ppm2 1.092 CV 1
ASSI { 512}
(( segid "UBI " and resid 18 and name HA ))
(( segid "UBI " and resid 20 and name HN ))
4.100 2.100 1.900 peak 512 spectrum 1 weight 0.10000E+01 volume 0.45751E-03 ppm1 7.223 ppm2 4.771 CV 1
ASSI { 513}
(( segid "UBI " and resid 20 and name HA ))
(( segid "UBI " and resid 20 and name HN ))
3.000 1.100 1.100 peak 513 spectrum 1 weight 0.10000E+01 volume 0.16942E-02 ppm1 7.223 ppm2 4.350 CV 1
ASSI { 514}
(( segid "UBI " and resid 20 and name HB1 ))
(( segid "UBI " and resid 20 and name HN ))
3.200 1.300 1.300 peak 514 spectrum 1 weight 0.10000E+01 volume 0.10460E-02 ppm1 7.223 ppm2 4.094 CV 1
ASSI { 515}
(( segid "UBI " and resid 19 and name HB1 ))
(( segid "UBI " and resid 20 and name HN ))
3.100 1.200 1.200 peak 515 spectrum 1 weight 0.10000E+01 volume 0.17633E-02 ppm1 7.224 ppm2 3.866 CV 1
OR { 515}
(( segid "UBI " and resid 19 and name HB2 ))
(( segid "UBI " and resid 20 and name HN ))
ASSI { 516}
(( segid "UBI " and resid 20 and name HB2 ))
(( segid "UBI " and resid 20 and name HN ))
3.000 1.100 1.100 peak 516 spectrum 1 weight 0.10000E+01 volume 0.22018E-02 ppm1 7.223 ppm2 3.728 CV 1
ASSI { 517}
(( segid "UBI " and resid 18 and name HB1 ))
(( segid "UBI " and resid 20 and name HN ))
2.700 0.900 0.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.26926E-02 ppm1 7.222 ppm2 2.133 CV 1
ASSI { 518}
(( segid "UBI " and resid 18 and name HB2 ))
(( segid "UBI " and resid 20 and name HN ))
3.400 1.500 1.500 peak 518 spectrum 1 weight 0.10000E+01 volume 0.13558E-02 ppm1 7.222 ppm2 1.638 CV 1
ASSI { 521}
(( segid "UBI " and resid 35 and name HA1 ))
(( segid "UBI " and resid 35 and name HN ))
3.100 1.200 1.200 peak 521 spectrum 1 weight 0.10000E+01 volume 0.19658E-02 ppm1 8.406 ppm2 4.079 CV 1
ASSI { 522}
(( segid "UBI " and resid 35 and name HA2 ))
(( segid "UBI " and resid 35 and name HN ))
2.500 0.800 0.800 peak 522 spectrum 1 weight 0.10000E+01 volume 0.40032E-02 ppm1 8.407 ppm2 3.861 CV 1
ASSI { 523}
(( segid "UBI " and resid 34 and name HB1 ))
(( segid "UBI " and resid 35 and name HN ))
4.100 2.100 1.900 peak 523 spectrum 1 weight 0.10000E+01 volume 0.58856E-03 ppm1 8.405 ppm2 2.203 CV 1
ASSI { 525}
(( segid "UBI " and resid 34 and name HB2 ))
(( segid "UBI " and resid 35 and name HN ))
3.400 1.500 1.500 peak 525 spectrum 1 weight 0.10000E+01 volume 0.53376E-03 ppm1 8.405 ppm2 1.607 CV 1
ASSI { 526}
(( segid "UBI " and resid 22 and name HA ))
(( segid "UBI " and resid 22 and name HN ))
3.100 1.200 1.200 peak 526 spectrum 1 weight 0.10000E+01 volume 0.12748E-02 ppm1 7.856 ppm2 4.908 CV 1
ASSI { 527}
(( segid "UBI " and resid 21 and name HA ))
(( segid "UBI " and resid 22 and name HN ))
2.300 0.600 0.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.86494E-02 ppm1 7.855 ppm2 4.637 CV 1
ASSI { 528}
(( segid "UBI " and resid 25 and name HB1 ))
(( segid "UBI " and resid 22 and name HN ))
2.900 1.000 1.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 7.855 ppm2 3.109 CV 1
ASSI { 529}
(( segid "UBI " and resid 25 and name HB2 ))
(( segid "UBI " and resid 22 and name HN ))
3.100 1.200 1.200 peak 529 spectrum 1 weight 0.10000E+01 volume 0.21231E-02 ppm1 7.856 ppm2 2.869 CV 1
ASSI { 530}
(( segid "UBI " and resid 21 and name HB2 ))
(( segid "UBI " and resid 22 and name HN ))
3.100 1.200 1.200 peak 530 spectrum 1 weight 0.10000E+01 volume 0.20635E-02 ppm1 7.855 ppm2 2.480 CV 1
ASSI { 531}
( segid "UBI " and resid 22 and name HG2%)
(( segid "UBI " and resid 22 and name HN ))
2.600 0.800 0.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.41461E-02 ppm1 7.855 ppm2 1.214 CV 1
ASSI { 532}
( segid "UBI " and resid 55 and name HG2%)
(( segid "UBI " and resid 22 and name HN ))
3.700 1.700 1.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.67911E-03 ppm1 7.857 ppm2 1.100 CV 1
ASSI { 533}
(( segid "UBI " and resid 52 and name HA ))
(( segid "UBI " and resid 53 and name HN ))
2.900 1.000 1.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.18062E-02 ppm1 9.442 ppm2 4.246 CV 1
ASSI { 534}
(( segid "UBI " and resid 53 and name HA1 ))
(( segid "UBI " and resid 53 and name HN ))
2.700 0.900 0.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.35028E-02 ppm1 9.443 ppm2 3.972 CV 1
OR { 534}
(( segid "UBI " and resid 53 and name HA2 ))
(( segid "UBI " and resid 53 and name HN ))
ASSI { 535}
(( segid "UBI " and resid 52 and name HB1 ))
(( segid "UBI " and resid 53 and name HN ))
4.900 3.000 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.21946E-03 ppm1 9.439 ppm2 2.735 CV 1
ASSI { 537}
(( segid "UBI " and resid 9 and name HA ))
(( segid "UBI " and resid 9 and name HN ))
3.900 1.900 1.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.37173E-03 ppm1 7.496 ppm2 4.252 CV 1
ASSI { 538}
(( segid "UBI " and resid 8 and name HB2 ))
(( segid "UBI " and resid 9 and name HN ))
4.300 2.300 1.700 peak 538 spectrum 1 weight 0.10000E+01 volume 0.33599E-03 ppm1 7.498 ppm2 1.674 CV 1
ASSI { 539}
( segid "UBI " and resid 9 and name HG2%)
(( segid "UBI " and resid 9 and name HN ))
3.800 1.800 1.800 peak 539 spectrum 1 weight 0.10000E+01 volume 0.40032E-03 ppm1 7.502 ppm2 1.231 CV 1
ASSI { 540}
(( segid "UBI " and resid 47 and name HA1 ))
(( segid "UBI " and resid 47 and name HN ))
3.000 1.200 1.200 peak 540 spectrum 1 weight 0.10000E+01 volume 0.25020E-02 ppm1 8.046 ppm2 4.021 CV 1
ASSI { 541}
(( segid "UBI " and resid 46 and name HA ))
(( segid "UBI " and resid 47 and name HN ))
2.800 1.000 1.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.24782E-02 ppm1 8.045 ppm2 3.728 CV 1
ASSI { 542}
(( segid "UBI " and resid 47 and name HA2 ))
(( segid "UBI " and resid 47 and name HN ))
2.400 0.700 0.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.55044E-02 ppm1 8.045 ppm2 3.477 CV 1
ASSI { 544}
( segid "UBI " and resid 44 and name HG2%)
(( segid "UBI " and resid 47 and name HN ))
2.700 0.900 0.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.31930E-02 ppm1 8.045 ppm2 0.889 CV 1
ASSI { 545}
(( segid "UBI " and resid 66 and name HA ))
(( segid "UBI " and resid 67 and name HN ))
2.300 0.600 0.600 peak 545 spectrum 1 weight 0.10000E+01 volume 0.73153E-02 ppm1 9.255 ppm2 5.121 CV 1
ASSI { 546}
(( segid "UBI " and resid 67 and name HA ))
(( segid "UBI " and resid 67 and name HN ))
3.000 1.100 1.100 peak 546 spectrum 1 weight 0.10000E+01 volume 0.15179E-02 ppm1 9.257 ppm2 4.932 CV 1
ASSI { 547}
(( segid "UBI " and resid 5 and name HA ))
(( segid "UBI " and resid 67 and name HN ))
2.900 1.100 1.100 peak 547 spectrum 1 weight 0.10000E+01 volume 0.19182E-02 ppm1 9.257 ppm2 4.747 CV 1
ASSI { 548}
(( segid "UBI " and resid 3 and name HB ))
(( segid "UBI " and resid 67 and name HN ))
3.000 1.100 1.100 peak 548 spectrum 1 weight 0.10000E+01 volume 0.16751E-02 ppm1 9.254 ppm2 1.664 CV 1
ASSI { 549}
(( segid "UBI " and resid 67 and name HB1 ))
(( segid "UBI " and resid 67 and name HN ))
2.600 0.900 0.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.33837E-02 ppm1 9.256 ppm2 1.541 CV 1
OR { 549}
(( segid "UBI " and resid 67 and name HB2 ))
(( segid "UBI " and resid 67 and name HN ))
ASSI { 550}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 67 and name HN ))
2.900 1.100 1.100 peak 550 spectrum 1 weight 0.10000E+01 volume 0.26449E-02 ppm1 9.256 ppm2 0.748 CV 1
ASSI { 551}
( segid "UBI " and resid 67 and name HD1%)
(( segid "UBI " and resid 67 and name HN ))
2.900 1.100 1.100 peak 551 spectrum 1 weight 0.10000E+01 volume 0.22327E-02 ppm1 9.255 ppm2 0.619 CV 1
OR { 551}
( segid "UBI " and resid 67 and name HD2%)
(( segid "UBI " and resid 67 and name HN ))
ASSI { 552}
(( segid "UBI " and resid 6 and name HA ))
(( segid "UBI " and resid 6 and name HN ))
3.100 1.200 1.200 peak 552 spectrum 1 weight 0.10000E+01 volume 0.12677E-02 ppm1 8.808 ppm2 5.136 CV 1
ASSI { 553}
(( segid "UBI " and resid 7 and name HA ))
(( segid "UBI " and resid 6 and name HN ))
2.800 2.800 3.200 peak 553 spectrum 1 weight 0.10000E+01 volume 0.32407E-02 ppm1 8.805 ppm2 4.894 CV 1
ASSI { 554}
(( segid "UBI " and resid 5 and name HA ))
(( segid "UBI " and resid 6 and name HN ))
2.200 0.600 0.600 peak 554 spectrum 1 weight 0.10000E+01 volume 0.10556E-01 ppm1 8.805 ppm2 4.747 CV 1
ASSI { 555}
(( segid "UBI " and resid 6 and name HB1 ))
(( segid "UBI " and resid 6 and name HN ))
2.900 1.000 1.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.21088E-02 ppm1 8.806 ppm2 1.688 CV 1
ASSI { 557}
(( segid "UBI " and resid 6 and name HB2 ))
(( segid "UBI " and resid 6 and name HN ))
2.600 0.900 0.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.35028E-02 ppm1 8.804 ppm2 1.376 CV 1
ASSI { 558}
(( segid "UBI " and resid 6 and name HG2 ))
(( segid "UBI " and resid 6 and name HN ))
3.900 1.900 1.900 peak 558 spectrum 1 weight 0.10000E+01 volume 0.71486E-03 ppm1 8.807 ppm2 1.197 CV 1
ASSI { 559}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 6 and name HN ))
3.100 1.200 1.200 peak 559 spectrum 1 weight 0.10000E+01 volume 0.16227E-02 ppm1 8.806 ppm2 0.748 CV 1
ASSI { 560}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 6 and name HN ))
2.800 1.000 1.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.40509E-02 ppm1 8.808 ppm2 0.632 CV 1
ASSI { 561}
(( segid "UBI " and resid 6 and name HA ))
(( segid "UBI " and resid 13 and name HN ))
3.800 1.800 1.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.90550E-03 ppm1 9.472 ppm2 5.131 CV 1
ASSI { 562}
(( segid "UBI " and resid 12 and name HA ))
(( segid "UBI " and resid 13 and name HN ))
2.200 0.600 0.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.80300E-02 ppm1 9.472 ppm2 4.940 CV 1
ASSI { 563}
(( segid "UBI " and resid 13 and name HA ))
(( segid "UBI " and resid 13 and name HN ))
3.200 1.300 1.300 peak 563 spectrum 1 weight 0.10000E+01 volume 0.11104E-02 ppm1 9.469 ppm2 4.368 CV 1
ASSI { 564}
(( segid "UBI " and resid 13 and name HB ))
(( segid "UBI " and resid 13 and name HN ))
2.700 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.30024E-02 ppm1 9.472 ppm2 1.789 CV 1
ASSI { 565}
(( segid "UBI " and resid 13 and name HG11))
(( segid "UBI " and resid 13 and name HN ))
3.000 1.100 1.100 peak 565 spectrum 1 weight 0.10000E+01 volume 0.19087E-02 ppm1 9.471 ppm2 1.406 CV 1
ASSI { 566}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 13 and name HN ))
3.100 1.200 1.200 peak 566 spectrum 1 weight 0.10000E+01 volume 0.29786E-02 ppm1 9.471 ppm2 1.006 CV 1
ASSI { 567}
( segid "UBI " and resid 13 and name HG2%)
(( segid "UBI " and resid 13 and name HN ))
4.000 2.000 2.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.55521E-03 ppm1 9.471 ppm2 0.794 CV 1
ASSI { 569}
(( segid "UBI " and resid 43 and name HA ))
(( segid "UBI " and resid 70 and name HN ))
3.800 1.800 1.800 peak 569 spectrum 1 weight 0.10000E+01 volume 0.50278E-03 ppm1 9.089 ppm2 5.334 CV 1
ASSI { 570}
(( segid "UBI " and resid 68 and name HA ))
(( segid "UBI " and resid 70 and name HN ))
2.700 2.700 3.300 peak 570 spectrum 1 weight 0.10000E+01 volume 0.72439E-02 ppm1 9.095 ppm2 4.958 CV 1
ASSI { 571}
(( segid "UBI " and resid 70 and name HA ))
(( segid "UBI " and resid 70 and name HN ))
3.100 1.200 1.200 peak 571 spectrum 1 weight 0.10000E+01 volume 0.11295E-02 ppm1 9.096 ppm2 4.173 CV 1
ASSI { 572}
(( segid "UBI " and resid 70 and name HB ))
(( segid "UBI " and resid 70 and name HN ))
2.700 0.900 0.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.31216E-02 ppm1 9.096 ppm2 1.785 CV 1
ASSI { 573}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 70 and name HN ))
2.800 1.000 1.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.30501E-02 ppm1 9.096 ppm2 0.763 CV 1
ASSI { 574}
( segid "UBI " and resid 70 and name HG2%)
(( segid "UBI " and resid 70 and name HN ))
3.000 1.100 1.100 peak 574 spectrum 1 weight 0.10000E+01 volume 0.20588E-02 ppm1 9.095 ppm2 0.506 CV 1
ASSI { 576}
(( segid "UBI " and resid 69 and name HG ))
(( segid "UBI " and resid 70 and name HN ))
4.200 2.200 1.800 peak 576 spectrum 1 weight 0.10000E+01 volume 0.27879E-03 ppm1 9.093 ppm2 1.284 CV 1
ASSI { 577}
(( segid "UBI " and resid 45 and name HA ))
(( segid "UBI " and resid 46 and name HN ))
2.800 1.000 1.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.21970E-02 ppm1 8.887 ppm2 5.063 CV 1
ASSI { 578}
(( segid "UBI " and resid 46 and name HA ))
(( segid "UBI " and resid 46 and name HN ))
2.800 1.000 1.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.23114E-02 ppm1 8.886 ppm2 3.730 CV 1
ASSI { 579}
( segid "UBI " and resid 46 and name HB% )
(( segid "UBI " and resid 46 and name HN ))
3.600 1.600 1.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.77206E-03 ppm1 8.888 ppm2 0.839 CV 1
ASSI { 584}
(( segid "UBI " and resid 72 and name HD2 ))
(( segid "UBI " and resid 73 and name HN ))
4.200 2.200 1.800 peak 584 spectrum 1 weight 0.10000E+01 volume 0.35266E-03 ppm1 8.258 ppm2 3.130 CV 1
OR { 584}
(( segid "UBI " and resid 72 and name HD1 ))
(( segid "UBI " and resid 73 and name HN ))
ASSI { 588}
(( segid "UBI " and resid 65 and name HB2 ))
(( segid "UBI " and resid 62 and name HN ))
3.700 1.700 1.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.54329E-03 ppm1 7.494 ppm2 3.546 CV 1
ASSI { 589}
(( segid "UBI " and resid 65 and name HB1 ))
(( segid "UBI " and resid 62 and name HN ))
4.200 2.200 1.800 peak 589 spectrum 1 weight 0.10000E+01 volume 0.26926E-03 ppm1 7.491 ppm2 3.799 CV 1
ASSI { 592}
(( segid "UBI " and resid 69 and name HG ))
(( segid "UBI " and resid 69 and name HN ))
4.700 2.700 1.300 peak 592 spectrum 1 weight 0.10000E+01 volume 0.27164E-03 ppm1 8.341 ppm2 1.275 CV 1
ASSI { 597}
(( segid "UBI " and resid 56 and name HB1 ))
(( segid "UBI " and resid 21 and name HN ))
4.600 2.600 1.400 peak 597 spectrum 1 weight 0.10000E+01 volume 0.39794E-03 ppm1 7.747 ppm2 1.982 CV 1
ASSI { 598}
(( segid "UBI " and resid 20 and name HB2 ))
(( segid "UBI " and resid 21 and name HN ))
4.500 2.600 1.500 peak 598 spectrum 1 weight 0.10000E+01 volume 0.22280E-03 ppm1 7.741 ppm2 3.730 CV 1
ASSI { 599}
(( segid "UBI " and resid 20 and name HB1 ))
(( segid "UBI " and resid 21 and name HN ))
4.500 2.500 1.500 peak 599 spectrum 1 weight 0.10000E+01 volume 0.27641E-03 ppm1 7.744 ppm2 4.100 CV 1
ASSI { 601}
(( segid "UBI " and resid 1 and name HG1 ))
(( segid "UBI " and resid 2 and name HN ))
4.700 2.800 1.300 peak 601 spectrum 1 weight 0.10000E+01 volume 0.16990E-03 ppm1 8.745 ppm2 2.433 CV 1
ASSI { 602}
(( segid "UBI " and resid 63 and name HA ))
(( segid "UBI " and resid 2 and name HN ))
5.000 3.100 1.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.13106E-03 ppm1 8.745 ppm2 3.914 CV 1
ASSI { 605}
(( segid "UBI " and resid 13 and name HG11))
(( segid "UBI " and resid 14 and name HN ))
4.700 2.800 1.300 peak 605 spectrum 1 weight 0.10000E+01 volume 0.29547E-03 ppm1 8.567 ppm2 1.386 CV 1
ASSI { 608}
(( segid "UBI " and resid 27 and name HB1 ))
(( segid "UBI " and resid 26 and name HN ))
4.700 2.800 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.31454E-03 ppm1 7.979 ppm2 2.040 CV 1
ASSI { 610}
(( segid "UBI " and resid 13 and name HN ))
(( segid "UBI " and resid 5 and name HN ))
3.000 1.200 1.200 peak 610 spectrum 1 weight 0.10000E+01 volume 0.14178E-02 ppm1 9.166 ppm2 9.467 CV 1
ASSI { 611}
(( segid "UBI " and resid 9 and name HN ))
(( segid "UBI " and resid 8 and name HN ))
4.200 2.200 1.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.20326E-03 ppm1 8.808 ppm2 7.494 CV 1
ASSI { 613}
(( segid "UBI " and resid 52 and name HA ))
(( segid "UBI " and resid 23 and name HN ))
4.600 2.700 1.400 peak 613 spectrum 1 weight 0.10000E+01 volume 0.22208E-03 ppm1 8.650 ppm2 4.245 CV 1
ASSI { 615}
(( segid "UBI " and resid 54 and name HN ))
(( segid "UBI " and resid 23 and name HN ))
4.000 2.000 2.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.34551E-03 ppm1 8.651 ppm2 7.336 CV 1
ASSI { 618}
(( segid "UBI " and resid 45 and name HA ))
(( segid "UBI " and resid 47 and name HN ))
4.700 2.700 1.300 peak 618 spectrum 1 weight 0.10000E+01 volume 0.17514E-03 ppm1 8.043 ppm2 5.058 CV 1
ASSI { 620}
(( segid "UBI " and resid 44 and name HA ))
(( segid "UBI " and resid 48 and name HN ))
4.700 2.800 1.300 peak 620 spectrum 1 weight 0.10000E+01 volume 0.23781E-03 ppm1 7.869 ppm2 5.027 CV 1
ASSI { 623}
(( segid "UBI " and resid 29 and name HN ))
(( segid "UBI " and resid 30 and name HN ))
2.500 0.800 0.800 peak 623 spectrum 1 weight 0.10000E+01 volume 0.39794E-02 ppm1 8.182 ppm2 7.880 CV 1
ASSI { 625}
(( segid "UBI " and resid 41 and name HE21))
(( segid "UBI " and resid 30 and name HN ))
5.100 3.200 0.900 peak 625 spectrum 1 weight 0.10000E+01 volume 0.22613E-03 ppm1 8.186 ppm2 6.395 CV 1
ASSI { 628}
(( segid "UBI " and resid 53 and name HN ))
(( segid "UBI " and resid 52 and name HN ))
3.900 1.900 1.900 peak 628 spectrum 1 weight 0.10000E+01 volume 0.77443E-03 ppm1 7.954 ppm2 9.446 CV 1
ASSI { 632}
(( segid "UBI " and resid 43 and name HB2 ))
(( segid "UBI " and resid 50 and name HN ))
4.000 2.000 2.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.41224E-03 ppm1 8.502 ppm2 1.126 CV 1
ASSI { 634}
( segid "UBI " and resid 44 and name HD1%)
(( segid "UBI " and resid 45 and name HN ))
4.100 2.100 1.900 peak 634 spectrum 1 weight 0.10000E+01 volume 0.90313E-03 ppm1 8.858 ppm2 0.793 CV 1
ASSI { 636}
(( segid "UBI " and resid 47 and name HN ))
(( segid "UBI " and resid 45 and name HN ))
3.800 1.800 1.800 peak 636 spectrum 1 weight 0.10000E+01 volume 0.43844E-03 ppm1 8.859 ppm2 8.046 CV 1
ASSI { 637}
( segid "UBI " and resid 73 and name HD2%)
(( segid "UBI " and resid 73 and name HN ))
4.200 2.200 1.800 peak 637 spectrum 1 weight 0.10000E+01 volume 0.30739E-03 ppm1 8.257 ppm2 0.682 CV 1
ASSI { 638}
(( segid "UBI " and resid 3 and name HG12))
(( segid "UBI " and resid 15 and name HN ))
4.400 2.400 1.600 peak 638 spectrum 1 weight 0.10000E+01 volume 0.28594E-03 ppm1 8.630 ppm2 0.780 CV 1
ASSI { 639}
( segid "UBI " and resid 55 and name HG2%)
(( segid "UBI " and resid 58 and name HN ))
4.700 2.700 1.300 peak 639 spectrum 1 weight 0.10000E+01 volume 0.22399E-03 ppm1 7.798 ppm2 1.097 CV 1
ASSI { 640}
(( segid "UBI " and resid 56 and name HA ))
(( segid "UBI " and resid 58 and name HN ))
3.900 1.900 1.900 peak 640 spectrum 1 weight 0.10000E+01 volume 0.38602E-03 ppm1 7.796 ppm2 3.986 CV 1
ASSI { 641}
(( segid "UBI " and resid 48 and name HA ))
(( segid "UBI " and resid 49 and name HN ))
2.200 0.600 0.600 peak 641 spectrum 1 weight 0.10000E+01 volume 0.85547E-02 ppm1 8.779 ppm2 4.561 CV 1
ASSI { 642}
( segid "UBI " and resid 70 and name HG1%)
(( segid "UBI " and resid 42 and name HN ))
4.100 2.100 1.900 peak 642 spectrum 1 weight 0.10000E+01 volume 0.43606E-03 ppm1 8.541 ppm2 0.512 CV 1
OR { 642}
( segid "UBI " and resid 70 and name HG2%)
(( segid "UBI " and resid 42 and name HN ))
ASSI { 643}
(( segid "UBI " and resid 25 and name HA ))
(( segid "UBI " and resid 29 and name HN ))
4.400 2.400 1.600 peak 643 spectrum 1 weight 0.10000E+01 volume 0.20731E-03 ppm1 7.888 ppm2 4.429 CV 1
ASSI { 645}
( segid "UBI " and resid 67 and name HD2%)
(( segid "UBI " and resid 44 and name HN ))
3.400 1.500 1.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.49563E-03 ppm1 9.092 ppm2 0.607 CV 1
OR { 645}
( segid "UBI " and resid 67 and name HD1%)
(( segid "UBI " and resid 44 and name HN ))
ASSI { 646}
( segid "UBI " and resid 44 and name HG2%)
(( segid "UBI " and resid 44 and name HN ))
4.200 2.200 1.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.50755E-03 ppm1 9.097 ppm2 0.873 CV 1
ASSI { 649}
( segid "UBI " and resid 70 and name HG1%)
(( segid "UBI " and resid 72 and name HN ))
4.200 2.200 1.800 peak 649 spectrum 1 weight 0.10000E+01 volume 0.28832E-03 ppm1 8.389 ppm2 0.538 CV 1
ASSI { 652}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 41 and name HE21))
4.200 2.200 1.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.59571E-03 ppm1 6.393 ppm2 0.641 CV 1
ASSI { 653}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 41 and name HE22))
3.800 1.800 1.800 peak 653 spectrum 1 weight 0.10000E+01 volume 0.45989E-03 ppm1 6.119 ppm2 0.644 CV 1
ASSI { 654}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 41 and name HE22))
4.100 2.100 1.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.55521E-03 ppm1 6.123 ppm2 0.886 CV 1
ASSI { 655}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 41 and name HE21))
4.800 2.900 1.200 peak 655 spectrum 1 weight 0.10000E+01 volume 0.13916E-03 ppm1 6.388 ppm2 0.882 CV 1
ASSI { 659}
(( segid "UBI " and resid 41 and name HG2 ))
(( segid "UBI " and resid 41 and name HE22))
3.800 1.800 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.93407E-03 ppm1 6.120 ppm2 1.597 CV 1
ASSI { 660}
(( segid "UBI " and resid 41 and name HG2 ))
(( segid "UBI " and resid 41 and name HE21))
3.800 1.800 1.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.62908E-03 ppm1 6.390 ppm2 1.601 CV 1
ASSI { 663}
(( segid "UBI " and resid 30 and name HB ))
(( segid "UBI " and resid 41 and name HE22))
3.400 1.500 1.500 peak 663 spectrum 1 weight 0.10000E+01 volume 0.59095E-03 ppm1 6.125 ppm2 2.257 CV 1
ASSI { 665}
(( segid "UBI " and resid 41 and name HG1 ))
(( segid "UBI " and resid 41 and name HE21))
3.200 1.300 1.300 peak 665 spectrum 1 weight 0.10000E+01 volume 0.65052E-03 ppm1 6.397 ppm2 2.509 CV 1
ASSI { 667}
(( segid "UBI " and resid 38 and name HA ))
(( segid "UBI " and resid 41 and name HE22))
3.900 1.900 1.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.85303E-03 ppm1 6.121 ppm2 4.059 CV 1
ASSI { 668}
(( segid "UBI " and resid 38 and name HA ))
(( segid "UBI " and resid 41 and name HE21))
3.900 1.900 1.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.25973E-03 ppm1 6.388 ppm2 4.060 CV 1
ASSI { 670}
(( segid "UBI " and resid 31 and name HN ))
(( segid "UBI " and resid 41 and name HE22))
4.100 2.100 1.900 peak 670 spectrum 1 weight 0.10000E+01 volume 0.24067E-03 ppm1 6.123 ppm2 8.430 CV 1
ASSI { 671}
(( segid "UBI " and resid 11 and name HG2 ))
(( segid "UBI " and resid 11 and name HN ))
3.800 1.800 1.800 peak 671 spectrum 1 weight 0.10000E+01 volume 0.53853E-03 ppm1 7.067 ppm2 1.175 CV 1
ASSI { 672}
( segid "UBI " and resid 50 and name HD2%)
(( segid "UBI " and resid 48 and name HN ))
3.600 1.700 1.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.32884E-03 ppm1 7.874 ppm2 -0.173 CV 1
ASSI { 675}
(( segid "UBI " and resid 35 and name HN ))
(( segid "UBI " and resid 36 and name HN ))
2.600 0.800 0.800 peak 675 spectrum 1 weight 0.10000E+01 volume 0.31454E-02 ppm1 6.105 ppm2 8.410 CV 1
ASSI { 677}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 25 and name HN ))
5.300 3.500 0.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.18634E-03 ppm1 7.900 ppm2 0.914 CV 1
ASSI { 678}
(( segid "UBI " and resid 21 and name HB2 ))
(( segid "UBI " and resid 18 and name HN ))
3.900 1.900 1.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.26926E-03 ppm1 8.586 ppm2 2.470 CV 1
ASSI { 679}
(( segid "UBI " and resid 53 and name HN ))
(( segid "UBI " and resid 54 and name HN ))
2.900 1.000 1.000 peak 679 spectrum 1 weight 0.10000E+01 volume 0.20683E-02 ppm1 7.341 ppm2 9.444 CV 1
ASSI { 683}
(( segid "UBI " and resid 34 and name HN ))
(( segid "UBI " and resid 33 and name HN ))
2.500 0.800 0.800 peak 683 spectrum 1 weight 0.10000E+01 volume 0.47419E-02 ppm1 7.413 ppm2 8.625 CV 1
ASSI { 686}
(( segid "UBI " and resid 64 and name HN ))
(( segid "UBI " and resid 65 and name HN ))
2.800 1.000 1.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.25259E-02 ppm1 7.518 ppm2 9.133 CV 1
ASSI { 689}
(( segid "UBI " and resid 36 and name HG11))
(( segid "UBI " and resid 34 and name HN ))
4.300 2.300 1.700 peak 689 spectrum 1 weight 0.10000E+01 volume 0.39079E-03 ppm1 8.628 ppm2 1.388 CV 1
OR { 689}
(( segid "UBI " and resid 36 and name HB ))
(( segid "UBI " and resid 34 and name HN ))
ASSI { 691}
(( segid "UBI " and resid 49 and name HG2 ))
(( segid "UBI " and resid 49 and name HE21))
3.400 1.500 1.500 peak 691 spectrum 1 weight 0.10000E+01 volume 0.71724E-03 ppm1 7.514 ppm2 2.174 CV 1
ASSI { 692}
(( segid "UBI " and resid 49 and name HG2 ))
(( segid "UBI " and resid 49 and name HE22))
4.500 2.600 1.500 peak 692 spectrum 1 weight 0.10000E+01 volume 0.34313E-03 ppm1 7.074 ppm2 2.176 CV 1
ASSI { 693}
(( segid "UBI " and resid 49 and name HB1 ))
(( segid "UBI " and resid 49 and name HE21))
4.000 2.000 2.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.34313E-03 ppm1 7.513 ppm2 1.991 CV 1
OR { 693}
(( segid "UBI " and resid 49 and name HB2 ))
(( segid "UBI " and resid 49 and name HE21))
ASSI { 694}
(( segid "UBI " and resid 49 and name HG1 ))
(( segid "UBI " and resid 49 and name HE21))
3.300 1.300 1.300 peak 694 spectrum 1 weight 0.10000E+01 volume 0.86739E-03 ppm1 7.513 ppm2 2.256 CV 1
ASSI { 697}
( segid "UBI " and resid 36 and name HD1%)
(( segid "UBI " and resid 40 and name HE21))
5.100 3.300 0.900 peak 697 spectrum 1 weight 0.10000E+01 volume 0.18491E-03 ppm1 7.521 ppm2 0.744 CV 1
ASSI { 698}
(( segid "UBI " and resid 36 and name HG12))
(( segid "UBI " and resid 40 and name HE21))
4.800 2.900 1.200 peak 698 spectrum 1 weight 0.10000E+01 volume 0.20278E-03 ppm1 7.524 ppm2 1.075 CV 1
ASSI { 699}
(( segid "UBI " and resid 71 and name HB2 ))
(( segid "UBI " and resid 40 and name HE21))
4.900 3.000 1.100 peak 699 spectrum 1 weight 0.10000E+01 volume 0.18277E-03 ppm1 7.517 ppm2 1.509 CV 1
ASSI { 700}
(( segid "UBI " and resid 41 and name HB2 ))
(( segid "UBI " and resid 40 and name HE21))
4.200 2.200 1.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.48372E-03 ppm1 7.520 ppm2 1.874 CV 1
ASSI { 701}
(( segid "UBI " and resid 2 and name HG2 ))
(( segid "UBI " and resid 2 and name HE22))
4.800 2.800 1.200 peak 701 spectrum 1 weight 0.10000E+01 volume 0.24782E-03 ppm1 6.615 ppm2 1.875 CV 1
ASSI { 702}
(( segid "UBI " and resid 40 and name HG2 ))
(( segid "UBI " and resid 40 and name HE21))
3.300 1.300 1.300 peak 702 spectrum 1 weight 0.10000E+01 volume 0.86975E-03 ppm1 7.500 ppm2 2.358 CV 1
OR { 702}
(( segid "UBI " and resid 40 and name HG1 ))
(( segid "UBI " and resid 40 and name HE21))
ASSI { 703}
(( segid "UBI " and resid 40 and name HG2 ))
(( segid "UBI " and resid 40 and name HE22))
3.900 1.900 1.900 peak 703 spectrum 1 weight 0.10000E+01 volume 0.76488E-03 ppm1 6.599 ppm2 2.356 CV 1
OR { 703}
(( segid "UBI " and resid 40 and name HG1 ))
(( segid "UBI " and resid 40 and name HE22))
ASSI { 704}
(( segid "UBI " and resid 60 and name HB1 ))
(( segid "UBI " and resid 60 and name HD21))
3.900 1.900 1.900 peak 704 spectrum 1 weight 0.10000E+01 volume 0.30501E-03 ppm1 7.408 ppm2 3.236 CV 1
ASSI { 705}
(( segid "UBI " and resid 60 and name HB1 ))
(( segid "UBI " and resid 60 and name HD22))
4.800 2.800 1.200 peak 705 spectrum 1 weight 0.10000E+01 volume 0.29071E-03 ppm1 6.694 ppm2 3.222 CV 1
ASSI { 706}
(( segid "UBI " and resid 31 and name HG2 ))
(( segid "UBI " and resid 31 and name HE21))
3.200 1.200 1.200 peak 706 spectrum 1 weight 0.10000E+01 volume 0.11890E-02 ppm1 7.516 ppm2 1.889 CV 1
ASSI { 707}
(( segid "UBI " and resid 31 and name HG1 ))
(( segid "UBI " and resid 31 and name HE21))
3.600 1.600 1.600 peak 707 spectrum 1 weight 0.10000E+01 volume 0.48611E-03 ppm1 7.514 ppm2 2.232 CV 1
ASSI { 708}
(( segid "UBI " and resid 31 and name HG2 ))
(( segid "UBI " and resid 31 and name HE22))
4.200 2.200 1.800 peak 708 spectrum 1 weight 0.10000E+01 volume 0.53376E-03 ppm1 6.696 ppm2 1.893 CV 1
ASSI { 709}
(( segid "UBI " and resid 38 and name HD1 ))
(( segid "UBI " and resid 31 and name HE21))
4.200 2.200 1.800 peak 709 spectrum 1 weight 0.10000E+01 volume 0.29547E-03 ppm1 7.519 ppm2 3.700 CV 1
OR { 709}
(( segid "UBI " and resid 38 and name HD2 ))
(( segid "UBI " and resid 31 and name HE21))
ASSI { 710}
(( segid "UBI " and resid 38 and name HD1 ))
(( segid "UBI " and resid 31 and name HE22))
3.800 1.800 1.800 peak 710 spectrum 1 weight 0.10000E+01 volume 0.37411E-03 ppm1 6.696 ppm2 3.704 CV 1
OR { 710}
(( segid "UBI " and resid 38 and name HD2 ))
(( segid "UBI " and resid 31 and name HE22))
ASSI { 713}
(( segid "UBI " and resid 29 and name HE1 ))
(( segid "UBI " and resid 25 and name HD21))
5.400 3.600 0.600 peak 713 spectrum 1 weight 0.10000E+01 volume 0.13368E-03 ppm1 7.741 ppm2 3.094 CV 1
ASSI { 714}
(( segid "UBI " and resid 29 and name HE1 ))
(( segid "UBI " and resid 25 and name HD22))
4.400 2.500 1.600 peak 714 spectrum 1 weight 0.10000E+01 volume 0.20302E-03 ppm1 6.780 ppm2 3.086 CV 1
ASSI { 715}
(( segid "UBI " and resid 25 and name HA ))
(( segid "UBI " and resid 25 and name HD21))
4.700 2.800 1.300 peak 715 spectrum 1 weight 0.10000E+01 volume 0.14059E-03 ppm1 7.750 ppm2 4.420 CV 1
ASSI { 716}
(( segid "UBI " and resid 25 and name HA ))
(( segid "UBI " and resid 25 and name HD22))
4.400 2.400 1.600 peak 716 spectrum 1 weight 0.10000E+01 volume 0.31454E-03 ppm1 6.779 ppm2 4.427 CV 1
ASSI { 717}
(( segid "UBI " and resid 10 and name HA2 ))
(( segid "UBI " and resid 10 and name HN ))
2.400 0.700 0.700 peak 717 spectrum 1 weight 0.10000E+01 volume 0.50516E-02 ppm1 7.866 ppm2 3.544 CV 1
ASSI { 720}
(( segid "UBI " and resid 11 and name HB2 ))
(( segid "UBI " and resid 10 and name HN ))
5.000 3.100 1.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.19968E-03 ppm1 7.865 ppm2 1.673 CV 1
ASSI { 721}
(( segid "UBI " and resid 11 and name HN ))
(( segid "UBI " and resid 10 and name HN ))
2.600 0.800 0.800 peak 721 spectrum 1 weight 0.10000E+01 volume 0.28356E-02 ppm1 7.866 ppm2 7.064 CV 1
ASSI { 722}
(( segid "UBI " and resid 9 and name HN ))
(( segid "UBI " and resid 10 and name HN ))
2.900 1.000 1.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.18110E-02 ppm1 7.867 ppm2 7.498 CV 1
ASSI { 725}
(( segid "UBI " and resid 27 and name HA ))
(( segid "UBI " and resid 28 and name HN ))
3.300 1.400 1.400 peak 725 spectrum 1 weight 0.10000E+01 volume 0.97699E-03 ppm1 8.057 ppm2 4.538 CV 1
ASSI { 727}
(( segid "UBI " and resid 23 and name HN ))
(( segid "UBI " and resid 24 and name HN ))
3.000 1.100 1.100 peak 727 spectrum 1 weight 0.10000E+01 volume 0.14035E-02 ppm1 9.414 ppm2 8.647 CV 1
ASSI { 728}
(( segid "UBI " and resid 24 and name HN ))
(( segid "UBI " and resid 25 and name HN ))
2.800 1.000 1.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.20850E-02 ppm1 7.900 ppm2 9.415 CV 1
ASSI { 729}
(( segid "UBI " and resid 33 and name HN ))
(( segid "UBI " and resid 32 and name HN ))
2.600 0.800 0.800 peak 729 spectrum 1 weight 0.10000E+01 volume 0.36934E-02 ppm1 7.983 ppm2 7.410 CV 1
ASSI { 731}
(( segid "UBI " and resid 19 and name HN ))
(( segid "UBI " and resid 20 and name HN ))
3.500 1.600 1.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.56474E-03 ppm1 7.222 ppm2 9.096 CV 1
ASSI { 733}
(( segid "UBI " and resid 40 and name HN ))
(( segid "UBI " and resid 39 and name HN ))
2.600 0.900 0.900 peak 733 spectrum 1 weight 0.10000E+01 volume 0.32169E-02 ppm1 8.416 ppm2 7.745 CV 1
ASSI { 734}
(( segid "UBI " and resid 58 and name HN ))
(( segid "UBI " and resid 57 and name HN ))
2.600 0.900 0.900 peak 734 spectrum 1 weight 0.10000E+01 volume 0.30024E-02 ppm1 8.165 ppm2 7.792 CV 1
ASSI { 735}
(( segid "UBI " and resid 35 and name HN ))
(( segid "UBI " and resid 34 and name HN ))
2.400 0.700 0.700 peak 735 spectrum 1 weight 0.10000E+01 volume 0.54806E-02 ppm1 8.629 ppm2 8.408 CV 1
ASSI { 736}
(( segid "UBI " and resid 59 and name HN ))
(( segid "UBI " and resid 60 and name HN ))
2.300 0.600 0.600 peak 736 spectrum 1 weight 0.10000E+01 volume 0.79353E-02 ppm1 8.049 ppm2 7.156 CV 1
ASSI { 738}
(( segid "UBI " and resid 41 and name HN ))
(( segid "UBI " and resid 40 and name HN ))
2.300 0.600 0.600 peak 738 spectrum 1 weight 0.10000E+01 volume 0.72677E-02 ppm1 7.743 ppm2 7.376 CV 1
ASSI { 739}
(( segid "UBI " and resid 27 and name HN ))
(( segid "UBI " and resid 28 and name HN ))
3.000 1.100 1.100 peak 739 spectrum 1 weight 0.10000E+01 volume 0.14178E-02 ppm1 8.059 ppm2 8.504 CV 1
ASSI { 740}
(( segid "UBI " and resid 29 and name HN ))
(( segid "UBI " and resid 28 and name HN ))
2.400 0.700 0.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.63384E-02 ppm1 8.056 ppm2 7.892 CV 1
ASSI { 741}
(( segid "UBI " and resid 26 and name HN ))
(( segid "UBI " and resid 27 and name HN ))
2.300 0.700 0.700 peak 741 spectrum 1 weight 0.10000E+01 volume 0.58618E-02 ppm1 8.500 ppm2 8.002 CV 1
ASSI { 2}
(( segid "UBI " and resid 15 and name HB1 ))
(( segid "UBI " and resid 15 and name HB2 ))
1.800 0.400 0.400 peak 2 spectrum 1 weight 0.10000E+01 volume 0.16907E-01 ppm1 1.171 ppm2 1.331 CV 1
ASSI { 8}
(( segid "UBI " and resid 35 and name HA1 ))
(( segid "UBI " and resid 35 and name HA2 ))
1.800 0.400 0.400 peak 8 spectrum 1 weight 0.10000E+01 volume 0.24916E-01 ppm1 3.887 ppm2 4.094 CV 1
ASSI { 9}
(( segid "UBI " and resid 47 and name HA2 ))
(( segid "UBI " and resid 47 and name HA1 ))
1.800 0.400 0.400 peak 9 spectrum 1 weight 0.10000E+01 volume 0.20252E-01 ppm1 4.047 ppm2 3.470 CV 1
ASSI { 13}
( segid "UBI " and resid 44 and name HG2%)
(( segid "UBI " and resid 47 and name HA2 ))
3.000 1.100 1.100 peak 13 spectrum 1 weight 0.10000E+01 volume 0.16570E-02 ppm1 3.467 ppm2 0.837 CV 1
ASSI { 14}
(( segid "UBI " and resid 43 and name HA ))
(( segid "UBI " and resid 43 and name HB2 ))
2.900 1.100 1.100 peak 14 spectrum 1 weight 0.10000E+01 volume 0.21694E-02 ppm1 1.134 ppm2 5.348 CV 1
ASSI { 15}
(( segid "UBI " and resid 43 and name HA ))
(( segid "UBI " and resid 43 and name HB1 ))
2.900 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.13501E-02 ppm1 1.560 ppm2 5.347 CV 1
ASSI { 16}
(( segid "UBI " and resid 43 and name HB1 ))
(( segid "UBI " and resid 43 and name HB2 ))
1.800 0.400 0.400 peak 16 spectrum 1 weight 0.10000E+01 volume 0.15281E-01 ppm1 1.135 ppm2 1.557 CV 1
ASSI { 19}
( segid "UBI " and resid 43 and name HD2%)
(( segid "UBI " and resid 43 and name HB2 ))
2.600 0.900 0.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.33140E-02 ppm1 1.134 ppm2 0.740 CV 1
OR { 19}
( segid "UBI " and resid 43 and name HD1%)
(( segid "UBI " and resid 43 and name HB2 ))
ASSI { 20}
( segid "UBI " and resid 43 and name HD1%)
(( segid "UBI " and resid 43 and name HB1 ))
2.600 0.800 0.800 peak 20 spectrum 1 weight 0.10000E+01 volume 0.36822E-02 ppm1 1.559 ppm2 0.736 CV 1
OR { 20}
( segid "UBI " and resid 43 and name HD2%)
(( segid "UBI " and resid 43 and name HB1 ))
ASSI { 22}
(( segid "UBI " and resid 10 and name HA1 ))
(( segid "UBI " and resid 10 and name HA2 ))
1.700 0.400 0.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.29703E-01 ppm1 3.570 ppm2 4.310 CV 1
ASSI { 27}
(( segid "UBI " and resid 42 and name HB1 ))
(( segid "UBI " and resid 42 and name HD2 ))
2.800 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.24763E-02 ppm1 3.060 ppm2 1.731 CV 1
OR { 27}
(( segid "UBI " and resid 42 and name HB2 ))
(( segid "UBI " and resid 42 and name HD2 ))
ASSI { 28}
(( segid "UBI " and resid 42 and name HG2 ))
(( segid "UBI " and resid 42 and name HD2 ))
2.400 0.700 0.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.60449E-02 ppm1 3.063 ppm2 1.518 CV 1
ASSI { 29}
(( segid "UBI " and resid 74 and name HB1 ))
(( segid "UBI " and resid 74 and name HD1 ))
2.900 1.100 1.100 peak 29 spectrum 1 weight 0.10000E+01 volume 0.19362E-02 ppm1 3.147 ppm2 1.842 CV 1
OR { 29}
(( segid "UBI " and resid 74 and name HB1 ))
(( segid "UBI " and resid 74 and name HD2 ))
ASSI { 31}
(( segid "UBI " and resid 69 and name HB2 ))
(( segid "UBI " and resid 69 and name HB1 ))
1.700 0.400 0.500 peak 31 spectrum 1 weight 0.10000E+01 volume 0.19086E-01 ppm1 1.608 ppm2 1.023 CV 1
ASSI { 32}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 69 and name HB1 ))
3.100 1.200 1.200 peak 32 spectrum 1 weight 0.10000E+01 volume 0.20712E-02 ppm1 1.607 ppm2 0.799 CV 1
ASSI { 33}
( segid "UBI " and resid 69 and name HD2%)
(( segid "UBI " and resid 69 and name HB1 ))
2.200 0.600 0.600 peak 33 spectrum 1 weight 0.10000E+01 volume 0.10341E-01 ppm1 1.607 ppm2 0.677 CV 1
ASSI { 35}
(( segid "UBI " and resid 45 and name HB2 ))
(( segid "UBI " and resid 45 and name HB1 ))
1.800 0.400 0.400 peak 35 spectrum 1 weight 0.10000E+01 volume 0.19669E-01 ppm1 2.989 ppm2 2.781 CV 1
ASSI { 36}
(( segid "UBI " and resid 45 and name HA ))
(( segid "UBI " and resid 45 and name HB2 ))
2.900 1.100 1.100 peak 36 spectrum 1 weight 0.10000E+01 volume 0.14422E-02 ppm1 2.785 ppm2 5.083 CV 1
ASSI { 38}
(( segid "UBI " and resid 67 and name HG ))
(( segid "UBI " and resid 45 and name HB1 ))
3.700 1.700 1.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.14575E-02 ppm1 2.988 ppm2 1.709 CV 1
ASSI { 39}
( segid "UBI " and resid 67 and name HD2%)
(( segid "UBI " and resid 45 and name HB1 ))
3.300 1.400 1.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.17859E-02 ppm1 2.989 ppm2 0.606 CV 1
OR { 39}
( segid "UBI " and resid 67 and name HD1%)
(( segid "UBI " and resid 45 and name HB1 ))
ASSI { 40}
( segid "UBI " and resid 50 and name HD1%)
(( segid "UBI " and resid 45 and name HB1 ))
3.000 1.100 1.100 peak 40 spectrum 1 weight 0.10000E+01 volume 0.15311E-02 ppm1 2.989 ppm2 0.490 CV 1
ASSI { 41}
( segid "UBI " and resid 61 and name HD1%)
(( segid "UBI " and resid 45 and name HB1 ))
3.300 1.400 1.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.86532E-03 ppm1 2.985 ppm2 0.355 CV 1
ASSI { 42}
( segid "UBI " and resid 50 and name HD2%)
(( segid "UBI " and resid 45 and name HB1 ))
3.100 1.200 1.200 peak 42 spectrum 1 weight 0.10000E+01 volume 0.11568E-02 ppm1 2.987 ppm2 -0.164 CV 1
ASSI { 46}
( segid "UBI " and resid 45 and name HD% )
(( segid "UBI " and resid 45 and name HB1 ))
2.800 1.000 1.000 peak 46 spectrum 1 weight 0.10000E+01 volume 0.18963E-02 ppm1 2.989 ppm2 -0.682 CV 1
ASSI { 47}
( segid "UBI " and resid 45 and name HD% )
(( segid "UBI " and resid 45 and name HB2 ))
2.800 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.25254E-02 ppm1 2.787 ppm2 -0.683 CV 1
ASSI { 51}
(( segid "UBI " and resid 72 and name HA ))
(( segid "UBI " and resid 72 and name HD2 ))
3.400 1.400 1.400 peak 51 spectrum 1 weight 0.10000E+01 volume 0.10985E-02 ppm1 3.134 ppm2 4.206 CV 1
OR { 51}
(( segid "UBI " and resid 72 and name HA ))
(( segid "UBI " and resid 72 and name HD1 ))
ASSI { 54}
(( segid "UBI " and resid 27 and name HD2 ))
(( segid "UBI " and resid 27 and name HE1 ))
2.300 0.700 0.700 peak 54 spectrum 1 weight 0.10000E+01 volume 0.67200E-02 ppm1 2.634 ppm2 1.693 CV 1
OR { 54}
(( segid "UBI " and resid 27 and name HD1 ))
(( segid "UBI " and resid 27 and name HE2 ))
OR { 54}
(( segid "UBI " and resid 27 and name HD2 ))
(( segid "UBI " and resid 27 and name HE2 ))
OR { 54}
(( segid "UBI " and resid 27 and name HD1 ))
(( segid "UBI " and resid 27 and name HE1 ))
ASSI { 55}
(( segid "UBI " and resid 27 and name HG1 ))
(( segid "UBI " and resid 27 and name HE1 ))
2.600 0.900 0.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.34060E-02 ppm1 2.634 ppm2 1.558 CV 1
OR { 55}
(( segid "UBI " and resid 27 and name HG1 ))
(( segid "UBI " and resid 27 and name HE2 ))
ASSI { 56}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 27 and name HE2 ))
2.600 0.900 0.900 peak 56 spectrum 1 weight 0.10000E+01 volume 0.32833E-02 ppm1 2.636 ppm2 1.388 CV 1
OR { 56}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 27 and name HE1 ))
ASSI { 57}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 27 and name HE1 ))
2.400 0.700 0.700 peak 57 spectrum 1 weight 0.10000E+01 volume 0.52778E-02 ppm1 2.636 ppm2 0.732 CV 1
OR { 57}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 27 and name HE2 ))
ASSI { 59}
(( segid "UBI " and resid 41 and name HB1 ))
(( segid "UBI " and resid 27 and name HE2 ))
2.900 1.000 1.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.23044E-02 ppm1 2.630 ppm2 1.926 CV 1
OR { 59}
(( segid "UBI " and resid 41 and name HB1 ))
(( segid "UBI " and resid 27 and name HE1 ))
ASSI { 61}
(( segid "UBI " and resid 48 and name HG1 ))
(( segid "UBI " and resid 48 and name HE2 ))
2.700 0.900 0.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.37742E-02 ppm1 3.145 ppm2 1.496 CV 1
OR { 61}
(( segid "UBI " and resid 48 and name HG1 ))
(( segid "UBI " and resid 48 and name HE1 ))
OR { 61}
(( segid "UBI " and resid 48 and name HG2 ))
(( segid "UBI " and resid 48 and name HE1 ))
OR { 61}
(( segid "UBI " and resid 48 and name HG2 ))
(( segid "UBI " and resid 48 and name HE2 ))
ASSI { 62}
(( segid "UBI " and resid 29 and name HE2 ))
(( segid "UBI " and resid 29 and name HE1 ))
1.400 0.300 0.800 peak 62 spectrum 1 weight 0.10000E+01 volume 0.72723E-01 ppm1 3.110 ppm2 2.954 CV 1
ASSI { 63}
(( segid "UBI " and resid 54 and name HA ))
(( segid "UBI " and resid 54 and name HD1 ))
3.300 1.400 1.400 peak 63 spectrum 1 weight 0.10000E+01 volume 0.99418E-03 ppm1 3.122 ppm2 4.671 CV 1
ASSI { 64}
(( segid "UBI " and resid 48 and name HD2 ))
(( segid "UBI " and resid 48 and name HE1 ))
2.800 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.21817E-02 ppm1 3.115 ppm2 1.832 CV 1
OR { 64}
(( segid "UBI " and resid 48 and name HD1 ))
(( segid "UBI " and resid 48 and name HE2 ))
OR { 64}
(( segid "UBI " and resid 48 and name HD2 ))
(( segid "UBI " and resid 48 and name HE2 ))
OR { 64}
(( segid "UBI " and resid 48 and name HD1 ))
(( segid "UBI " and resid 48 and name HE1 ))
ASSI { 65}
(( segid "UBI " and resid 29 and name HD1 ))
(( segid "UBI " and resid 29 and name HE1 ))
2.500 0.800 0.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.45720E-02 ppm1 3.110 ppm2 1.712 CV 1
OR { 65}
(( segid "UBI " and resid 29 and name HG1 ))
(( segid "UBI " and resid 29 and name HE1 ))
ASSI { 67}
(( segid "UBI " and resid 29 and name HD2 ))
(( segid "UBI " and resid 29 and name HE1 ))
2.700 0.900 0.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.26788E-02 ppm1 3.116 ppm2 1.422 CV 1
ASSI { 68}
(( segid "UBI " and resid 33 and name HD2 ))
(( segid "UBI " and resid 33 and name HE2 ))
3.000 1.100 1.100 peak 68 spectrum 1 weight 0.10000E+01 volume 0.17368E-02 ppm1 3.062 ppm2 1.565 CV 1
OR { 68}
(( segid "UBI " and resid 33 and name HG1 ))
(( segid "UBI " and resid 33 and name HE2 ))
ASSI { 70}
(( segid "UBI " and resid 33 and name HD1 ))
(( segid "UBI " and resid 33 and name HE2 ))
2.900 1.000 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.20068E-02 ppm1 3.061 ppm2 1.687 CV 1
ASSI { 73}
(( segid "UBI " and resid 29 and name HD1 ))
(( segid "UBI " and resid 29 and name HE2 ))
2.500 0.800 0.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.45107E-02 ppm1 2.955 ppm2 1.717 CV 1
OR { 73}
(( segid "UBI " and resid 29 and name HG1 ))
(( segid "UBI " and resid 29 and name HE2 ))
ASSI { 74}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 29 and name HE2 ))
3.100 1.200 1.200 peak 74 spectrum 1 weight 0.10000E+01 volume 0.13410E-02 ppm1 2.952 ppm2 1.540 CV 1
ASSI { 75}
(( segid "UBI " and resid 29 and name HD2 ))
(( segid "UBI " and resid 29 and name HE2 ))
3.000 1.100 1.100 peak 75 spectrum 1 weight 0.10000E+01 volume 0.13931E-02 ppm1 2.953 ppm2 1.419 CV 1
ASSI { 77}
(( segid "UBI " and resid 73 and name HB2 ))
(( segid "UBI " and resid 73 and name HB1 ))
1.800 0.400 0.400 peak 77 spectrum 1 weight 0.10000E+01 volume 0.22676E-01 ppm1 1.434 ppm2 1.275 CV 1
ASSI { 78}
( segid "UBI " and resid 73 and name HD2%)
(( segid "UBI " and resid 73 and name HB1 ))
2.900 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.20804E-02 ppm1 1.433 ppm2 0.747 CV 1
ASSI { 81}
(( segid "UBI " and resid 73 and name HA ))
(( segid "UBI " and resid 73 and name HB1 ))
3.300 1.400 1.400 peak 81 spectrum 1 weight 0.10000E+01 volume 0.80086E-03 ppm1 1.437 ppm2 4.272 CV 1
ASSI { 83}
(( segid "UBI " and resid 8 and name HB2 ))
(( segid "UBI " and resid 8 and name HB1 ))
1.600 0.300 0.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.40811E-01 ppm1 1.850 ppm2 1.700 CV 1
ASSI { 84}
( segid "UBI " and resid 8 and name HD1%)
(( segid "UBI " and resid 8 and name HB1 ))
2.400 0.700 0.700 peak 84 spectrum 1 weight 0.10000E+01 volume 0.57994E-02 ppm1 1.850 ppm2 0.910 CV 1
OR { 84}
( segid "UBI " and resid 8 and name HD2%)
(( segid "UBI " and resid 8 and name HB1 ))
ASSI { 86}
(( segid "UBI " and resid 50 and name HB1 ))
(( segid "UBI " and resid 50 and name HB2 ))
1.800 0.400 0.400 peak 86 spectrum 1 weight 0.10000E+01 volume 0.18134E-01 ppm1 0.975 ppm2 1.461 CV 1
ASSI { 89}
( segid "UBI " and resid 50 and name HD1%)
(( segid "UBI " and resid 50 and name HB1 ))
2.800 1.000 1.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.26665E-02 ppm1 1.468 ppm2 0.492 CV 1
ASSI { 90}
(( segid "UBI " and resid 50 and name HA ))
(( segid "UBI " and resid 50 and name HB1 ))
3.400 1.400 1.400 peak 90 spectrum 1 weight 0.10000E+01 volume 0.59529E-03 ppm1 1.462 ppm2 3.982 CV 1
ASSI { 92}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 50 and name HB2 ))
3.600 1.600 1.600 peak 92 spectrum 1 weight 0.10000E+01 volume 0.13164E-02 ppm1 0.971 ppm2 0.550 CV 1
ASSI { 93}
( segid "UBI " and resid 50 and name HD1%)
(( segid "UBI " and resid 50 and name HB2 ))
2.700 0.900 0.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.25315E-02 ppm1 0.976 ppm2 0.488 CV 1
ASSI { 95}
( segid "UBI " and resid 50 and name HD2%)
(( segid "UBI " and resid 50 and name HB1 ))
3.500 1.500 1.500 peak 95 spectrum 1 weight 0.10000E+01 volume 0.51858E-03 ppm1 1.466 ppm2 -0.164 CV 1
ASSI { 96}
(( segid "UBI " and resid 23 and name HG12))
(( segid "UBI " and resid 50 and name HB2 ))
3.700 1.700 1.700 peak 96 spectrum 1 weight 0.10000E+01 volume 0.14821E-02 ppm1 0.972 ppm2 1.277 CV 1
ASSI { 98}
(( segid "UBI " and resid 71 and name HB1 ))
(( segid "UBI " and resid 71 and name HB2 ))
1.500 0.300 0.700 peak 98 spectrum 1 weight 0.10000E+01 volume 0.55233E-01 ppm1 1.514 ppm2 1.636 CV 1
ASSI { 101}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 71 and name HB1 ))
2.900 1.000 1.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.24824E-02 ppm1 1.630 ppm2 0.941 CV 1
ASSI { 102}
( segid "UBI " and resid 71 and name HD2%)
(( segid "UBI " and resid 71 and name HB1 ))
3.200 1.300 1.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.11414E-02 ppm1 1.639 ppm2 0.826 CV 1
ASSI { 103}
( segid "UBI " and resid 71 and name HD2%)
(( segid "UBI " and resid 71 and name HB2 ))
3.300 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.10678E-02 ppm1 1.511 ppm2 0.829 CV 1
ASSI { 105}
(( segid "UBI " and resid 71 and name HA ))
(( segid "UBI " and resid 71 and name HB2 ))
3.000 1.100 1.100 peak 105 spectrum 1 weight 0.10000E+01 volume 0.20559E-02 ppm1 1.514 ppm2 4.930 CV 1
ASSI { 106}
(( segid "UBI " and resid 71 and name HA ))
(( segid "UBI " and resid 71 and name HB1 ))
2.900 1.000 1.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.15926E-02 ppm1 1.644 ppm2 4.927 CV 1
ASSI { 107}
(( segid "UBI " and resid 68 and name HB2 ))
(( segid "UBI " and resid 44 and name HB ))
2.600 0.800 0.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.36515E-02 ppm1 1.822 ppm2 2.913 CV 1
OR { 107}
(( segid "UBI " and resid 68 and name HB1 ))
(( segid "UBI " and resid 44 and name HB ))
ASSI { 109}
( segid "UBI " and resid 13 and name HG2%)
(( segid "UBI " and resid 13 and name HB ))
2.400 0.700 0.700 peak 109 spectrum 1 weight 0.10000E+01 volume 0.63518E-02 ppm1 1.815 ppm2 0.830 CV 1
ASSI { 110}
( segid "UBI " and resid 44 and name HD1%)
(( segid "UBI " and resid 44 and name HB ))
3.100 1.200 1.200 peak 110 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 1.819 ppm2 0.758 CV 1
ASSI { 113}
(( segid "UBI " and resid 4 and name HB1 ))
(( segid "UBI " and resid 4 and name HB2 ))
1.700 0.300 0.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.31299E-01 ppm1 2.816 ppm2 2.971 CV 1
ASSI { 114}
(( segid "UBI " and resid 32 and name HB1 ))
(( segid "UBI " and resid 32 and name HB2 ))
1.600 0.300 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.53085E-01 ppm1 2.710 ppm2 2.817 CV 1
ASSI { 116}
(( segid "UBI " and resid 29 and name HA ))
(( segid "UBI " and resid 32 and name HB1 ))
2.900 1.000 1.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.18687E-02 ppm1 2.821 ppm2 4.175 CV 1
ASSI { 117}
(( segid "UBI " and resid 32 and name HA ))
(( segid "UBI " and resid 32 and name HB1 ))
2.800 1.000 1.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.35594E-02 ppm1 2.820 ppm2 4.284 CV 1
ASSI { 118}
(( segid "UBI " and resid 29 and name HA ))
(( segid "UBI " and resid 32 and name HB2 ))
3.100 1.200 1.200 peak 118 spectrum 1 weight 0.10000E+01 volume 0.16294E-02 ppm1 2.712 ppm2 4.173 CV 1
ASSI { 120}
(( segid "UBI " and resid 66 and name HA ))
(( segid "UBI " and resid 4 and name HB2 ))
3.100 1.200 1.200 peak 120 spectrum 1 weight 0.10000E+01 volume 0.88679E-03 ppm1 2.819 ppm2 5.171 CV 1
ASSI { 121}
(( segid "UBI " and resid 4 and name HA ))
(( segid "UBI " and resid 4 and name HB2 ))
3.000 1.100 1.100 peak 121 spectrum 1 weight 0.10000E+01 volume 0.22031E-02 ppm1 2.814 ppm2 5.547 CV 1
ASSI { 123}
(( segid "UBI " and resid 21 and name HA ))
(( segid "UBI " and resid 21 and name HB1 ))
3.000 1.100 1.100 peak 123 spectrum 1 weight 0.10000E+01 volume 0.22369E-02 ppm1 2.928 ppm2 4.661 CV 1
ASSI { 124}
(( segid "UBI " and resid 21 and name HB1 ))
(( segid "UBI " and resid 21 and name HB2 ))
1.700 0.400 0.500 peak 124 spectrum 1 weight 0.10000E+01 volume 0.28690E-01 ppm1 2.503 ppm2 2.924 CV 1
ASSI { 126}
(( segid "UBI " and resid 54 and name HB2 ))
(( segid "UBI " and resid 58 and name HB1 ))
3.200 1.300 1.300 peak 126 spectrum 1 weight 0.10000E+01 volume 0.22277E-02 ppm1 2.925 ppm2 2.097 CV 1
ASSI { 127}
(( segid "UBI " and resid 58 and name HB2 ))
(( segid "UBI " and resid 58 and name HB1 ))
1.800 0.400 0.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.20160E-01 ppm1 2.927 ppm2 2.211 CV 1
ASSI { 128}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 21 and name HB2 ))
3.000 1.100 1.100 peak 128 spectrum 1 weight 0.10000E+01 volume 0.11476E-02 ppm1 2.501 ppm2 0.929 CV 1
ASSI { 131}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 21 and name HB1 ))
3.600 1.600 1.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.75485E-03 ppm1 2.940 ppm2 0.928 CV 1
ASSI { 133}
(( segid "UBI " and resid 52 and name HA ))
(( segid "UBI " and resid 52 and name HB2 ))
3.000 1.100 1.100 peak 133 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 2.447 ppm2 4.263 CV 1
ASSI { 134}
(( segid "UBI " and resid 52 and name HB1 ))
(( segid "UBI " and resid 52 and name HB2 ))
1.900 0.400 0.400 peak 134 spectrum 1 weight 0.10000E+01 volume 0.18810E-01 ppm1 2.450 ppm2 2.758 CV 1
ASSI { 138}
(( segid "UBI " and resid 54 and name HD2 ))
(( segid "UBI " and resid 58 and name HB2 ))
3.200 1.300 1.300 peak 138 spectrum 1 weight 0.10000E+01 volume 0.12213E-02 ppm1 2.218 ppm2 3.058 CV 1
ASSI { 142}
(( segid "UBI " and resid 19 and name HA ))
(( segid "UBI " and resid 56 and name HB2 ))
2.700 0.900 0.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.25039E-02 ppm1 1.240 ppm2 3.912 CV 1
ASSI { 147}
( segid "UBI " and resid 56 and name HD2%)
(( segid "UBI " and resid 56 and name HB1 ))
3.400 1.400 1.400 peak 147 spectrum 1 weight 0.10000E+01 volume 0.73644E-03 ppm1 2.022 ppm2 0.582 CV 1
ASSI { 149}
(( segid "UBI " and resid 56 and name HB2 ))
(( segid "UBI " and resid 56 and name HB1 ))
1.800 0.400 0.400 peak 149 spectrum 1 weight 0.10000E+01 volume 0.19331E-01 ppm1 2.022 ppm2 1.236 CV 1
ASSI { 152}
(( segid "UBI " and resid 19 and name HA ))
(( segid "UBI " and resid 56 and name HB1 ))
2.800 1.000 1.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.33447E-02 ppm1 2.020 ppm2 3.913 CV 1
ASSI { 153}
(( segid "UBI " and resid 56 and name HA ))
(( segid "UBI " and resid 56 and name HB1 ))
2.900 1.100 1.100 peak 153 spectrum 1 weight 0.10000E+01 volume 0.15036E-02 ppm1 2.029 ppm2 4.007 CV 1
ASSI { 154}
(( segid "UBI " and resid 1 and name HB1 ))
(( segid "UBI " and resid 1 and name HG1 ))
3.000 1.100 1.100 peak 154 spectrum 1 weight 0.10000E+01 volume 0.17950E-02 ppm1 2.457 ppm2 2.138 CV 1
ASSI { 155}
(( segid "UBI " and resid 1 and name HG2 ))
(( segid "UBI " and resid 1 and name HG1 ))
1.900 0.400 0.400 peak 155 spectrum 1 weight 0.10000E+01 volume 0.16294E-01 ppm1 2.462 ppm2 2.005 CV 1
ASSI { 156}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 1 and name HG1 ))
3.000 1.100 1.100 peak 156 spectrum 1 weight 0.10000E+01 volume 0.16692E-02 ppm1 2.465 ppm2 1.640 CV 1
ASSI { 160}
(( segid "UBI " and resid 1 and name HB1 ))
(( segid "UBI " and resid 1 and name HA ))
2.600 0.800 0.800 peak 160 spectrum 1 weight 0.10000E+01 volume 0.38049E-02 ppm1 4.194 ppm2 2.144 CV 1
ASSI { 161}
(( segid "UBI " and resid 1 and name HB2 ))
(( segid "UBI " and resid 1 and name HA ))
2.500 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.45107E-02 ppm1 4.194 ppm2 2.002 CV 1
ASSI { 162}
(( segid "UBI " and resid 16 and name HB2 ))
(( segid "UBI " and resid 16 and name HG2 ))
2.600 0.800 0.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.71189E-02 ppm1 2.041 ppm2 1.794 CV 1
ASSI { 163}
(( segid "UBI " and resid 16 and name HB1 ))
(( segid "UBI " and resid 16 and name HG2 ))
2.300 0.600 0.600 peak 163 spectrum 1 weight 0.10000E+01 volume 0.71802E-02 ppm1 2.040 ppm2 1.876 CV 1
ASSI { 164}
(( segid "UBI " and resid 16 and name HG1 ))
(( segid "UBI " and resid 16 and name HG2 ))
1.500 0.300 0.700 peak 164 spectrum 1 weight 0.10000E+01 volume 0.73030E-01 ppm1 2.035 ppm2 2.170 CV 1
ASSI { 166}
(( segid "UBI " and resid 16 and name HB1 ))
(( segid "UBI " and resid 16 and name HG1 ))
2.500 0.800 0.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.71496E-02 ppm1 2.178 ppm2 1.878 CV 1
ASSI { 167}
(( segid "UBI " and resid 16 and name HB2 ))
(( segid "UBI " and resid 16 and name HG1 ))
2.400 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.51858E-02 ppm1 2.177 ppm2 1.794 CV 1
ASSI { 168}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 40 and name HB2 ))
3.400 1.400 1.400 peak 168 spectrum 1 weight 0.10000E+01 volume 0.22830E-02 ppm1 1.797 ppm2 0.903 CV 1
ASSI { 169}
( segid "UBI " and resid 14 and name HG2%)
(( segid "UBI " and resid 2 and name HB2 ))
3.500 1.600 1.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.85921E-03 ppm1 1.571 ppm2 1.083 CV 1
ASSI { 173}
(( segid "UBI " and resid 2 and name HB1 ))
(( segid "UBI " and resid 2 and name HB2 ))
1.700 0.300 0.500 peak 173 spectrum 1 weight 0.10000E+01 volume 0.32833E-01 ppm1 1.572 ppm2 1.803 CV 1
ASSI { 174}
(( segid "UBI " and resid 40 and name HB1 ))
(( segid "UBI " and resid 40 and name HB2 ))
1.600 0.300 0.600 peak 174 spectrum 1 weight 0.10000E+01 volume 0.31299E-01 ppm1 1.797 ppm2 2.441 CV 1
ASSI { 176}
(( segid "UBI " and resid 16 and name HA ))
(( segid "UBI " and resid 16 and name HB2 ))
2.700 0.900 0.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.22983E-02 ppm1 1.796 ppm2 4.847 CV 1
ASSI { 178}
( segid "UBI " and resid 17 and name HG2%)
( segid "UBI " and resid 3 and name HD1%)
2.000 0.500 0.500 peak 178 spectrum 1 weight 0.10000E+01 volume 0.15956E-01 ppm1 0.546 ppm2 0.435 CV 1
ASSI { 179}
(( segid "UBI " and resid 3 and name HG12))
( segid "UBI " and resid 3 and name HD1%)
2.000 0.500 0.500 peak 179 spectrum 1 weight 0.10000E+01 volume 0.16017E-01 ppm1 0.545 ppm2 0.790 CV 1
ASSI { 180}
(( segid "UBI " and resid 3 and name HG11))
( segid "UBI " and resid 3 and name HD1%)
2.300 0.700 0.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.71496E-02 ppm1 0.543 ppm2 1.027 CV 1
ASSI { 181}
(( segid "UBI " and resid 3 and name HB ))
( segid "UBI " and resid 3 and name HD1%)
2.500 0.800 0.800 peak 181 spectrum 1 weight 0.10000E+01 volume 0.48789E-02 ppm1 0.542 ppm2 1.693 CV 1
ASSI { 182}
(( segid "UBI " and resid 15 and name HB1 ))
( segid "UBI " and resid 3 and name HD1%)
3.100 1.200 1.200 peak 182 spectrum 1 weight 0.10000E+01 volume 0.12765E-02 ppm1 0.545 ppm2 1.332 CV 1
ASSI { 186}
(( segid "UBI " and resid 3 and name HB ))
(( segid "UBI " and resid 3 and name HA ))
2.500 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.41425E-02 ppm1 4.114 ppm2 1.693 CV 1
ASSI { 187}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 3 and name HA ))
2.500 0.800 0.800 peak 187 spectrum 1 weight 0.10000E+01 volume 0.48482E-02 ppm1 4.115 ppm2 0.572 CV 1
ASSI { 188}
( segid "UBI " and resid 8 and name HD2%)
(( segid "UBI " and resid 8 and name HB2 ))
2.600 0.800 0.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.44800E-02 ppm1 1.714 ppm2 0.899 CV 1
OR { 188}
( segid "UBI " and resid 8 and name HD1%)
(( segid "UBI " and resid 8 and name HB2 ))
ASSI { 190}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 3 and name HB ))
2.200 0.600 0.600 peak 190 spectrum 1 weight 0.10000E+01 volume 0.10126E-01 ppm1 1.696 ppm2 0.565 CV 1
OR { 190}
( segid "UBI " and resid 3 and name HD1%)
(( segid "UBI " and resid 3 and name HB ))
ASSI { 191}
(( segid "UBI " and resid 3 and name HG12))
(( segid "UBI " and resid 3 and name HB ))
3.200 1.300 1.300 peak 191 spectrum 1 weight 0.10000E+01 volume 0.15189E-02 ppm1 1.702 ppm2 0.790 CV 1
ASSI { 192}
(( segid "UBI " and resid 3 and name HG11))
(( segid "UBI " and resid 3 and name HB ))
2.700 0.900 0.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.24763E-02 ppm1 1.699 ppm2 1.026 CV 1
ASSI { 196}
(( segid "UBI " and resid 3 and name HG12))
(( segid "UBI " and resid 3 and name HG11))
1.900 0.400 0.400 peak 196 spectrum 1 weight 0.10000E+01 volume 0.12550E-01 ppm1 1.037 ppm2 0.790 CV 1
ASSI { 199}
(( segid "UBI " and resid 15 and name HB1 ))
(( segid "UBI " and resid 3 and name HG11))
2.600 0.800 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.24701E-02 ppm1 1.033 ppm2 1.333 CV 1
ASSI { 202}
( segid "UBI " and resid 17 and name HG2%)
(( segid "UBI " and resid 3 and name HG12))
2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.23044E-02 ppm1 0.801 ppm2 0.406 CV 1
ASSI { 204}
( segid "UBI " and resid 17 and name HG2%)
(( segid "UBI " and resid 3 and name HG11))
4.100 2.100 1.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.87449E-03 ppm1 1.035 ppm2 0.409 CV 1
ASSI { 205}
(( segid "UBI " and resid 69 and name HG ))
( segid "UBI " and resid 69 and name HD1%)
2.200 0.600 0.600 peak 205 spectrum 1 weight 0.10000E+01 volume 0.94201E-02 ppm1 0.806 ppm2 1.297 CV 1
ASSI { 208}
(( segid "UBI " and resid 1 and name HG2 ))
( segid "UBI " and resid 3 and name HG2%)
3.400 1.400 1.400 peak 208 spectrum 1 weight 0.10000E+01 volume 0.91131E-03 ppm1 0.579 ppm2 2.003 CV 1
OR { 208}
(( segid "UBI " and resid 1 and name HB2 ))
( segid "UBI " and resid 3 and name HG2%)
ASSI { 214}
(( segid "UBI " and resid 4 and name HB1 ))
(( segid "UBI " and resid 4 and name HA ))
3.100 1.200 1.200 peak 214 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 5.560 ppm2 2.974 CV 1
ASSI { 217}
( segid "UBI " and resid 4 and name HD% )
(( segid "UBI " and resid 4 and name HA ))
3.200 1.300 1.300 peak 217 spectrum 1 weight 0.10000E+01 volume 0.10279E-02 ppm1 5.558 ppm2 -0.980 CV 1
ASSI { 221}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 4 and name HB1 ))
3.100 1.200 1.200 peak 221 spectrum 1 weight 0.10000E+01 volume 0.10771E-02 ppm1 2.980 ppm2 1.020 CV 1
ASSI { 223}
( segid "UBI " and resid 4 and name HD% )
(( segid "UBI " and resid 4 and name HB1 ))
3.000 1.100 1.100 peak 223 spectrum 1 weight 0.10000E+01 volume 0.15588E-02 ppm1 2.977 ppm2 -0.985 CV 1
ASSI { 224}
( segid "UBI " and resid 4 and name HD% )
(( segid "UBI " and resid 4 and name HB2 ))
3.000 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.13471E-02 ppm1 2.816 ppm2 -0.985 CV 1
ASSI { 227}
(( segid "UBI " and resid 5 and name HB ))
(( segid "UBI " and resid 5 and name HA ))
3.200 1.300 1.300 peak 227 spectrum 1 weight 0.10000E+01 volume 0.10249E-02 ppm1 4.768 ppm2 1.870 CV 1
ASSI { 228}
(( segid "UBI " and resid 67 and name HB1 ))
(( segid "UBI " and resid 5 and name HA ))
2.900 1.000 1.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.20221E-02 ppm1 4.768 ppm2 1.568 CV 1
OR { 228}
(( segid "UBI " and resid 67 and name HB2 ))
(( segid "UBI " and resid 5 and name HA ))
ASSI { 230}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 5 and name HA ))
2.200 0.600 0.600 peak 230 spectrum 1 weight 0.10000E+01 volume 0.98188E-02 ppm1 4.768 ppm2 0.661 CV 1
OR { 230}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 5 and name HA ))
ASSI { 232}
(( segid "UBI " and resid 2 and name HG1 ))
(( segid "UBI " and resid 2 and name HG2 ))
1.800 0.400 0.400 peak 232 spectrum 1 weight 0.10000E+01 volume 0.18687E-01 ppm1 1.887 ppm2 2.203 CV 1
ASSI { 233}
(( segid "UBI " and resid 48 and name HG1 ))
(( segid "UBI " and resid 48 and name HB2 ))
2.100 0.500 0.500 peak 233 spectrum 1 weight 0.10000E+01 volume 0.13594E-01 ppm1 1.885 ppm2 1.504 CV 1
OR { 233}
(( segid "UBI " and resid 48 and name HG2 ))
(( segid "UBI " and resid 48 and name HB1 ))
OR { 233}
(( segid "UBI " and resid 48 and name HG1 ))
(( segid "UBI " and resid 48 and name HB1 ))
OR { 233}
(( segid "UBI " and resid 48 and name HG2 ))
(( segid "UBI " and resid 48 and name HB2 ))
ASSI { 238}
( segid "UBI " and resid 7 and name HG2%)
( segid "UBI " and resid 5 and name HG1%)
2.400 0.700 0.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.59836E-02 ppm1 0.650 ppm2 1.115 CV 1
ASSI { 240}
(( segid "UBI " and resid 5 and name HB ))
( segid "UBI " and resid 5 and name HG1%)
2.300 0.700 0.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.75792E-02 ppm1 0.650 ppm2 1.872 CV 1
ASSI { 241}
(( segid "UBI " and resid 5 and name HA ))
( segid "UBI " and resid 5 and name HG1%)
2.700 0.900 0.900 peak 241 spectrum 1 weight 0.10000E+01 volume 0.31605E-02 ppm1 0.649 ppm2 4.760 CV 1
ASSI { 244}
(( segid "UBI " and resid 5 and name HA ))
( segid "UBI " and resid 5 and name HG2%)
2.700 0.900 0.900 peak 244 spectrum 1 weight 0.10000E+01 volume 0.31299E-02 ppm1 0.685 ppm2 4.759 CV 1
ASSI { 250}
(( segid "UBI " and resid 6 and name HB1 ))
(( segid "UBI " and resid 6 and name HA ))
2.900 1.000 1.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.22523E-02 ppm1 5.203 ppm2 1.689 CV 1
ASSI { 251}
(( segid "UBI " and resid 6 and name HB2 ))
(( segid "UBI " and resid 6 and name HA ))
2.600 0.900 0.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.29243E-02 ppm1 5.198 ppm2 1.392 CV 1
OR { 251}
(( segid "UBI " and resid 6 and name HG1 ))
(( segid "UBI " and resid 6 and name HA ))
ASSI { 252}
(( segid "UBI " and resid 6 and name HG2 ))
(( segid "UBI " and resid 6 and name HA ))
3.500 1.600 1.600 peak 252 spectrum 1 weight 0.10000E+01 volume 0.62904E-03 ppm1 5.198 ppm2 1.218 CV 1
ASSI { 254}
(( segid "UBI " and resid 6 and name HG2 ))
(( segid "UBI " and resid 6 and name HB2 ))
2.900 1.000 1.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.38049E-02 ppm1 1.387 ppm2 1.224 CV 1
ASSI { 255}
(( segid "UBI " and resid 6 and name HG2 ))
(( segid "UBI " and resid 6 and name HB1 ))
2.800 1.000 1.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.18595E-02 ppm1 1.696 ppm2 1.225 CV 1
ASSI { 256}
(( segid "UBI " and resid 6 and name HB2 ))
(( segid "UBI " and resid 6 and name HB1 ))
1.800 0.400 0.400 peak 256 spectrum 1 weight 0.10000E+01 volume 0.18687E-01 ppm1 1.697 ppm2 1.387 CV 1
ASSI { 258}
(( segid "UBI " and resid 6 and name HA ))
(( segid "UBI " and resid 6 and name HB2 ))
2.900 1.000 1.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.16017E-02 ppm1 1.389 ppm2 5.192 CV 1
ASSI { 260}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 6 and name HD2 ))
3.000 1.100 1.100 peak 260 spectrum 1 weight 0.10000E+01 volume 0.15527E-02 ppm1 1.533 ppm2 0.814 CV 1
OR { 260}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 6 and name HD1 ))
ASSI { 263}
(( segid "UBI " and resid 6 and name HG1 ))
(( segid "UBI " and resid 6 and name HD1 ))
2.000 0.500 0.500 peak 263 spectrum 1 weight 0.10000E+01 volume 0.17828E-01 ppm1 1.526 ppm2 1.403 CV 1
OR { 263}
(( segid "UBI " and resid 6 and name HG1 ))
(( segid "UBI " and resid 6 and name HD2 ))
OR { 263}
(( segid "UBI " and resid 6 and name HB2 ))
(( segid "UBI " and resid 6 and name HD2 ))
ASSI { 264}
(( segid "UBI " and resid 6 and name HE2 ))
(( segid "UBI " and resid 6 and name HD1 ))
2.800 1.000 1.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.21756E-02 ppm1 1.541 ppm2 2.862 CV 1
OR { 264}
(( segid "UBI " and resid 6 and name HE1 ))
(( segid "UBI " and resid 6 and name HD2 ))
OR { 264}
(( segid "UBI " and resid 6 and name HE2 ))
(( segid "UBI " and resid 6 and name HD2 ))
OR { 264}
(( segid "UBI " and resid 6 and name HE1 ))
(( segid "UBI " and resid 6 and name HD1 ))
ASSI { 265}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 6 and name HE1 ))
3.300 1.400 1.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 2.880 ppm2 0.816 CV 1
OR { 265}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 6 and name HE2 ))
ASSI { 266}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 6 and name HE2 ))
3.500 1.500 1.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.79169E-03 ppm1 2.876 ppm2 1.023 CV 1
OR { 266}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 6 and name HE1 ))
ASSI { 271}
(( segid "UBI " and resid 6 and name HA ))
(( segid "UBI " and resid 6 and name HG1 ))
3.100 1.200 1.200 peak 271 spectrum 1 weight 0.10000E+01 volume 0.11507E-02 ppm1 1.397 ppm2 5.188 CV 1
ASSI { 274}
(( segid "UBI " and resid 6 and name HB1 ))
(( segid "UBI " and resid 6 and name HG1 ))
2.400 0.700 0.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.10003E-01 ppm1 1.398 ppm2 1.679 CV 1
ASSI { 276}
(( segid "UBI " and resid 6 and name HD2 ))
(( segid "UBI " and resid 6 and name HG2 ))
2.200 0.600 0.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.86532E-02 ppm1 1.226 ppm2 1.509 CV 1
OR { 276}
(( segid "UBI " and resid 6 and name HD1 ))
(( segid "UBI " and resid 6 and name HG2 ))
ASSI { 277}
(( segid "UBI " and resid 6 and name HD1 ))
(( segid "UBI " and resid 6 and name HG1 ))
2.000 0.500 0.500 peak 277 spectrum 1 weight 0.10000E+01 volume 0.17920E-01 ppm1 1.409 ppm2 1.511 CV 1
OR { 277}
(( segid "UBI " and resid 6 and name HD2 ))
(( segid "UBI " and resid 6 and name HG1 ))
ASSI { 278}
(( segid "UBI " and resid 11 and name HA ))
(( segid "UBI " and resid 6 and name HG1 ))
3.700 3.700 2.300 peak 278 spectrum 1 weight 0.10000E+01 volume 0.56767E-03 ppm1 1.430 ppm2 4.267 CV 1
ASSI { 282}
(( segid "UBI " and resid 69 and name HB1 ))
(( segid "UBI " and resid 7 and name HA ))
2.600 0.800 0.800 peak 282 spectrum 1 weight 0.10000E+01 volume 0.18902E-02 ppm1 4.885 ppm2 1.597 CV 1
ASSI { 283}
( segid "UBI " and resid 7 and name HG2%)
(( segid "UBI " and resid 7 and name HA ))
2.500 0.800 0.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.41425E-02 ppm1 4.886 ppm2 1.114 CV 1
ASSI { 287}
( segid "UBI " and resid 7 and name HG2%)
(( segid "UBI " and resid 7 and name HB ))
2.300 0.600 0.600 peak 287 spectrum 1 weight 0.10000E+01 volume 0.72416E-02 ppm1 4.674 ppm2 1.111 CV 1
ASSI { 290}
(( segid "UBI " and resid 22 and name HA ))
(( segid "UBI " and resid 22 and name HB ))
2.500 0.800 0.800 peak 290 spectrum 1 weight 0.10000E+01 volume 0.40811E-02 ppm1 4.697 ppm2 4.932 CV 1
ASSI { 293}
(( segid "UBI " and resid 7 and name HA ))
(( segid "UBI " and resid 7 and name HB ))
2.100 0.500 0.500 peak 293 spectrum 1 weight 0.10000E+01 volume 0.11414E-01 ppm1 4.673 ppm2 4.882 CV 1
ASSI { 294}
( segid "UBI " and resid 22 and name HG2%)
(( segid "UBI " and resid 22 and name HB ))
2.400 0.700 0.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.64745E-02 ppm1 4.696 ppm2 1.225 CV 1
ASSI { 298}
(( segid "UBI " and resid 69 and name HB1 ))
( segid "UBI " and resid 7 and name HG2%)
2.500 0.800 0.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.37129E-02 ppm1 1.118 ppm2 1.599 CV 1
ASSI { 299}
(( segid "UBI " and resid 11 and name HB1 ))
( segid "UBI " and resid 7 and name HG2%)
2.900 1.000 1.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.25898E-02 ppm1 1.121 ppm2 1.722 CV 1
ASSI { 304}
(( segid "UBI " and resid 8 and name HB1 ))
(( segid "UBI " and resid 8 and name HA ))
2.800 1.000 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.30071E-02 ppm1 4.083 ppm2 1.846 CV 1
ASSI { 305}
(( segid "UBI " and resid 8 and name HG ))
(( segid "UBI " and resid 8 and name HA ))
2.700 0.900 0.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.25407E-02 ppm1 4.087 ppm2 1.692 CV 1
OR { 305}
(( segid "UBI " and resid 8 and name HB2 ))
(( segid "UBI " and resid 8 and name HA ))
ASSI { 306}
( segid "UBI " and resid 8 and name HD2%)
(( segid "UBI " and resid 8 and name HA ))
3.000 1.100 1.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.21633E-02 ppm1 4.084 ppm2 0.913 CV 1
OR { 306}
( segid "UBI " and resid 8 and name HD1%)
(( segid "UBI " and resid 8 and name HA ))
ASSI { 308}
(( segid "UBI " and resid 71 and name HB2 ))
( segid "UBI " and resid 71 and name HD1%)
2.500 0.800 0.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.49710E-02 ppm1 0.944 ppm2 1.507 CV 1
ASSI { 309}
(( segid "UBI " and resid 71 and name HG ))
( segid "UBI " and resid 71 and name HD1%)
2.300 0.700 0.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.70269E-02 ppm1 0.951 ppm2 1.633 CV 1
OR { 309}
(( segid "UBI " and resid 71 and name HB1 ))
( segid "UBI " and resid 71 and name HD1%)
ASSI { 311}
(( segid "UBI " and resid 40 and name HG2 ))
( segid "UBI " and resid 71 and name HD1%)
3.400 1.400 1.400 peak 311 spectrum 1 weight 0.10000E+01 volume 0.10218E-02 ppm1 0.945 ppm2 2.401 CV 1
OR { 311}
(( segid "UBI " and resid 40 and name HG1 ))
( segid "UBI " and resid 71 and name HD1%)
ASSI { 313}
(( segid "UBI " and resid 41 and name HA ))
( segid "UBI " and resid 71 and name HD1%)
3.100 1.200 1.200 peak 313 spectrum 1 weight 0.10000E+01 volume 0.16201E-02 ppm1 0.936 ppm2 4.082 CV 1
ASSI { 315}
( segid "UBI " and resid 71 and name HD2%)
(( segid "UBI " and resid 71 and name HG ))
2.700 0.900 0.900 peak 315 spectrum 1 weight 0.10000E+01 volume 0.26941E-02 ppm1 1.656 ppm2 0.832 CV 1
ASSI { 316}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 71 and name HG ))
2.900 1.000 1.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.18902E-02 ppm1 1.662 ppm2 0.942 CV 1
ASSI { 320}
( segid "UBI " and resid 9 and name HG2%)
(( segid "UBI " and resid 9 and name HA ))
2.700 0.900 0.900 peak 320 spectrum 1 weight 0.10000E+01 volume 0.36208E-02 ppm1 4.298 ppm2 1.232 CV 1
ASSI { 323}
(( segid "UBI " and resid 9 and name HA ))
(( segid "UBI " and resid 9 and name HB ))
2.500 0.800 0.800 peak 323 spectrum 1 weight 0.10000E+01 volume 0.53085E-02 ppm1 4.528 ppm2 4.292 CV 1
ASSI { 324}
( segid "UBI " and resid 9 and name HG2%)
(( segid "UBI " and resid 9 and name HB ))
2.400 0.700 0.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.65359E-02 ppm1 4.528 ppm2 1.233 CV 1
ASSI { 330}
(( segid "UBI " and resid 22 and name HA ))
( segid "UBI " and resid 22 and name HG2%)
2.600 0.900 0.900 peak 330 spectrum 1 weight 0.10000E+01 volume 0.34980E-02 ppm1 1.232 ppm2 4.928 CV 1
ASSI { 331}
(( segid "UBI " and resid 55 and name HA ))
( segid "UBI " and resid 22 and name HG2%)
3.800 1.800 1.800 peak 331 spectrum 1 weight 0.10000E+01 volume 0.64745E-03 ppm1 1.231 ppm2 5.167 CV 1
ASSI { 332}
(( segid "UBI " and resid 52 and name HB1 ))
(( segid "UBI " and resid 52 and name HA ))
2.500 0.800 0.800 peak 332 spectrum 1 weight 0.10000E+01 volume 0.46641E-02 ppm1 4.268 ppm2 2.756 CV 1
ASSI { 333}
(( segid "UBI " and resid 23 and name HB ))
(( segid "UBI " and resid 52 and name HA ))
2.300 0.600 0.600 peak 333 spectrum 1 weight 0.10000E+01 volume 0.63518E-02 ppm1 4.271 ppm2 2.379 CV 1
ASSI { 334}
(( segid "UBI " and resid 11 and name HB2 ))
(( segid "UBI " and resid 11 and name HA ))
2.700 0.900 0.900 peak 334 spectrum 1 weight 0.10000E+01 volume 0.32833E-02 ppm1 4.269 ppm2 1.660 CV 1
ASSI { 335}
(( segid "UBI " and resid 11 and name HG1 ))
(( segid "UBI " and resid 11 and name HA ))
3.000 1.100 1.100 peak 335 spectrum 1 weight 0.10000E+01 volume 0.17491E-02 ppm1 4.267 ppm2 1.365 CV 1
ASSI { 336}
(( segid "UBI " and resid 11 and name HB1 ))
(( segid "UBI " and resid 11 and name HA ))
2.800 1.000 1.000 peak 336 spectrum 1 weight 0.10000E+01 volume 0.23934E-02 ppm1 4.268 ppm2 1.715 CV 1
ASSI { 337}
(( segid "UBI " and resid 11 and name HG2 ))
(( segid "UBI " and resid 11 and name HA ))
3.500 1.500 1.500 peak 337 spectrum 1 weight 0.10000E+01 volume 0.65972E-03 ppm1 4.265 ppm2 1.184 CV 1
ASSI { 338}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 52 and name HA ))
3.100 1.200 1.200 peak 338 spectrum 1 weight 0.10000E+01 volume 0.23474E-02 ppm1 4.270 ppm2 0.733 CV 1
ASSI { 339}
(( segid "UBI " and resid 11 and name HG1 ))
(( segid "UBI " and resid 11 and name HB1 ))
2.800 1.000 1.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.28537E-02 ppm1 1.731 ppm2 1.375 CV 1
ASSI { 340}
(( segid "UBI " and resid 11 and name HG2 ))
(( segid "UBI " and resid 11 and name HB1 ))
2.900 1.000 1.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.17184E-02 ppm1 1.729 ppm2 1.198 CV 1
ASSI { 341}
(( segid "UBI " and resid 11 and name HG2 ))
(( segid "UBI " and resid 11 and name HB2 ))
3.000 1.100 1.100 peak 341 spectrum 1 weight 0.10000E+01 volume 0.20314E-02 ppm1 1.665 ppm2 1.198 CV 1
ASSI { 344}
(( segid "UBI " and resid 34 and name HG1 ))
(( segid "UBI " and resid 11 and name HB1 ))
2.200 2.200 3.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.67200E-02 ppm1 1.726 ppm2 2.144 CV 1
ASSI { 348}
(( segid "UBI " and resid 11 and name HE1 ))
(( segid "UBI " and resid 11 and name HD1 ))
3.100 1.200 1.200 peak 348 spectrum 1 weight 0.10000E+01 volume 0.12304E-02 ppm1 1.618 ppm2 2.854 CV 1
OR { 348}
(( segid "UBI " and resid 11 and name HE2 ))
(( segid "UBI " and resid 11 and name HD2 ))
OR { 348}
(( segid "UBI " and resid 11 and name HE1 ))
(( segid "UBI " and resid 11 and name HD2 ))
OR { 348}
(( segid "UBI " and resid 11 and name HE2 ))
(( segid "UBI " and resid 11 and name HD1 ))
ASSI { 349}
(( segid "UBI " and resid 11 and name HG1 ))
(( segid "UBI " and resid 11 and name HD1 ))
2.000 0.500 0.500 peak 349 spectrum 1 weight 0.10000E+01 volume 0.18595E-01 ppm1 1.597 ppm2 1.365 CV 1
OR { 349}
(( segid "UBI " and resid 11 and name HG1 ))
(( segid "UBI " and resid 11 and name HD2 ))
ASSI { 351}
(( segid "UBI " and resid 11 and name HG1 ))
(( segid "UBI " and resid 11 and name HG2 ))
1.700 0.300 0.500 peak 351 spectrum 1 weight 0.10000E+01 volume 0.33140E-01 ppm1 1.197 ppm2 1.364 CV 1
ASSI { 352}
(( segid "UBI " and resid 11 and name HD2 ))
(( segid "UBI " and resid 11 and name HG2 ))
2.200 0.600 0.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.90520E-02 ppm1 1.196 ppm2 1.585 CV 1
OR { 352}
(( segid "UBI " and resid 11 and name HD1 ))
(( segid "UBI " and resid 11 and name HG2 ))
ASSI { 355}
(( segid "UBI " and resid 4 and name HA ))
(( segid "UBI " and resid 14 and name HA ))
2.700 0.900 0.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.23995E-02 ppm1 4.908 ppm2 5.551 CV 1
ASSI { 356}
(( segid "UBI " and resid 14 and name HB ))
(( segid "UBI " and resid 14 and name HA ))
3.300 1.300 1.300 peak 356 spectrum 1 weight 0.10000E+01 volume 0.10310E-02 ppm1 4.913 ppm2 3.995 CV 1
ASSI { 357}
( segid "UBI " and resid 14 and name HG2%)
(( segid "UBI " and resid 14 and name HA ))
2.700 0.900 0.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.34060E-02 ppm1 4.907 ppm2 1.082 CV 1
ASSI { 359}
( segid "UBI " and resid 4 and name HD% )
(( segid "UBI " and resid 14 and name HA ))
3.200 1.300 1.300 peak 359 spectrum 1 weight 0.10000E+01 volume 0.10341E-02 ppm1 4.912 ppm2 -0.988 CV 1
ASSI { 360}
(( segid "UBI " and resid 6 and name HA ))
(( segid "UBI " and resid 12 and name HA ))
2.300 0.600 0.600 peak 360 spectrum 1 weight 0.10000E+01 volume 0.63824E-02 ppm1 4.992 ppm2 5.189 CV 1
ASSI { 361}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 12 and name HA ))
2.500 0.800 0.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.40504E-02 ppm1 4.991 ppm2 1.021 CV 1
ASSI { 362}
( segid "UBI " and resid 12 and name HG2%)
(( segid "UBI " and resid 12 and name HB ))
2.400 0.700 0.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.68427E-02 ppm1 3.899 ppm2 1.020 CV 1
ASSI { 363}
(( segid "UBI " and resid 12 and name HA ))
(( segid "UBI " and resid 12 and name HB ))
3.100 1.200 1.200 peak 363 spectrum 1 weight 0.10000E+01 volume 0.11721E-02 ppm1 3.904 ppm2 4.985 CV 1
ASSI { 364}
( segid "UBI " and resid 4 and name HD% )
( segid "UBI " and resid 12 and name HG2%)
3.200 1.300 1.300 peak 364 spectrum 1 weight 0.10000E+01 volume 0.12520E-02 ppm1 1.025 ppm2 -0.983 CV 1
ASSI { 365}
(( segid "UBI " and resid 4 and name HB2 ))
( segid "UBI " and resid 12 and name HG2%)
3.000 1.100 1.100 peak 365 spectrum 1 weight 0.10000E+01 volume 0.37435E-02 ppm1 1.026 ppm2 2.808 CV 1
ASSI { 369}
(( segid "UBI " and resid 6 and name HA ))
( segid "UBI " and resid 12 and name HG2%)
3.500 1.500 1.500 peak 369 spectrum 1 weight 0.10000E+01 volume 0.76404E-03 ppm1 1.025 ppm2 5.193 CV 1
ASSI { 370}
(( segid "UBI " and resid 4 and name HA ))
( segid "UBI " and resid 12 and name HG2%)
3.800 1.800 1.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.67507E-03 ppm1 1.025 ppm2 5.551 CV 1
ASSI { 371}
(( segid "UBI " and resid 13 and name HB ))
(( segid "UBI " and resid 13 and name HA ))
3.200 1.200 1.200 peak 371 spectrum 1 weight 0.10000E+01 volume 0.12029E-02 ppm1 4.425 ppm2 1.819 CV 1
ASSI { 372}
(( segid "UBI " and resid 13 and name HG11))
(( segid "UBI " and resid 13 and name HA ))
3.100 1.200 1.200 peak 372 spectrum 1 weight 0.10000E+01 volume 0.16478E-02 ppm1 4.421 ppm2 1.418 CV 1
ASSI { 373}
(( segid "UBI " and resid 13 and name HG12))
(( segid "UBI " and resid 13 and name HA ))
2.800 1.000 1.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.22461E-02 ppm1 4.421 ppm2 1.052 CV 1
ASSI { 374}
( segid "UBI " and resid 13 and name HG2%)
(( segid "UBI " and resid 13 and name HA ))
2.600 0.900 0.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.34060E-02 ppm1 4.421 ppm2 0.826 CV 1
ASSI { 375}
( segid "UBI " and resid 13 and name HD1%)
(( segid "UBI " and resid 13 and name HA ))
3.700 1.700 1.700 peak 375 spectrum 1 weight 0.10000E+01 volume 0.63824E-03 ppm1 4.421 ppm2 0.681 CV 1
ASSI { 376}
(( segid "UBI " and resid 13 and name HB ))
( segid "UBI " and resid 13 and name HD1%)
2.600 0.800 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.50937E-02 ppm1 0.685 ppm2 1.812 CV 1
ASSI { 377}
(( segid "UBI " and resid 13 and name HG11))
( segid "UBI " and resid 13 and name HD1%)
2.400 0.700 0.700 peak 377 spectrum 1 weight 0.10000E+01 volume 0.52471E-02 ppm1 0.687 ppm2 1.413 CV 1
ASSI { 378}
(( segid "UBI " and resid 13 and name HG12))
( segid "UBI " and resid 13 and name HD1%)
2.500 0.800 0.800 peak 378 spectrum 1 weight 0.10000E+01 volume 0.50630E-02 ppm1 0.686 ppm2 1.103 CV 1
ASSI { 380}
(( segid "UBI " and resid 33 and name HG2 ))
( segid "UBI " and resid 13 and name HD1%)
2.900 1.100 1.100 peak 380 spectrum 1 weight 0.10000E+01 volume 0.17429E-02 ppm1 0.686 ppm2 1.594 CV 1
OR { 380}
(( segid "UBI " and resid 33 and name HG1 ))
( segid "UBI " and resid 13 and name HD1%)
OR { 380}
(( segid "UBI " and resid 33 and name HD2 ))
( segid "UBI " and resid 13 and name HD1%)
ASSI { 382}
(( segid "UBI " and resid 34 and name HG1 ))
( segid "UBI " and resid 13 and name HD1%)
3.000 1.100 1.100 peak 382 spectrum 1 weight 0.10000E+01 volume 0.16294E-02 ppm1 0.687 ppm2 2.115 CV 1
ASSI { 386}
(( segid "UBI " and resid 13 and name HG11))
(( segid "UBI " and resid 13 and name HG12))
1.700 0.300 0.500 peak 386 spectrum 1 weight 0.10000E+01 volume 0.33447E-01 ppm1 1.063 ppm2 1.401 CV 1
ASSI { 389}
(( segid "UBI " and resid 13 and name HB ))
(( segid "UBI " and resid 13 and name HG11))
2.300 0.700 0.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.66893E-02 ppm1 1.425 ppm2 1.810 CV 1
ASSI { 390}
(( segid "UBI " and resid 13 and name HB ))
(( segid "UBI " and resid 13 and name HG12))
3.100 1.200 1.200 peak 390 spectrum 1 weight 0.10000E+01 volume 0.17613E-02 ppm1 1.060 ppm2 1.816 CV 1
ASSI { 392}
( segid "UBI " and resid 14 and name HG2%)
(( segid "UBI " and resid 14 and name HB ))
2.400 0.700 0.700 peak 392 spectrum 1 weight 0.10000E+01 volume 0.66586E-02 ppm1 4.000 ppm2 1.080 CV 1
ASSI { 399}
( segid "UBI " and resid 4 and name HE% )
( segid "UBI " and resid 14 and name HG2%)
3.100 1.200 1.200 peak 399 spectrum 1 weight 0.10000E+01 volume 0.12213E-02 ppm1 1.087 ppm2 -0.812 CV 1
ASSI { 400}
( segid "UBI " and resid 4 and name HD% )
( segid "UBI " and resid 14 and name HG2%)
3.500 1.600 1.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.72723E-03 ppm1 1.086 ppm2 -0.980 CV 1
ASSI { 401}
( segid "UBI " and resid 15 and name HD1%)
(( segid "UBI " and resid 15 and name HA ))
2.500 0.800 0.800 peak 401 spectrum 1 weight 0.10000E+01 volume 0.42652E-02 ppm1 4.719 ppm2 0.721 CV 1
ASSI { 402}
(( segid "UBI " and resid 15 and name HB2 ))
(( segid "UBI " and resid 15 and name HA ))
2.500 0.800 0.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.43880E-02 ppm1 4.720 ppm2 1.165 CV 1
ASSI { 403}
(( segid "UBI " and resid 15 and name HB1 ))
(( segid "UBI " and resid 15 and name HA ))
2.800 1.000 1.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.27402E-02 ppm1 4.719 ppm2 1.339 CV 1
ASSI { 404}
( segid "UBI " and resid 30 and name HD1%)
(( segid "UBI " and resid 30 and name HG12))
2.300 0.700 0.700 peak 404 spectrum 1 weight 0.10000E+01 volume 0.71802E-02 ppm1 0.673 ppm2 0.830 CV 1
ASSI { 405}
(( segid "UBI " and resid 30 and name HG11))
(( segid "UBI " and resid 30 and name HG12))
1.900 0.400 0.400 peak 405 spectrum 1 weight 0.10000E+01 volume 0.13747E-01 ppm1 0.672 ppm2 1.948 CV 1
ASSI { 407}
(( segid "UBI " and resid 30 and name HA ))
(( segid "UBI " and resid 30 and name HG12))
2.900 1.000 1.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.16815E-02 ppm1 0.671 ppm2 3.470 CV 1
ASSI { 408}
(( segid "UBI " and resid 2 and name HA ))
(( segid "UBI " and resid 16 and name HA ))
2.500 0.800 0.800 peak 408 spectrum 1 weight 0.10000E+01 volume 0.36822E-02 ppm1 4.857 ppm2 5.231 CV 1
ASSI { 409}
(( segid "UBI " and resid 16 and name HB1 ))
(( segid "UBI " and resid 16 and name HA ))
2.900 1.100 1.100 peak 409 spectrum 1 weight 0.10000E+01 volume 0.23781E-02 ppm1 4.856 ppm2 1.877 CV 1
ASSI { 414}
(( segid "UBI " and resid 17 and name HB ))
(( segid "UBI " and resid 17 and name HA ))
2.400 0.700 0.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.55846E-02 ppm1 4.667 ppm2 2.300 CV 1
ASSI { 415}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 17 and name HA ))
2.400 0.700 0.700 peak 415 spectrum 1 weight 0.10000E+01 volume 0.60449E-02 ppm1 4.666 ppm2 0.671 CV 1
ASSI { 416}
( segid "UBI " and resid 17 and name HG2%)
(( segid "UBI " and resid 17 and name HA ))
3.600 1.600 1.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.86532E-03 ppm1 4.667 ppm2 0.401 CV 1
ASSI { 423}
( segid "UBI " and resid 17 and name HG2%)
(( segid "UBI " and resid 17 and name HB ))
2.300 0.700 0.700 peak 423 spectrum 1 weight 0.10000E+01 volume 0.61983E-02 ppm1 2.310 ppm2 0.406 CV 1
ASSI { 429}
(( segid "UBI " and resid 17 and name HB ))
( segid "UBI " and resid 17 and name HG1%)
2.200 0.600 0.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.83462E-02 ppm1 0.676 ppm2 2.301 CV 1
ASSI { 430}
(( segid "UBI " and resid 29 and name HD1 ))
( segid "UBI " and resid 17 and name HG1%)
3.400 1.400 1.400 peak 430 spectrum 1 weight 0.10000E+01 volume 0.11660E-02 ppm1 0.673 ppm2 1.725 CV 1
OR { 430}
(( segid "UBI " and resid 29 and name HG1 ))
( segid "UBI " and resid 17 and name HG1%)
ASSI { 434}
( segid "UBI " and resid 26 and name HG1%)
( segid "UBI " and resid 17 and name HG1%)
2.300 0.700 0.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.71189E-02 ppm1 0.673 ppm2 0.932 CV 1
ASSI { 436}
( segid "UBI " and resid 17 and name HG1%)
( segid "UBI " and resid 17 and name HG2%)
2.100 0.600 0.600 peak 436 spectrum 1 weight 0.10000E+01 volume 0.13685E-01 ppm1 0.410 ppm2 0.681 CV 1
ASSI { 438}
( segid "UBI " and resid 1 and name HE% )
( segid "UBI " and resid 17 and name HG2%)
2.800 1.000 1.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.24027E-02 ppm1 0.407 ppm2 1.642 CV 1
ASSI { 442}
(( segid "UBI " and resid 1 and name HG1 ))
( segid "UBI " and resid 17 and name HG2%)
3.100 1.200 1.200 peak 442 spectrum 1 weight 0.10000E+01 volume 0.15281E-02 ppm1 0.410 ppm2 2.457 CV 1
ASSI { 444}
(( segid "UBI " and resid 18 and name HG1 ))
(( segid "UBI " and resid 18 and name HA ))
3.200 1.300 1.300 peak 444 spectrum 1 weight 0.10000E+01 volume 0.11660E-02 ppm1 4.797 ppm2 2.302 CV 1
ASSI { 445}
(( segid "UBI " and resid 18 and name HB1 ))
(( segid "UBI " and resid 18 and name HA ))
2.400 0.700 0.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.63211E-02 ppm1 4.797 ppm2 2.150 CV 1
ASSI { 446}
(( segid "UBI " and resid 18 and name HB2 ))
(( segid "UBI " and resid 18 and name HA ))
3.000 1.100 1.100 peak 446 spectrum 1 weight 0.10000E+01 volume 0.18534E-02 ppm1 4.799 ppm2 1.657 CV 1
ASSI { 447}
(( segid "UBI " and resid 18 and name HB1 ))
(( segid "UBI " and resid 18 and name HB2 ))
1.600 0.300 0.600 peak 447 spectrum 1 weight 0.10000E+01 volume 0.31912E-01 ppm1 1.669 ppm2 2.148 CV 1
ASSI { 448}
(( segid "UBI " and resid 18 and name HG1 ))
(( segid "UBI " and resid 18 and name HB2 ))
2.400 0.700 0.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.51858E-02 ppm1 1.670 ppm2 2.300 CV 1
ASSI { 452}
(( segid "UBI " and resid 18 and name HB2 ))
(( segid "UBI " and resid 18 and name HG2 ))
2.700 0.900 0.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.36515E-02 ppm1 2.208 ppm2 1.665 CV 1
ASSI { 454}
(( segid "UBI " and resid 18 and name HA ))
(( segid "UBI " and resid 18 and name HG2 ))
3.100 1.200 1.200 peak 454 spectrum 1 weight 0.10000E+01 volume 0.14698E-02 ppm1 2.199 ppm2 4.804 CV 1
ASSI { 455}
( segid "UBI " and resid 30 and name HD1%)
(( segid "UBI " and resid 30 and name HB ))
2.600 0.800 0.800 peak 455 spectrum 1 weight 0.10000E+01 volume 0.36515E-02 ppm1 2.292 ppm2 0.834 CV 1
ASSI { 460}
(( segid "UBI " and resid 36 and name HB ))
(( segid "UBI " and resid 36 and name HA ))
2.800 1.000 1.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.26604E-02 ppm1 4.394 ppm2 1.380 CV 1
OR { 460}
(( segid "UBI " and resid 36 and name HG11))
(( segid "UBI " and resid 36 and name HA ))
ASSI { 461}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 36 and name HA ))
2.600 0.800 0.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.35594E-02 ppm1 4.397 ppm2 0.905 CV 1
ASSI { 465}
(( segid "UBI " and resid 20 and name HB1 ))
(( segid "UBI " and resid 20 and name HB2 ))
1.800 0.400 0.400 peak 465 spectrum 1 weight 0.10000E+01 volume 0.22369E-01 ppm1 3.746 ppm2 4.114 CV 1
ASSI { 466}
(( segid "UBI " and resid 20 and name HA ))
(( segid "UBI " and resid 20 and name HB2 ))
2.400 0.700 0.700 peak 466 spectrum 1 weight 0.10000E+01 volume 0.54312E-02 ppm1 3.746 ppm2 4.368 CV 1
ASSI { 467}
(( segid "UBI " and resid 20 and name HA ))
(( segid "UBI " and resid 20 and name HB1 ))
2.400 0.700 0.700 peak 467 spectrum 1 weight 0.10000E+01 volume 0.61676E-02 ppm1 4.119 ppm2 4.368 CV 1
ASSI { 470}
(( segid "UBI " and resid 21 and name HB2 ))
(( segid "UBI " and resid 21 and name HA ))
2.500 0.800 0.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.37742E-02 ppm1 4.664 ppm2 2.497 CV 1
ASSI { 471}
(( segid "UBI " and resid 55 and name HA ))
(( segid "UBI " and resid 22 and name HA ))
2.300 0.700 0.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.72416E-02 ppm1 4.938 ppm2 5.173 CV 1
ASSI { 474}
( segid "UBI " and resid 55 and name HG2%)
(( segid "UBI " and resid 22 and name HA ))
3.000 1.100 1.100 peak 474 spectrum 1 weight 0.10000E+01 volume 0.15373E-02 ppm1 4.937 ppm2 1.111 CV 1
ASSI { 475}
(( segid "UBI " and resid 26 and name HB ))
(( segid "UBI " and resid 23 and name HA ))
2.400 0.700 0.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.51858E-02 ppm1 3.571 ppm2 2.315 CV 1
ASSI { 476}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 23 and name HA ))
3.200 1.300 1.300 peak 476 spectrum 1 weight 0.10000E+01 volume 0.23904E-02 ppm1 3.571 ppm2 0.931 CV 1
ASSI { 477}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 23 and name HA ))
2.600 0.800 0.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.39277E-02 ppm1 3.571 ppm2 0.734 CV 1
ASSI { 478}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 23 and name HA ))
2.300 0.700 0.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.64438E-02 ppm1 3.573 ppm2 0.554 CV 1
ASSI { 481}
(( segid "UBI " and resid 23 and name HG12))
(( segid "UBI " and resid 23 and name HB ))
2.700 0.900 0.900 peak 481 spectrum 1 weight 0.10000E+01 volume 0.23719E-02 ppm1 2.379 ppm2 1.274 CV 1
ASSI { 482}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 23 and name HB ))
2.400 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.50630E-02 ppm1 2.381 ppm2 0.733 CV 1
ASSI { 484}
(( segid "UBI " and resid 37 and name HG1 ))
(( segid "UBI " and resid 40 and name HG1 ))
3.500 1.500 1.500 peak 484 spectrum 1 weight 0.10000E+01 volume 0.13041E-02 ppm1 2.369 ppm2 2.056 CV 1
OR { 484}
(( segid "UBI " and resid 37 and name HG2 ))
(( segid "UBI " and resid 40 and name HG1 ))
OR { 484}
(( segid "UBI " and resid 37 and name HG2 ))
(( segid "UBI " and resid 40 and name HG2 ))
ASSI { 487}
(( segid "UBI " and resid 3 and name HG11))
( segid "UBI " and resid 3 and name HG2%)
4.100 2.100 1.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.63824E-03 ppm1 0.577 ppm2 1.028 CV 1
ASSI { 489}
(( segid "UBI " and resid 69 and name HB2 ))
(( segid "UBI " and resid 69 and name HG ))
2.500 0.800 0.800 peak 489 spectrum 1 weight 0.10000E+01 volume 0.54005E-02 ppm1 1.305 ppm2 1.026 CV 1
ASSI { 490}
(( segid "UBI " and resid 23 and name HG12))
(( segid "UBI " and resid 23 and name HG11))
1.800 0.400 0.400 peak 490 spectrum 1 weight 0.10000E+01 volume 0.14852E-01 ppm1 1.795 ppm2 1.273 CV 1
ASSI { 492}
(( segid "UBI " and resid 69 and name HB1 ))
(( segid "UBI " and resid 69 and name HG ))
2.200 0.600 0.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.69041E-02 ppm1 1.306 ppm2 1.600 CV 1
ASSI { 497}
(( segid "UBI " and resid 23 and name HB ))
(( segid "UBI " and resid 23 and name HG11))
2.900 1.100 1.100 peak 497 spectrum 1 weight 0.10000E+01 volume 0.16754E-02 ppm1 1.796 ppm2 2.379 CV 1
ASSI { 501}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 23 and name HG12))
2.900 1.000 1.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.17582E-02 ppm1 1.275 ppm2 0.556 CV 1
ASSI { 502}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 23 and name HG11))
2.900 1.100 1.100 peak 502 spectrum 1 weight 0.10000E+01 volume 0.16201E-02 ppm1 1.793 ppm2 0.557 CV 1
ASSI { 504}
(( segid "UBI " and resid 24 and name HB1 ))
(( segid "UBI " and resid 24 and name HA ))
2.400 0.700 0.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.71496E-02 ppm1 4.153 ppm2 2.581 CV 1
OR { 504}
(( segid "UBI " and resid 24 and name HB2 ))
(( segid "UBI " and resid 24 and name HA ))
ASSI { 505}
(( segid "UBI " and resid 27 and name HB1 ))
(( segid "UBI " and resid 24 and name HA ))
3.700 1.700 1.700 peak 505 spectrum 1 weight 0.10000E+01 volume 0.11630E-02 ppm1 4.152 ppm2 2.041 CV 1
ASSI { 507}
(( segid "UBI " and resid 27 and name HD2 ))
(( segid "UBI " and resid 24 and name HA ))
2.700 0.900 0.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.29580E-02 ppm1 4.154 ppm2 1.694 CV 1
OR { 507}
(( segid "UBI " and resid 27 and name HD1 ))
(( segid "UBI " and resid 24 and name HA ))
ASSI { 508}
(( segid "UBI " and resid 41 and name HG2 ))
(( segid "UBI " and resid 41 and name HA ))
2.500 0.800 0.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.34674E-02 ppm1 4.127 ppm2 1.619 CV 1
ASSI { 509}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 41 and name HA ))
2.800 1.000 1.000 peak 509 spectrum 1 weight 0.10000E+01 volume 0.27770E-02 ppm1 4.127 ppm2 0.806 CV 1
ASSI { 510}
(( segid "UBI " and resid 41 and name HG1 ))
(( segid "UBI " and resid 41 and name HA ))
3.000 1.100 1.100 peak 510 spectrum 1 weight 0.10000E+01 volume 0.21510E-02 ppm1 4.129 ppm2 2.509 CV 1
ASSI { 513}
(( segid "UBI " and resid 28 and name HB2 ))
(( segid "UBI " and resid 25 and name HA ))
2.700 0.900 0.900 peak 513 spectrum 1 weight 0.10000E+01 volume 0.30378E-02 ppm1 4.461 ppm2 4.070 CV 1
OR { 513}
(( segid "UBI " and resid 28 and name HB1 ))
(( segid "UBI " and resid 25 and name HA ))
ASSI { 514}
(( segid "UBI " and resid 25 and name HB1 ))
(( segid "UBI " and resid 25 and name HA ))
3.000 1.100 1.100 peak 514 spectrum 1 weight 0.10000E+01 volume 0.25744E-02 ppm1 4.462 ppm2 3.127 CV 1
ASSI { 515}
(( segid "UBI " and resid 25 and name HB2 ))
(( segid "UBI " and resid 25 and name HA ))
2.500 0.800 0.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.39583E-02 ppm1 4.461 ppm2 2.852 CV 1
ASSI { 518}
(( segid "UBI " and resid 25 and name HB1 ))
(( segid "UBI " and resid 25 and name HB2 ))
1.800 0.400 0.400 peak 518 spectrum 1 weight 0.10000E+01 volume 0.20068E-01 ppm1 2.867 ppm2 3.127 CV 1
ASSI { 520}
(( segid "UBI " and resid 21 and name HB2 ))
(( segid "UBI " and resid 25 and name HB1 ))
3.200 1.300 1.300 peak 520 spectrum 1 weight 0.10000E+01 volume 0.12550E-02 ppm1 3.131 ppm2 2.499 CV 1
ASSI { 521}
(( segid "UBI " and resid 26 and name HB ))
(( segid "UBI " and resid 26 and name HA ))
3.200 1.300 1.300 peak 521 spectrum 1 weight 0.10000E+01 volume 0.11691E-02 ppm1 3.348 ppm2 2.316 CV 1
ASSI { 522}
(( segid "UBI " and resid 29 and name HB1 ))
(( segid "UBI " and resid 26 and name HA ))
3.700 1.700 1.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.17030E-02 ppm1 3.330 ppm2 2.079 CV 1
ASSI { 523}
(( segid "UBI " and resid 29 and name HG1 ))
(( segid "UBI " and resid 26 and name HA ))
3.600 1.600 1.600 peak 523 spectrum 1 weight 0.10000E+01 volume 0.72416E-03 ppm1 3.330 ppm2 1.715 CV 1
OR { 523}
(( segid "UBI " and resid 29 and name HD1 ))
(( segid "UBI " and resid 26 and name HA ))
ASSI { 524}
(( segid "UBI " and resid 29 and name HD2 ))
(( segid "UBI " and resid 26 and name HA ))
2.800 1.000 1.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.18380E-02 ppm1 3.331 ppm2 1.418 CV 1
ASSI { 525}
( segid "UBI " and resid 26 and name HG1%)
(( segid "UBI " and resid 26 and name HA ))
2.500 0.800 0.800 peak 525 spectrum 1 weight 0.10000E+01 volume 0.46027E-02 ppm1 3.332 ppm2 0.931 CV 1
ASSI { 529}
( segid "UBI " and resid 26 and name HG2%)
(( segid "UBI " and resid 26 and name HB ))
2.200 0.600 0.600 peak 529 spectrum 1 weight 0.10000E+01 volume 0.84386E-02 ppm1 2.315 ppm2 0.656 CV 1
ASSI { 532}
( segid "UBI " and resid 3 and name HD1%)
( segid "UBI " and resid 26 and name HG1%)
2.400 0.700 0.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.51551E-02 ppm1 0.938 ppm2 0.570 CV 1
ASSI { 534}
(( segid "UBI " and resid 26 and name HB ))
( segid "UBI " and resid 26 and name HG1%)
2.300 0.600 0.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.79475E-02 ppm1 0.938 ppm2 2.308 CV 1
ASSI { 540}
( segid "UBI " and resid 17 and name HG2%)
( segid "UBI " and resid 26 and name HG1%)
3.400 1.400 1.400 peak 540 spectrum 1 weight 0.10000E+01 volume 0.10156E-02 ppm1 0.938 ppm2 0.408 CV 1
ASSI { 542}
(( segid "UBI " and resid 26 and name HA ))
( segid "UBI " and resid 26 and name HG2%)
2.600 0.900 0.900 peak 542 spectrum 1 weight 0.10000E+01 volume 0.35287E-02 ppm1 0.661 ppm2 3.326 CV 1
ASSI { 543}
(( segid "UBI " and resid 70 and name HA ))
( segid "UBI " and resid 70 and name HG1%)
3.100 1.200 1.200 peak 543 spectrum 1 weight 0.10000E+01 volume 0.11691E-02 ppm1 0.674 ppm2 4.231 CV 1
ASSI { 546}
(( segid "UBI " and resid 30 and name HB ))
(( segid "UBI " and resid 27 and name HA ))
2.700 0.900 0.900 peak 546 spectrum 1 weight 0.10000E+01 volume 0.30378E-02 ppm1 4.565 ppm2 2.287 CV 1
ASSI { 547}
(( segid "UBI " and resid 27 and name HB1 ))
(( segid "UBI " and resid 27 and name HA ))
3.200 1.300 1.300 peak 547 spectrum 1 weight 0.10000E+01 volume 0.78551E-03 ppm1 4.563 ppm2 2.042 CV 1
ASSI { 548}
(( segid "UBI " and resid 27 and name HG1 ))
(( segid "UBI " and resid 27 and name HA ))
3.100 1.200 1.200 peak 548 spectrum 1 weight 0.10000E+01 volume 0.18073E-02 ppm1 4.565 ppm2 1.564 CV 1
ASSI { 549}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 27 and name HA ))
2.300 0.700 0.700 peak 549 spectrum 1 weight 0.10000E+01 volume 0.69041E-02 ppm1 4.565 ppm2 1.398 CV 1
OR { 549}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 27 and name HA ))
ASSI { 550}
( segid "UBI " and resid 30 and name HD1%)
(( segid "UBI " and resid 27 and name HA ))
2.700 0.900 0.900 peak 550 spectrum 1 weight 0.10000E+01 volume 0.26573E-02 ppm1 4.565 ppm2 0.831 CV 1
ASSI { 552}
(( segid "UBI " and resid 27 and name HB1 ))
(( segid "UBI " and resid 27 and name HB2 ))
1.800 0.400 0.400 peak 552 spectrum 1 weight 0.10000E+01 volume 0.15987E-01 ppm1 1.417 ppm2 2.039 CV 1
ASSI { 553}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 27 and name HB1 ))
1.700 0.400 0.500 peak 553 spectrum 1 weight 0.10000E+01 volume 0.22769E-01 ppm1 2.048 ppm2 1.410 CV 1
OR { 553}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 27 and name HB1 ))
ASSI { 555}
(( segid "UBI " and resid 38 and name HB1 ))
(( segid "UBI " and resid 27 and name HB2 ))
3.100 1.200 1.200 peak 555 spectrum 1 weight 0.10000E+01 volume 0.17276E-02 ppm1 1.418 ppm2 2.215 CV 1
ASSI { 556}
(( segid "UBI " and resid 27 and name HG1 ))
(( segid "UBI " and resid 27 and name HB2 ))
2.200 2.200 3.800 peak 556 spectrum 1 weight 0.10000E+01 volume 0.57381E-02 ppm1 1.421 ppm2 1.565 CV 1
ASSI { 558}
(( segid "UBI " and resid 29 and name HA ))
(( segid "UBI " and resid 29 and name HB1 ))
2.700 0.900 0.900 peak 558 spectrum 1 weight 0.10000E+01 volume 0.27801E-02 ppm1 2.073 ppm2 4.173 CV 1
ASSI { 565}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 27 and name HG1 ))
1.700 0.400 0.500 peak 565 spectrum 1 weight 0.10000E+01 volume 0.25254E-01 ppm1 1.560 ppm2 1.392 CV 1
OR { 565}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 27 and name HG1 ))
ASSI { 566}
(( segid "UBI " and resid 27 and name HG1 ))
(( segid "UBI " and resid 27 and name HG2 ))
1.700 0.400 0.500 peak 566 spectrum 1 weight 0.10000E+01 volume 0.20866E-01 ppm1 1.378 ppm2 1.559 CV 1
ASSI { 570}
( segid "UBI " and resid 50 and name HD1%)
(( segid "UBI " and resid 50 and name HG ))
2.000 0.500 0.500 peak 570 spectrum 1 weight 0.10000E+01 volume 0.16570E-01 ppm1 1.455 ppm2 0.490 CV 1
ASSI { 571}
( segid "UBI " and resid 50 and name HD2%)
(( segid "UBI " and resid 50 and name HG ))
2.800 1.000 1.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.23137E-02 ppm1 1.457 ppm2 -0.160 CV 1
ASSI { 575}
(( segid "UBI " and resid 28 and name HB1 ))
(( segid "UBI " and resid 28 and name HA ))
1.800 0.400 0.400 peak 575 spectrum 1 weight 0.10000E+01 volume 0.31912E-01 ppm1 4.189 ppm2 4.071 CV 1
OR { 575}
(( segid "UBI " and resid 28 and name HB2 ))
(( segid "UBI " and resid 28 and name HA ))
ASSI { 577}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 28 and name HA ))
2.800 1.000 1.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.18380E-02 ppm1 4.190 ppm2 2.491 CV 1
ASSI { 578}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 28 and name HB2 ))
3.400 1.400 1.400 peak 578 spectrum 1 weight 0.10000E+01 volume 0.98501E-03 ppm1 4.080 ppm2 2.485 CV 1
ASSI { 587}
(( segid "UBI " and resid 29 and name HG1 ))
(( segid "UBI " and resid 29 and name HA ))
2.800 1.000 1.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.36822E-02 ppm1 4.177 ppm2 1.709 CV 1
ASSI { 588}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 29 and name HA ))
2.400 0.700 0.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.48482E-02 ppm1 4.181 ppm2 1.539 CV 1
ASSI { 589}
(( segid "UBI " and resid 29 and name HA ))
(( segid "UBI " and resid 29 and name HB2 ))
3.100 1.200 1.200 peak 589 spectrum 1 weight 0.10000E+01 volume 0.19117E-02 ppm1 1.873 ppm2 4.174 CV 1
ASSI { 592}
(( segid "UBI " and resid 29 and name HB2 ))
(( segid "UBI " and resid 29 and name HB1 ))
1.700 0.300 0.500 peak 592 spectrum 1 weight 0.10000E+01 volume 0.26604E-01 ppm1 2.080 ppm2 1.866 CV 1
ASSI { 593}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 29 and name HB2 ))
3.000 1.100 1.100 peak 593 spectrum 1 weight 0.10000E+01 volume 0.26174E-02 ppm1 1.870 ppm2 1.547 CV 1
ASSI { 597}
( segid "UBI " and resid 15 and name HD1%)
(( segid "UBI " and resid 29 and name HB2 ))
2.700 0.900 0.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.35594E-02 ppm1 1.874 ppm2 0.712 CV 1
OR { 597}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 29 and name HB2 ))
ASSI { 598}
( segid "UBI " and resid 15 and name HD1%)
(( segid "UBI " and resid 29 and name HB1 ))
3.000 1.100 1.100 peak 598 spectrum 1 weight 0.10000E+01 volume 0.14913E-02 ppm1 2.080 ppm2 0.713 CV 1
OR { 598}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 29 and name HB1 ))
ASSI { 601}
(( segid "UBI " and resid 29 and name HD1 ))
(( segid "UBI " and resid 29 and name HD2 ))
1.700 0.300 0.500 peak 601 spectrum 1 weight 0.10000E+01 volume 0.26328E-01 ppm1 1.428 ppm2 1.718 CV 1
ASSI { 602}
(( segid "UBI " and resid 29 and name HB2 ))
(( segid "UBI " and resid 29 and name HD2 ))
2.700 0.900 0.900 peak 602 spectrum 1 weight 0.10000E+01 volume 0.20252E-02 ppm1 1.422 ppm2 1.859 CV 1
ASSI { 603}
(( segid "UBI " and resid 29 and name HB1 ))
(( segid "UBI " and resid 29 and name HD2 ))
3.300 1.400 1.400 peak 603 spectrum 1 weight 0.10000E+01 volume 0.14975E-02 ppm1 1.423 ppm2 2.072 CV 1
ASSI { 605}
(( segid "UBI " and resid 63 and name HE1 ))
(( segid "UBI " and resid 63 and name HD2 ))
2.700 0.900 0.900 peak 605 spectrum 1 weight 0.10000E+01 volume 0.28015E-02 ppm1 1.729 ppm2 2.983 CV 1
OR { 605}
(( segid "UBI " and resid 63 and name HE1 ))
(( segid "UBI " and resid 63 and name HD1 ))
OR { 605}
(( segid "UBI " and resid 63 and name HE2 ))
(( segid "UBI " and resid 63 and name HD2 ))
OR { 605}
(( segid "UBI " and resid 63 and name HE2 ))
(( segid "UBI " and resid 63 and name HD1 ))
ASSI { 606}
(( segid "UBI " and resid 29 and name HE1 ))
(( segid "UBI " and resid 29 and name HD1 ))
3.400 1.400 1.400 peak 606 spectrum 1 weight 0.10000E+01 volume 0.62904E-03 ppm1 1.729 ppm2 3.106 CV 1
ASSI { 610}
(( segid "UBI " and resid 29 and name HD2 ))
(( segid "UBI " and resid 29 and name HG1 ))
2.200 0.600 0.600 peak 610 spectrum 1 weight 0.10000E+01 volume 0.61676E-02 ppm1 1.716 ppm2 1.421 CV 1
ASSI { 612}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 29 and name HG1 ))
1.800 0.400 0.400 peak 612 spectrum 1 weight 0.10000E+01 volume 0.18227E-01 ppm1 1.717 ppm2 1.537 CV 1
ASSI { 613}
(( segid "UBI " and resid 29 and name HB2 ))
(( segid "UBI " and resid 29 and name HG1 ))
2.300 0.700 0.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.49096E-02 ppm1 1.716 ppm2 1.864 CV 1
ASSI { 614}
(( segid "UBI " and resid 29 and name HB1 ))
(( segid "UBI " and resid 29 and name HG1 ))
2.900 1.100 1.100 peak 614 spectrum 1 weight 0.10000E+01 volume 0.32833E-02 ppm1 1.718 ppm2 2.073 CV 1
ASSI { 619}
(( segid "UBI " and resid 33 and name HB2 ))
(( segid "UBI " and resid 30 and name HA ))
3.000 1.100 1.100 peak 619 spectrum 1 weight 0.10000E+01 volume 0.13839E-02 ppm1 3.473 ppm2 1.798 CV 1
ASSI { 620}
( segid "UBI " and resid 30 and name HD1%)
(( segid "UBI " and resid 30 and name HA ))
3.600 1.700 1.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.11936E-02 ppm1 3.475 ppm2 0.825 CV 1
ASSI { 621}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 30 and name HA ))
2.200 0.600 0.600 peak 621 spectrum 1 weight 0.10000E+01 volume 0.10341E-01 ppm1 3.474 ppm2 0.664 CV 1
OR { 621}
(( segid "UBI " and resid 30 and name HG12))
(( segid "UBI " and resid 30 and name HA ))
ASSI { 622}
(( segid "UBI " and resid 30 and name HA ))
(( segid "UBI " and resid 30 and name HG11))
3.300 1.400 1.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.11752E-02 ppm1 1.958 ppm2 3.465 CV 1
ASSI { 623}
(( segid "UBI " and resid 30 and name HB ))
(( segid "UBI " and resid 30 and name HG11))
2.700 0.900 0.900 peak 623 spectrum 1 weight 0.10000E+01 volume 0.24180E-02 ppm1 1.956 ppm2 2.287 CV 1
ASSI { 627}
(( segid "UBI " and resid 30 and name HA ))
( segid "UBI " and resid 30 and name HG2%)
2.900 1.100 1.100 peak 627 spectrum 1 weight 0.10000E+01 volume 0.18779E-02 ppm1 0.664 ppm2 3.465 CV 1
ASSI { 628}
(( segid "UBI " and resid 30 and name HB ))
( segid "UBI " and resid 30 and name HG2%)
2.400 0.700 0.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.50937E-02 ppm1 0.663 ppm2 2.273 CV 1
ASSI { 635}
(( segid "UBI " and resid 30 and name HG11))
( segid "UBI " and resid 30 and name HG2%)
5.400 3.700 0.600 peak 635 spectrum 1 weight 0.10000E+01 volume 0.90214E-04 ppm1 0.664 ppm2 1.955 CV 1
ASSI { 637}
(( segid "UBI " and resid 69 and name HA ))
(( segid "UBI " and resid 69 and name HB1 ))
3.000 1.100 1.100 peak 637 spectrum 1 weight 0.10000E+01 volume 0.21234E-02 ppm1 1.604 ppm2 5.018 CV 1
ASSI { 641}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 31 and name HA ))
3.000 1.200 1.200 peak 641 spectrum 1 weight 0.10000E+01 volume 0.21479E-02 ppm1 3.790 ppm2 2.488 CV 1
ASSI { 642}
(( segid "UBI " and resid 31 and name HG1 ))
(( segid "UBI " and resid 31 and name HA ))
2.900 1.100 1.100 peak 642 spectrum 1 weight 0.10000E+01 volume 0.18257E-02 ppm1 3.799 ppm2 2.241 CV 1
ASSI { 643}
(( segid "UBI " and resid 31 and name HG2 ))
(( segid "UBI " and resid 31 and name HA ))
2.300 0.600 0.600 peak 643 spectrum 1 weight 0.10000E+01 volume 0.72416E-02 ppm1 3.796 ppm2 1.927 CV 1
OR { 643}
(( segid "UBI " and resid 31 and name HB2 ))
(( segid "UBI " and resid 31 and name HA ))
ASSI { 644}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 31 and name HB2 ))
1.800 0.400 0.400 peak 644 spectrum 1 weight 0.10000E+01 volume 0.16938E-01 ppm1 1.943 ppm2 2.485 CV 1
ASSI { 647}
(( segid "UBI " and resid 31 and name HG1 ))
(( segid "UBI " and resid 31 and name HB2 ))
2.500 0.800 0.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.29887E-02 ppm1 1.945 ppm2 2.242 CV 1
ASSI { 648}
(( segid "UBI " and resid 31 and name HA ))
(( segid "UBI " and resid 31 and name HB2 ))
2.700 0.900 0.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.25162E-02 ppm1 1.947 ppm2 3.785 CV 1
ASSI { 649}
(( segid "UBI " and resid 38 and name HD1 ))
(( segid "UBI " and resid 31 and name HB2 ))
3.100 1.200 1.200 peak 649 spectrum 1 weight 0.10000E+01 volume 0.12857E-02 ppm1 1.935 ppm2 3.714 CV 1
OR { 649}
(( segid "UBI " and resid 38 and name HD2 ))
(( segid "UBI " and resid 31 and name HB2 ))
ASSI { 653}
(( segid "UBI " and resid 31 and name HG1 ))
(( segid "UBI " and resid 31 and name HG2 ))
1.800 0.400 0.400 peak 653 spectrum 1 weight 0.10000E+01 volume 0.21449E-01 ppm1 1.909 ppm2 2.244 CV 1
ASSI { 654}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 31 and name HG2 ))
2.700 0.900 0.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.26205E-02 ppm1 1.908 ppm2 2.485 CV 1
ASSI { 655}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 31 and name HG1 ))
2.600 0.800 0.800 peak 655 spectrum 1 weight 0.10000E+01 volume 0.66279E-02 ppm1 2.251 ppm2 2.484 CV 1
ASSI { 656}
(( segid "UBI " and resid 31 and name HA ))
(( segid "UBI " and resid 31 and name HG2 ))
2.800 1.000 1.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.27125E-02 ppm1 1.909 ppm2 3.787 CV 1
ASSI { 659}
(( segid "UBI " and resid 32 and name HB2 ))
(( segid "UBI " and resid 32 and name HA ))
2.400 0.700 0.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.53391E-02 ppm1 4.296 ppm2 2.704 CV 1
ASSI { 660}
(( segid "UBI " and resid 33 and name HB1 ))
(( segid "UBI " and resid 33 and name HA ))
2.500 0.800 0.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.45720E-02 ppm1 4.270 ppm2 1.979 CV 1
ASSI { 661}
(( segid "UBI " and resid 33 and name HB2 ))
(( segid "UBI " and resid 33 and name HA ))
2.700 0.900 0.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.27892E-02 ppm1 4.271 ppm2 1.800 CV 1
ASSI { 662}
(( segid "UBI " and resid 33 and name HD1 ))
(( segid "UBI " and resid 33 and name HA ))
3.200 1.300 1.300 peak 662 spectrum 1 weight 0.10000E+01 volume 0.13594E-02 ppm1 4.271 ppm2 1.661 CV 1
ASSI { 663}
(( segid "UBI " and resid 33 and name HD2 ))
(( segid "UBI " and resid 33 and name HA ))
2.600 0.900 0.900 peak 663 spectrum 1 weight 0.10000E+01 volume 0.39277E-02 ppm1 4.271 ppm2 1.565 CV 1
OR { 663}
(( segid "UBI " and resid 33 and name HG1 ))
(( segid "UBI " and resid 33 and name HA ))
OR { 663}
(( segid "UBI " and resid 33 and name HG2 ))
(( segid "UBI " and resid 33 and name HA ))
ASSI { 665}
(( segid "UBI " and resid 33 and name HG2 ))
(( segid "UBI " and resid 33 and name HB1 ))
2.300 0.700 0.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.78245E-02 ppm1 1.987 ppm2 1.565 CV 1
OR { 665}
(( segid "UBI " and resid 33 and name HG1 ))
(( segid "UBI " and resid 33 and name HB1 ))
ASSI { 666}
(( segid "UBI " and resid 33 and name HG1 ))
(( segid "UBI " and resid 33 and name HB2 ))
2.100 0.500 0.500 peak 666 spectrum 1 weight 0.10000E+01 volume 0.13716E-01 ppm1 1.800 ppm2 1.565 CV 1
OR { 666}
(( segid "UBI " and resid 33 and name HG2 ))
(( segid "UBI " and resid 33 and name HB2 ))
ASSI { 667}
(( segid "UBI " and resid 33 and name HB2 ))
(( segid "UBI " and resid 33 and name HB1 ))
1.600 0.300 0.600 peak 667 spectrum 1 weight 0.10000E+01 volume 0.31299E-01 ppm1 1.985 ppm2 1.799 CV 1
ASSI { 674}
(( segid "UBI " and resid 33 and name HE1 ))
(( segid "UBI " and resid 33 and name HD1 ))
3.300 1.400 1.400 peak 674 spectrum 1 weight 0.10000E+01 volume 0.87143E-03 ppm1 1.686 ppm2 3.115 CV 1
ASSI { 677}
(( segid "UBI " and resid 33 and name HD1 ))
(( segid "UBI " and resid 33 and name HG1 ))
1.900 0.500 0.500 peak 677 spectrum 1 weight 0.10000E+01 volume 0.22216E-01 ppm1 1.569 ppm2 1.668 CV 1
OR { 677}
(( segid "UBI " and resid 33 and name HD1 ))
(( segid "UBI " and resid 33 and name HG2 ))
ASSI { 678}
(( segid "UBI " and resid 33 and name HE2 ))
(( segid "UBI " and resid 33 and name HG1 ))
3.300 1.400 1.400 peak 678 spectrum 1 weight 0.10000E+01 volume 0.10648E-02 ppm1 1.569 ppm2 3.085 CV 1
OR { 678}
(( segid "UBI " and resid 33 and name HE1 ))
(( segid "UBI " and resid 33 and name HG2 ))
OR { 678}
(( segid "UBI " and resid 33 and name HE2 ))
(( segid "UBI " and resid 33 and name HG2 ))
OR { 678}
(( segid "UBI " and resid 33 and name HE1 ))
(( segid "UBI " and resid 33 and name HG1 ))
ASSI { 679}
(( segid "UBI " and resid 33 and name HA ))
(( segid "UBI " and resid 33 and name HG1 ))
3.100 1.200 1.200 peak 679 spectrum 1 weight 0.10000E+01 volume 0.17675E-02 ppm1 1.569 ppm2 4.263 CV 1
OR { 679}
(( segid "UBI " and resid 33 and name HA ))
(( segid "UBI " and resid 33 and name HG2 ))
ASSI { 680}
(( segid "UBI " and resid 34 and name HB1 ))
(( segid "UBI " and resid 34 and name HA ))
2.500 0.800 0.800 peak 680 spectrum 1 weight 0.10000E+01 volume 0.44493E-02 ppm1 4.554 ppm2 2.221 CV 1
ASSI { 681}
(( segid "UBI " and resid 34 and name HG2 ))
(( segid "UBI " and resid 34 and name HA ))
2.800 1.000 1.000 peak 681 spectrum 1 weight 0.10000E+01 volume 0.28046E-02 ppm1 4.555 ppm2 2.021 CV 1
ASSI { 682}
(( segid "UBI " and resid 34 and name HB2 ))
(( segid "UBI " and resid 34 and name HA ))
2.800 1.000 1.000 peak 682 spectrum 1 weight 0.10000E+01 volume 0.38970E-02 ppm1 4.554 ppm2 1.643 CV 1
ASSI { 686}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 41 and name HG2 ))
2.800 1.000 1.000 peak 686 spectrum 1 weight 0.10000E+01 volume 0.22063E-02 ppm1 1.628 ppm2 0.902 CV 1
ASSI { 688}
(( segid "UBI " and resid 34 and name HB2 ))
(( segid "UBI " and resid 34 and name HB1 ))
1.700 0.400 0.500 peak 688 spectrum 1 weight 0.10000E+01 volume 0.26205E-01 ppm1 2.229 ppm2 1.634 CV 1
ASSI { 690}
(( segid "UBI " and resid 34 and name HG2 ))
(( segid "UBI " and resid 34 and name HB2 ))
2.400 0.700 0.700 peak 690 spectrum 1 weight 0.10000E+01 volume 0.64745E-02 ppm1 1.640 ppm2 2.023 CV 1
ASSI { 693}
(( segid "UBI " and resid 41 and name HG1 ))
(( segid "UBI " and resid 41 and name HG2 ))
1.800 0.400 0.400 peak 693 spectrum 1 weight 0.10000E+01 volume 0.15987E-01 ppm1 1.627 ppm2 2.513 CV 1
ASSI { 697}
(( segid "UBI " and resid 34 and name HG1 ))
(( segid "UBI " and resid 34 and name HB2 ))
2.400 0.700 0.700 peak 697 spectrum 1 weight 0.10000E+01 volume 0.60756E-02 ppm1 1.643 ppm2 2.131 CV 1
ASSI { 703}
(( segid "UBI " and resid 39 and name HB1 ))
(( segid "UBI " and resid 39 and name HA ))
2.600 0.800 0.800 peak 703 spectrum 1 weight 0.10000E+01 volume 0.43265E-02 ppm1 4.382 ppm2 2.704 CV 1
ASSI { 704}
(( segid "UBI " and resid 39 and name HB2 ))
(( segid "UBI " and resid 39 and name HA ))
2.500 0.800 0.800 peak 704 spectrum 1 weight 0.10000E+01 volume 0.54619E-02 ppm1 4.380 ppm2 2.642 CV 1
ASSI { 705}
(( segid "UBI " and resid 40 and name HB1 ))
(( segid "UBI " and resid 40 and name HA ))
2.600 0.800 0.800 peak 705 spectrum 1 weight 0.10000E+01 volume 0.53085E-02 ppm1 4.376 ppm2 2.432 CV 1
ASSI { 706}
(( segid "UBI " and resid 40 and name HG1 ))
(( segid "UBI " and resid 40 and name HA ))
2.400 0.700 0.700 peak 706 spectrum 1 weight 0.10000E+01 volume 0.68734E-02 ppm1 4.376 ppm2 2.368 CV 1
OR { 706}
(( segid "UBI " and resid 40 and name HG2 ))
(( segid "UBI " and resid 40 and name HA ))
ASSI { 707}
(( segid "UBI " and resid 40 and name HB2 ))
(( segid "UBI " and resid 40 and name HA ))
2.800 1.000 1.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.19117E-02 ppm1 4.379 ppm2 1.784 CV 1
ASSI { 708}
(( segid "UBI " and resid 72 and name HB1 ))
(( segid "UBI " and resid 40 and name HA ))
3.000 1.100 1.100 peak 708 spectrum 1 weight 0.10000E+01 volume 0.15373E-02 ppm1 4.376 ppm2 1.733 CV 1
ASSI { 709}
(( segid "UBI " and resid 72 and name HB2 ))
(( segid "UBI " and resid 40 and name HA ))
2.700 0.900 0.900 peak 709 spectrum 1 weight 0.10000E+01 volume 0.31912E-02 ppm1 4.377 ppm2 1.517 CV 1
ASSI { 714}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 40 and name HB1 ))
3.000 1.100 1.100 peak 714 spectrum 1 weight 0.10000E+01 volume 0.14668E-02 ppm1 2.444 ppm2 0.904 CV 1
ASSI { 717}
(( segid "UBI " and resid 37 and name HB1 ))
(( segid "UBI " and resid 37 and name HB2 ))
1.800 0.400 0.400 peak 717 spectrum 1 weight 0.10000E+01 volume 0.22953E-01 ppm1 1.948 ppm2 2.383 CV 1
ASSI { 718}
(( segid "UBI " and resid 62 and name HB1 ))
(( segid "UBI " and resid 62 and name HB2 ))
1.700 0.400 0.500 peak 718 spectrum 1 weight 0.10000E+01 volume 0.29151E-01 ppm1 1.859 ppm2 2.205 CV 1
ASSI { 721}
(( segid "UBI " and resid 41 and name HB1 ))
(( segid "UBI " and resid 41 and name HG1 ))
3.000 1.100 1.100 peak 721 spectrum 1 weight 0.10000E+01 volume 0.24579E-02 ppm1 2.517 ppm2 1.921 CV 1
ASSI { 725}
(( segid "UBI " and resid 42 and name HB1 ))
(( segid "UBI " and resid 42 and name HA ))
2.400 0.700 0.700 peak 725 spectrum 1 weight 0.10000E+01 volume 0.54926E-02 ppm1 4.502 ppm2 1.736 CV 1
OR { 725}
(( segid "UBI " and resid 42 and name HB2 ))
(( segid "UBI " and resid 42 and name HA ))
ASSI { 726}
(( segid "UBI " and resid 42 and name HG2 ))
(( segid "UBI " and resid 42 and name HA ))
2.500 0.800 0.800 peak 726 spectrum 1 weight 0.10000E+01 volume 0.38663E-02 ppm1 4.503 ppm2 1.502 CV 1
ASSI { 727}
(( segid "UBI " and resid 42 and name HD2 ))
(( segid "UBI " and resid 42 and name HA ))
3.800 1.900 1.900 peak 727 spectrum 1 weight 0.10000E+01 volume 0.65666E-03 ppm1 4.502 ppm2 3.059 CV 1
ASSI { 731}
(( segid "UBI " and resid 72 and name HA ))
(( segid "UBI " and resid 72 and name HB2 ))
2.900 1.000 1.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.18933E-02 ppm1 1.522 ppm2 4.203 CV 1
ASSI { 734}
(( segid "UBI " and resid 72 and name HD2 ))
(( segid "UBI " and resid 72 and name HB2 ))
2.800 1.000 1.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.25683E-02 ppm1 1.523 ppm2 3.126 CV 1
OR { 734}
(( segid "UBI " and resid 72 and name HD1 ))
(( segid "UBI " and resid 72 and name HB2 ))
ASSI { 735}
(( segid "UBI " and resid 72 and name HB1 ))
(( segid "UBI " and resid 72 and name HB2 ))
1.700 0.400 0.500 peak 735 spectrum 1 weight 0.10000E+01 volume 0.26941E-01 ppm1 1.523 ppm2 1.721 CV 1
ASSI { 737}
(( segid "UBI " and resid 42 and name HD1 ))
(( segid "UBI " and resid 42 and name HG2 ))
2.600 0.900 0.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.35594E-02 ppm1 1.539 ppm2 3.129 CV 1
ASSI { 745}
( segid "UBI " and resid 43 and name HD2%)
(( segid "UBI " and resid 43 and name HA ))
2.700 0.900 0.900 peak 745 spectrum 1 weight 0.10000E+01 volume 0.38663E-02 ppm1 5.354 ppm2 0.757 CV 1
OR { 745}
( segid "UBI " and resid 43 and name HD1%)
(( segid "UBI " and resid 43 and name HA ))
ASSI { 747}
(( segid "UBI " and resid 49 and name HA ))
(( segid "UBI " and resid 44 and name HA ))
2.700 0.900 0.900 peak 747 spectrum 1 weight 0.10000E+01 volume 0.24579E-02 ppm1 5.004 ppm2 4.593 CV 1
ASSI { 748}
(( segid "UBI " and resid 44 and name HG11))
(( segid "UBI " and resid 44 and name HA ))
3.000 1.100 1.100 peak 748 spectrum 1 weight 0.10000E+01 volume 0.15741E-02 ppm1 5.002 ppm2 1.432 CV 1
ASSI { 749}
(( segid "UBI " and resid 44 and name HG12))
(( segid "UBI " and resid 44 and name HA ))
3.100 1.200 1.200 peak 749 spectrum 1 weight 0.10000E+01 volume 0.13072E-02 ppm1 5.002 ppm2 1.141 CV 1
ASSI { 750}
( segid "UBI " and resid 44 and name HG2%)
(( segid "UBI " and resid 44 and name HA ))
2.900 1.000 1.000 peak 750 spectrum 1 weight 0.10000E+01 volume 0.19392E-02 ppm1 5.001 ppm2 0.832 CV 1
ASSI { 751}
(( segid "UBI " and resid 44 and name HG11))
(( segid "UBI " and resid 44 and name HB ))
2.700 0.900 0.900 peak 751 spectrum 1 weight 0.10000E+01 volume 0.23934E-02 ppm1 1.824 ppm2 1.399 CV 1
ASSI { 752}
( segid "UBI " and resid 44 and name HG2%)
(( segid "UBI " and resid 44 and name HB ))
2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.27678E-02 ppm1 1.826 ppm2 0.834 CV 1
ASSI { 755}
(( segid "UBI " and resid 34 and name HB1 ))
( segid "UBI " and resid 36 and name HD1%)
2.800 1.000 1.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.27309E-02 ppm1 0.760 ppm2 2.221 CV 1
ASSI { 758}
(( segid "UBI " and resid 36 and name HG11))
( segid "UBI " and resid 36 and name HD1%)
2.100 0.600 0.600 peak 758 spectrum 1 weight 0.10000E+01 volume 0.11906E-01 ppm1 0.761 ppm2 1.372 CV 1
OR { 758}
(( segid "UBI " and resid 36 and name HB ))
( segid "UBI " and resid 36 and name HD1%)
ASSI { 759}
(( segid "UBI " and resid 36 and name HG12))
( segid "UBI " and resid 36 and name HD1%)
2.200 0.600 0.600 peak 759 spectrum 1 weight 0.10000E+01 volume 0.10955E-01 ppm1 0.763 ppm2 1.064 CV 1
ASSI { 762}
(( segid "UBI " and resid 34 and name HG1 ))
( segid "UBI " and resid 36 and name HD1%)
3.500 1.500 1.500 peak 762 spectrum 1 weight 0.10000E+01 volume 0.78864E-03 ppm1 0.767 ppm2 2.117 CV 1
ASSI { 769}
(( segid "UBI " and resid 33 and name HG2 ))
( segid "UBI " and resid 13 and name HG2%)
3.400 1.500 1.500 peak 769 spectrum 1 weight 0.10000E+01 volume 0.77940E-03 ppm1 0.833 ppm2 1.569 CV 1
OR { 769}
(( segid "UBI " and resid 33 and name HG1 ))
( segid "UBI " and resid 13 and name HG2%)
OR { 769}
(( segid "UBI " and resid 33 and name HD2 ))
( segid "UBI " and resid 13 and name HG2%)
ASSI { 775}
(( segid "UBI " and resid 44 and name HG12))
(( segid "UBI " and resid 44 and name HG11))
1.900 0.400 0.400 peak 775 spectrum 1 weight 0.10000E+01 volume 0.13808E-01 ppm1 1.413 ppm2 1.147 CV 1
ASSI { 777}
( segid "UBI " and resid 44 and name HD1%)
(( segid "UBI " and resid 44 and name HG11))
2.700 0.900 0.900 peak 777 spectrum 1 weight 0.10000E+01 volume 0.28108E-02 ppm1 1.414 ppm2 0.769 CV 1
ASSI { 778}
( segid "UBI " and resid 44 and name HD1%)
(( segid "UBI " and resid 44 and name HG12))
2.800 1.000 1.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.22124E-02 ppm1 1.155 ppm2 0.778 CV 1
ASSI { 779}
(( segid "UBI " and resid 45 and name HB1 ))
(( segid "UBI " and resid 45 and name HA ))
2.800 0.900 0.900 peak 779 spectrum 1 weight 0.10000E+01 volume 0.40811E-02 ppm1 5.090 ppm2 2.978 CV 1
ASSI { 781}
( segid "UBI " and resid 45 and name HD% )
(( segid "UBI " and resid 45 and name HA ))
2.800 1.000 1.000 peak 781 spectrum 1 weight 0.10000E+01 volume 0.22431E-02 ppm1 5.090 ppm2 -0.682 CV 1
ASSI { 782}
(( segid "UBI " and resid 50 and name HB1 ))
(( segid "UBI " and resid 50 and name HA ))
2.800 1.000 1.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.20743E-02 ppm1 3.985 ppm2 1.463 CV 1
OR { 782}
(( segid "UBI " and resid 50 and name HG ))
(( segid "UBI " and resid 50 and name HA ))
ASSI { 783}
(( segid "UBI " and resid 50 and name HB2 ))
(( segid "UBI " and resid 50 and name HA ))
2.800 1.000 1.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.30685E-02 ppm1 3.986 ppm2 0.971 CV 1
ASSI { 784}
( segid "UBI " and resid 50 and name HD2%)
(( segid "UBI " and resid 50 and name HA ))
2.500 0.800 0.800 peak 784 spectrum 1 weight 0.10000E+01 volume 0.46948E-02 ppm1 3.985 ppm2 -0.164 CV 1
ASSI { 785}
(( segid "UBI " and resid 48 and name HB2 ))
(( segid "UBI " and resid 48 and name HA ))
2.300 0.600 0.600 peak 785 spectrum 1 weight 0.10000E+01 volume 0.84386E-02 ppm1 4.583 ppm2 1.865 CV 1
OR { 785}
(( segid "UBI " and resid 48 and name HB1 ))
(( segid "UBI " and resid 48 and name HA ))
ASSI { 786}
(( segid "UBI " and resid 48 and name HG1 ))
(( segid "UBI " and resid 48 and name HA ))
2.800 1.000 1.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.24947E-02 ppm1 4.581 ppm2 1.493 CV 1
OR { 786}
(( segid "UBI " and resid 48 and name HG2 ))
(( segid "UBI " and resid 48 and name HA ))
ASSI { 795}
(( segid "UBI " and resid 48 and name HD2 ))
(( segid "UBI " and resid 48 and name HG2 ))
2.000 0.500 0.500 peak 795 spectrum 1 weight 0.10000E+01 volume 0.16754E-01 ppm1 1.498 ppm2 1.835 CV 1
OR { 795}
(( segid "UBI " and resid 48 and name HD1 ))
(( segid "UBI " and resid 48 and name HG1 ))
OR { 795}
(( segid "UBI " and resid 48 and name HD2 ))
(( segid "UBI " and resid 48 and name HG1 ))
OR { 795}
(( segid "UBI " and resid 48 and name HD1 ))
(( segid "UBI " and resid 48 and name HG2 ))
ASSI { 796}
(( segid "UBI " and resid 63 and name HD2 ))
(( segid "UBI " and resid 63 and name HG2 ))
1.900 0.500 0.500 peak 796 spectrum 1 weight 0.10000E+01 volume 0.20589E-01 ppm1 1.458 ppm2 1.698 CV 1
OR { 796}
(( segid "UBI " and resid 63 and name HD1 ))
(( segid "UBI " and resid 63 and name HG1 ))
OR { 796}
(( segid "UBI " and resid 63 and name HD1 ))
(( segid "UBI " and resid 63 and name HG2 ))
OR { 796}
(( segid "UBI " and resid 63 and name HD2 ))
(( segid "UBI " and resid 63 and name HG1 ))
ASSI { 801}
(( segid "UBI " and resid 63 and name HB1 ))
(( segid "UBI " and resid 63 and name HG2 ))
2.500 0.800 0.800 peak 801 spectrum 1 weight 0.10000E+01 volume 0.43880E-02 ppm1 1.461 ppm2 1.985 CV 1
OR { 801}
(( segid "UBI " and resid 63 and name HB1 ))
(( segid "UBI " and resid 63 and name HG1 ))
ASSI { 802}
(( segid "UBI " and resid 63 and name HB2 ))
(( segid "UBI " and resid 63 and name HG1 ))
2.400 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.53085E-02 ppm1 1.455 ppm2 1.843 CV 1
OR { 802}
(( segid "UBI " and resid 63 and name HB2 ))
(( segid "UBI " and resid 63 and name HG2 ))
ASSI { 805}
(( segid "UBI " and resid 49 and name HG2 ))
(( segid "UBI " and resid 49 and name HB2 ))
2.000 0.500 0.500 peak 805 spectrum 1 weight 0.10000E+01 volume 0.23198E-01 ppm1 2.004 ppm2 2.211 CV 1
OR { 805}
(( segid "UBI " and resid 49 and name HG2 ))
(( segid "UBI " and resid 49 and name HB1 ))
ASSI { 806}
(( segid "UBI " and resid 49 and name HB1 ))
(( segid "UBI " and resid 49 and name HG1 ))
2.000 0.500 0.500 peak 806 spectrum 1 weight 0.10000E+01 volume 0.20405E-01 ppm1 2.261 ppm2 2.000 CV 1
OR { 806}
(( segid "UBI " and resid 49 and name HB2 ))
(( segid "UBI " and resid 49 and name HG1 ))
ASSI { 807}
(( segid "UBI " and resid 49 and name HA ))
(( segid "UBI " and resid 49 and name HG1 ))
3.500 1.600 1.600 peak 807 spectrum 1 weight 0.10000E+01 volume 0.75178E-03 ppm1 2.262 ppm2 4.590 CV 1
ASSI { 808}
(( segid "UBI " and resid 49 and name HA ))
(( segid "UBI " and resid 49 and name HG2 ))
3.200 1.300 1.300 peak 808 spectrum 1 weight 0.10000E+01 volume 0.10188E-02 ppm1 2.199 ppm2 4.599 CV 1
ASSI { 809}
(( segid "UBI " and resid 2 and name HB2 ))
(( segid "UBI " and resid 2 and name HG1 ))
3.300 1.400 1.400 peak 809 spectrum 1 weight 0.10000E+01 volume 0.72109E-03 ppm1 2.215 ppm2 1.587 CV 1
ASSI { 810}
( segid "UBI " and resid 14 and name HG2%)
(( segid "UBI " and resid 2 and name HG1 ))
4.100 2.100 1.900 peak 810 spectrum 1 weight 0.10000E+01 volume 0.33140E-03 ppm1 2.209 ppm2 1.080 CV 1
ASSI { 813}
(( segid "UBI " and resid 2 and name HA ))
(( segid "UBI " and resid 2 and name HG1 ))
3.700 1.700 1.700 peak 813 spectrum 1 weight 0.10000E+01 volume 0.53085E-03 ppm1 2.208 ppm2 5.231 CV 1
ASSI { 814}
(( segid "UBI " and resid 23 and name HA ))
(( segid "UBI " and resid 23 and name HB ))
3.300 1.400 1.400 peak 814 spectrum 1 weight 0.10000E+01 volume 0.94507E-03 ppm1 2.371 ppm2 3.553 CV 1
ASSI { 815}
( segid "UBI " and resid 44 and name HD1%)
(( segid "UBI " and resid 49 and name HG1 ))
3.800 1.800 1.800 peak 815 spectrum 1 weight 0.10000E+01 volume 0.28997E-03 ppm1 2.255 ppm2 0.759 CV 1
ASSI { 816}
( segid "UBI " and resid 45 and name HD% )
( segid "UBI " and resid 50 and name HD2%)
3.900 1.900 1.900 peak 816 spectrum 1 weight 0.10000E+01 volume 0.44800E-03 ppm1 -0.156 ppm2 -0.681 CV 1
ASSI { 817}
( segid "UBI " and resid 59 and name HD% )
( segid "UBI " and resid 50 and name HD2%)
3.200 1.300 1.300 peak 817 spectrum 1 weight 0.10000E+01 volume 0.11200E-02 ppm1 -0.161 ppm2 -0.793 CV 1
ASSI { 819}
( segid "UBI " and resid 50 and name HD1%)
( segid "UBI " and resid 50 and name HD2%)
2.400 0.700 0.700 peak 819 spectrum 1 weight 0.10000E+01 volume 0.60756E-02 ppm1 -0.157 ppm2 0.491 CV 1
ASSI { 821}
(( segid "UBI " and resid 50 and name HB2 ))
( segid "UBI " and resid 50 and name HD2%)
3.200 1.200 1.200 peak 821 spectrum 1 weight 0.10000E+01 volume 0.17889E-02 ppm1 -0.158 ppm2 0.967 CV 1
ASSI { 822}
(( segid "UBI " and resid 50 and name HG ))
( segid "UBI " and resid 50 and name HD2%)
2.400 0.700 0.700 peak 822 spectrum 1 weight 0.10000E+01 volume 0.58608E-02 ppm1 -0.158 ppm2 1.457 CV 1
OR { 822}
(( segid "UBI " and resid 50 and name HB1 ))
( segid "UBI " and resid 50 and name HD2%)
ASSI { 823}
(( segid "UBI " and resid 48 and name HB1 ))
( segid "UBI " and resid 50 and name HD2%)
3.000 1.200 1.200 peak 823 spectrum 1 weight 0.10000E+01 volume 0.16692E-02 ppm1 -0.157 ppm2 1.866 CV 1
OR { 823}
(( segid "UBI " and resid 48 and name HB2 ))
( segid "UBI " and resid 50 and name HD2%)
OR { 823}
(( segid "UBI " and resid 48 and name HD1 ))
( segid "UBI " and resid 50 and name HD2%)
ASSI { 825}
(( segid "UBI " and resid 45 and name HB2 ))
( segid "UBI " and resid 50 and name HD2%)
2.900 1.000 1.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.25776E-02 ppm1 -0.158 ppm2 2.782 CV 1
ASSI { 827}
(( segid "UBI " and resid 59 and name HB1 ))
( segid "UBI " and resid 50 and name HD2%)
3.800 1.800 1.800 peak 827 spectrum 1 weight 0.10000E+01 volume 0.41732E-03 ppm1 -0.158 ppm2 3.423 CV 1
ASSI { 829}
( segid "UBI " and resid 59 and name HE% )
( segid "UBI " and resid 50 and name HD2%)
3.300 1.400 1.400 peak 829 spectrum 1 weight 0.10000E+01 volume 0.54005E-03 ppm1 -0.156 ppm2 -1.159 CV 1
ASSI { 833}
(( segid "UBI " and resid 43 and name HB2 ))
( segid "UBI " and resid 50 and name HD1%)
2.900 1.000 1.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.23289E-02 ppm1 0.493 ppm2 1.126 CV 1
ASSI { 834}
(( segid "UBI " and resid 50 and name HG ))
( segid "UBI " and resid 50 and name HD1%)
1.900 0.500 0.500 peak 834 spectrum 1 weight 0.10000E+01 volume 0.22093E-01 ppm1 0.497 ppm2 1.452 CV 1
OR { 834}
(( segid "UBI " and resid 50 and name HB1 ))
( segid "UBI " and resid 50 and name HD1%)
ASSI { 835}
(( segid "UBI " and resid 45 and name HB2 ))
( segid "UBI " and resid 50 and name HD1%)
3.200 1.300 1.300 peak 835 spectrum 1 weight 0.10000E+01 volume 0.10279E-02 ppm1 0.494 ppm2 2.781 CV 1
ASSI { 838}
(( segid "UBI " and resid 50 and name HA ))
( segid "UBI " and resid 50 and name HD1%)
4.200 2.200 1.800 peak 838 spectrum 1 weight 0.10000E+01 volume 0.30685E-03 ppm1 0.497 ppm2 3.989 CV 1
ASSI { 847}
(( segid "UBI " and resid 37 and name HD2 ))
(( segid "UBI " and resid 37 and name HB1 ))
3.700 1.800 1.800 peak 847 spectrum 1 weight 0.10000E+01 volume 0.88984E-03 ppm1 2.395 ppm2 3.553 CV 1
ASSI { 848}
(( segid "UBI " and resid 37 and name HD2 ))
(( segid "UBI " and resid 37 and name HB2 ))
3.300 1.400 1.400 peak 848 spectrum 1 weight 0.10000E+01 volume 0.10188E-02 ppm1 1.945 ppm2 3.540 CV 1
ASSI { 849}
(( segid "UBI " and resid 38 and name HD2 ))
(( segid "UBI " and resid 37 and name HB2 ))
3.500 1.500 1.500 peak 849 spectrum 1 weight 0.10000E+01 volume 0.12581E-02 ppm1 1.953 ppm2 3.710 CV 1
OR { 849}
(( segid "UBI " and resid 38 and name HD1 ))
(( segid "UBI " and resid 37 and name HB2 ))
ASSI { 850}
(( segid "UBI " and resid 51 and name HB1 ))
(( segid "UBI " and resid 51 and name HB2 ))
1.800 0.400 0.400 peak 850 spectrum 1 weight 0.10000E+01 volume 0.22185E-01 ppm1 1.948 ppm2 2.180 CV 1
ASSI { 856}
(( segid "UBI " and resid 37 and name HG1 ))
(( segid "UBI " and resid 37 and name HB1 ))
2.300 0.700 0.700 peak 856 spectrum 1 weight 0.10000E+01 volume 0.63824E-02 ppm1 2.394 ppm2 2.042 CV 1
OR { 856}
(( segid "UBI " and resid 37 and name HG2 ))
(( segid "UBI " and resid 37 and name HB1 ))
ASSI { 861}
(( segid "UBI " and resid 21 and name HB1 ))
(( segid "UBI " and resid 17 and name HB ))
3.000 1.100 1.100 peak 861 spectrum 1 weight 0.10000E+01 volume 0.13869E-02 ppm1 2.301 ppm2 2.924 CV 1
ASSI { 862}
(( segid "UBI " and resid 51 and name HB1 ))
(( segid "UBI " and resid 51 and name HG1 ))
2.400 0.700 0.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.77940E-02 ppm1 2.396 ppm2 2.183 CV 1
ASSI { 864}
(( segid "UBI " and resid 51 and name HB2 ))
(( segid "UBI " and resid 51 and name HG1 ))
2.700 0.900 0.900 peak 864 spectrum 1 weight 0.10000E+01 volume 0.26696E-02 ppm1 2.398 ppm2 1.946 CV 1
ASSI { 866}
(( segid "UBI " and resid 54 and name HD2 ))
(( segid "UBI " and resid 54 and name HA ))
3.500 1.500 1.500 peak 866 spectrum 1 weight 0.10000E+01 volume 0.10924E-02 ppm1 4.681 ppm2 3.088 CV 1
ASSI { 867}
(( segid "UBI " and resid 54 and name HB1 ))
(( segid "UBI " and resid 54 and name HA ))
2.800 1.000 1.000 peak 867 spectrum 1 weight 0.10000E+01 volume 0.20252E-02 ppm1 4.681 ppm2 2.205 CV 1
ASSI { 868}
(( segid "UBI " and resid 54 and name HB2 ))
(( segid "UBI " and resid 54 and name HA ))
2.800 1.000 1.000 peak 868 spectrum 1 weight 0.10000E+01 volume 0.34367E-02 ppm1 4.680 ppm2 2.101 CV 1
ASSI { 869}
(( segid "UBI " and resid 54 and name HG1 ))
(( segid "UBI " and resid 54 and name HA ))
3.500 1.600 1.600 peak 869 spectrum 1 weight 0.10000E+01 volume 0.10341E-02 ppm1 4.680 ppm2 1.815 CV 1
ASSI { 870}
(( segid "UBI " and resid 54 and name HG2 ))
(( segid "UBI " and resid 54 and name HA ))
2.900 1.100 1.100 peak 870 spectrum 1 weight 0.10000E+01 volume 0.16140E-02 ppm1 4.681 ppm2 1.580 CV 1
ASSI { 872}
(( segid "UBI " and resid 54 and name HD2 ))
(( segid "UBI " and resid 54 and name HB2 ))
3.900 1.900 1.900 peak 872 spectrum 1 weight 0.10000E+01 volume 0.46027E-03 ppm1 2.114 ppm2 3.067 CV 1
ASSI { 878}
(( segid "UBI " and resid 54 and name HG1 ))
(( segid "UBI " and resid 54 and name HB2 ))
2.400 0.700 0.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.41118E-02 ppm1 2.106 ppm2 1.813 CV 1
ASSI { 879}
(( segid "UBI " and resid 54 and name HG1 ))
(( segid "UBI " and resid 54 and name HB1 ))
2.500 0.800 0.800 peak 879 spectrum 1 weight 0.10000E+01 volume 0.53085E-02 ppm1 2.213 ppm2 1.808 CV 1
ASSI { 885}
(( segid "UBI " and resid 72 and name HA ))
(( segid "UBI " and resid 72 and name HG1 ))
3.500 1.500 1.500 peak 885 spectrum 1 weight 0.10000E+01 volume 0.75178E-03 ppm1 1.606 ppm2 4.188 CV 1
ASSI { 886}
(( segid "UBI " and resid 38 and name HA ))
(( segid "UBI " and resid 38 and name HG2 ))
3.500 1.500 1.500 peak 886 spectrum 1 weight 0.10000E+01 volume 0.13992E-02 ppm1 1.609 ppm2 4.079 CV 1
ASSI { 887}
(( segid "UBI " and resid 38 and name HD2 ))
(( segid "UBI " and resid 38 and name HG2 ))
2.600 0.800 0.800 peak 887 spectrum 1 weight 0.10000E+01 volume 0.36515E-02 ppm1 1.607 ppm2 3.711 CV 1
OR { 887}
(( segid "UBI " and resid 38 and name HD1 ))
(( segid "UBI " and resid 38 and name HG2 ))
ASSI { 889}
(( segid "UBI " and resid 38 and name HB2 ))
(( segid "UBI " and resid 38 and name HG2 ))
2.400 0.700 0.700 peak 889 spectrum 1 weight 0.10000E+01 volume 0.48789E-02 ppm1 1.600 ppm2 1.976 CV 1
ASSI { 891}
(( segid "UBI " and resid 54 and name HG2 ))
(( segid "UBI " and resid 54 and name HG1 ))
1.900 0.400 0.400 peak 891 spectrum 1 weight 0.10000E+01 volume 0.15311E-01 ppm1 1.817 ppm2 1.580 CV 1
ASSI { 900}
( segid "UBI " and resid 55 and name HG2%)
(( segid "UBI " and resid 55 and name HA ))
2.800 0.900 0.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.27985E-02 ppm1 5.176 ppm2 1.109 CV 1
ASSI { 901}
(( segid "UBI " and resid 55 and name HA ))
(( segid "UBI " and resid 55 and name HB ))
2.500 0.800 0.800 peak 901 spectrum 1 weight 0.10000E+01 volume 0.38663E-02 ppm1 4.448 ppm2 5.171 CV 1
ASSI { 902}
(( segid "UBI " and resid 22 and name HA ))
(( segid "UBI " and resid 55 and name HB ))
3.800 1.800 1.800 peak 902 spectrum 1 weight 0.10000E+01 volume 0.60143E-03 ppm1 4.450 ppm2 4.924 CV 1
ASSI { 903}
( segid "UBI " and resid 55 and name HG2%)
(( segid "UBI " and resid 55 and name HB ))
2.400 0.700 0.700 peak 903 spectrum 1 weight 0.10000E+01 volume 0.59529E-02 ppm1 4.449 ppm2 1.110 CV 1
ASSI { 911}
(( segid "UBI " and resid 56 and name HG ))
(( segid "UBI " and resid 56 and name HA ))
3.200 1.200 1.200 peak 911 spectrum 1 weight 0.10000E+01 volume 0.12059E-02 ppm1 4.017 ppm2 1.657 CV 1
ASSI { 912}
(( segid "UBI " and resid 61 and name HB ))
(( segid "UBI " and resid 56 and name HA ))
3.500 1.500 1.500 peak 912 spectrum 1 weight 0.10000E+01 volume 0.86838E-03 ppm1 4.015 ppm2 1.351 CV 1
ASSI { 913}
(( segid "UBI " and resid 56 and name HB2 ))
(( segid "UBI " and resid 56 and name HA ))
2.800 1.000 1.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.32219E-02 ppm1 4.017 ppm2 1.234 CV 1
ASSI { 915}
( segid "UBI " and resid 61 and name HD1%)
(( segid "UBI " and resid 56 and name HA ))
2.800 1.000 1.000 peak 915 spectrum 1 weight 0.10000E+01 volume 0.19608E-02 ppm1 4.018 ppm2 0.355 CV 1
ASSI { 916}
( segid "UBI " and resid 59 and name HD% )
(( segid "UBI " and resid 56 and name HA ))
3.500 1.600 1.600 peak 916 spectrum 1 weight 0.10000E+01 volume 0.49403E-03 ppm1 4.016 ppm2 -0.795 CV 1
ASSI { 917}
(( segid "UBI " and resid 61 and name HG11))
(( segid "UBI " and resid 56 and name HA ))
4.100 2.100 1.900 peak 917 spectrum 1 weight 0.10000E+01 volume 0.29488E-03 ppm1 3.997 ppm2 1.075 CV 1
ASSI { 921}
(( segid "UBI " and resid 43 and name HG ))
( segid "UBI " and resid 43 and name HD2%)
2.400 0.700 0.700 peak 921 spectrum 1 weight 0.10000E+01 volume 0.56767E-02 ppm1 0.735 ppm2 1.428 CV 1
ASSI { 925}
(( segid "UBI " and resid 56 and name HB1 ))
( segid "UBI " and resid 56 and name HD1%)
2.900 1.000 1.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.25008E-02 ppm1 0.719 ppm2 2.021 CV 1
ASSI { 928}
(( segid "UBI " and resid 27 and name HE2 ))
( segid "UBI " and resid 43 and name HD2%)
3.400 1.500 1.500 peak 928 spectrum 1 weight 0.10000E+01 volume 0.95125E-03 ppm1 0.735 ppm2 2.626 CV 1
OR { 928}
(( segid "UBI " and resid 27 and name HE1 ))
( segid "UBI " and resid 43 and name HD2%)
ASSI { 929}
(( segid "UBI " and resid 21 and name HB1 ))
( segid "UBI " and resid 56 and name HD1%)
3.100 1.200 1.200 peak 929 spectrum 1 weight 0.10000E+01 volume 0.13010E-02 ppm1 0.712 ppm2 2.916 CV 1
ASSI { 930}
(( segid "UBI " and resid 19 and name HA ))
( segid "UBI " and resid 56 and name HD1%)
3.500 1.600 1.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.75178E-03 ppm1 0.721 ppm2 3.916 CV 1
ASSI { 933}
(( segid "UBI " and resid 7 and name HA ))
( segid "UBI " and resid 69 and name HD2%)
4.400 2.400 1.600 peak 933 spectrum 1 weight 0.10000E+01 volume 0.39890E-03 ppm1 0.702 ppm2 4.882 CV 1
ASSI { 935}
(( segid "UBI " and resid 56 and name HA ))
( segid "UBI " and resid 56 and name HD2%)
2.600 0.900 0.900 peak 935 spectrum 1 weight 0.10000E+01 volume 0.38049E-02 ppm1 0.584 ppm2 4.010 CV 1
ASSI { 936}
(( segid "UBI " and resid 19 and name HA ))
( segid "UBI " and resid 56 and name HD2%)
4.100 2.100 1.900 peak 936 spectrum 1 weight 0.10000E+01 volume 0.38970E-03 ppm1 0.581 ppm2 3.887 CV 1
ASSI { 939}
(( segid "UBI " and resid 56 and name HG ))
( segid "UBI " and resid 56 and name HD2%)
2.500 0.800 0.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.41118E-02 ppm1 0.583 ppm2 1.651 CV 1
ASSI { 940}
(( segid "UBI " and resid 61 and name HB ))
( segid "UBI " and resid 56 and name HD2%)
3.300 1.400 1.400 peak 940 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 0.583 ppm2 1.346 CV 1
ASSI { 941}
(( segid "UBI " and resid 56 and name HB2 ))
( segid "UBI " and resid 56 and name HD2%)
2.900 1.100 1.100 peak 941 spectrum 1 weight 0.10000E+01 volume 0.24670E-02 ppm1 0.584 ppm2 1.237 CV 1
ASSI { 942}
( segid "UBI " and resid 26 and name HG1%)
( segid "UBI " and resid 56 and name HD2%)
2.600 0.800 0.800 peak 942 spectrum 1 weight 0.10000E+01 volume 0.49403E-02 ppm1 0.584 ppm2 0.934 CV 1
ASSI { 943}
( segid "UBI " and resid 61 and name HD1%)
( segid "UBI " and resid 56 and name HD2%)
2.600 0.900 0.900 peak 943 spectrum 1 weight 0.10000E+01 volume 0.35594E-02 ppm1 0.584 ppm2 0.358 CV 1
ASSI { 946}
(( segid "UBI " and resid 57 and name HB1 ))
(( segid "UBI " and resid 57 and name HA ))
3.500 1.500 1.500 peak 946 spectrum 1 weight 0.10000E+01 volume 0.99418E-03 ppm1 4.218 ppm2 3.835 CV 1
ASSI { 948}
(( segid "UBI " and resid 20 and name HB1 ))
(( segid "UBI " and resid 57 and name HB2 ))
2.400 2.400 3.600 peak 948 spectrum 1 weight 0.10000E+01 volume 0.56153E-02 ppm1 3.747 ppm2 4.110 CV 1
ASSI { 949}
(( segid "UBI " and resid 19 and name HA ))
(( segid "UBI " and resid 57 and name HB2 ))
2.200 2.200 3.800 peak 949 spectrum 1 weight 0.10000E+01 volume 0.90214E-02 ppm1 3.752 ppm2 3.945 CV 1
ASSI { 954}
(( segid "UBI " and resid 58 and name HB1 ))
(( segid "UBI " and resid 58 and name HA ))
3.000 1.100 1.100 peak 954 spectrum 1 weight 0.10000E+01 volume 0.18380E-02 ppm1 4.250 ppm2 2.924 CV 1
ASSI { 955}
(( segid "UBI " and resid 58 and name HB2 ))
(( segid "UBI " and resid 58 and name HA ))
2.500 0.800 0.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.49403E-02 ppm1 4.255 ppm2 2.212 CV 1
ASSI { 957}
(( segid "UBI " and resid 59 and name HB1 ))
(( segid "UBI " and resid 59 and name HA ))
2.600 0.900 0.900 peak 957 spectrum 1 weight 0.10000E+01 volume 0.29641E-02 ppm1 4.621 ppm2 3.419 CV 1
ASSI { 958}
(( segid "UBI " and resid 59 and name HB2 ))
(( segid "UBI " and resid 59 and name HA ))
3.300 1.300 1.300 peak 958 spectrum 1 weight 0.10000E+01 volume 0.13900E-02 ppm1 4.620 ppm2 2.464 CV 1
ASSI { 959}
( segid "UBI " and resid 59 and name HD% )
(( segid "UBI " and resid 59 and name HA ))
2.700 0.900 0.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.31299E-02 ppm1 4.622 ppm2 -0.792 CV 1
ASSI { 962}
(( segid "UBI " and resid 59 and name HB1 ))
(( segid "UBI " and resid 59 and name HB2 ))
1.800 0.400 0.400 peak 962 spectrum 1 weight 0.10000E+01 volume 0.18656E-01 ppm1 2.469 ppm2 3.420 CV 1
ASSI { 964}
(( segid "UBI " and resid 61 and name HG11))
(( segid "UBI " and resid 59 and name HB2 ))
2.800 1.000 1.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.11906E-02 ppm1 2.478 ppm2 1.080 CV 1
ASSI { 965}
(( segid "UBI " and resid 61 and name HG11))
(( segid "UBI " and resid 59 and name HB1 ))
3.200 1.300 1.300 peak 965 spectrum 1 weight 0.10000E+01 volume 0.13440E-02 ppm1 3.427 ppm2 1.082 CV 1
ASSI { 968}
( segid "UBI " and resid 50 and name HD2%)
(( segid "UBI " and resid 59 and name HB2 ))
4.400 2.400 1.600 peak 968 spectrum 1 weight 0.10000E+01 volume 0.18595E-03 ppm1 2.469 ppm2 -0.166 CV 1
ASSI { 970}
( segid "UBI " and resid 45 and name HD% )
(( segid "UBI " and resid 59 and name HB2 ))
4.600 2.600 1.400 peak 970 spectrum 1 weight 0.10000E+01 volume 0.24211E-03 ppm1 2.466 ppm2 -0.674 CV 1
ASSI { 971}
( segid "UBI " and resid 45 and name HD% )
(( segid "UBI " and resid 59 and name HB1 ))
3.700 1.700 1.700 peak 971 spectrum 1 weight 0.10000E+01 volume 0.42652E-03 ppm1 3.434 ppm2 -0.688 CV 1
ASSI { 972}
( segid "UBI " and resid 59 and name HD% )
(( segid "UBI " and resid 59 and name HB2 ))
2.600 0.800 0.800 peak 972 spectrum 1 weight 0.10000E+01 volume 0.30685E-02 ppm1 2.469 ppm2 -0.794 CV 1
ASSI { 973}
( segid "UBI " and resid 59 and name HD% )
(( segid "UBI " and resid 59 and name HB1 ))
2.800 1.000 1.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.25223E-02 ppm1 3.426 ppm2 -0.790 CV 1
ASSI { 974}
(( segid "UBI " and resid 60 and name HB1 ))
(( segid "UBI " and resid 60 and name HA ))
2.600 0.900 0.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.35594E-02 ppm1 4.295 ppm2 3.249 CV 1
ASSI { 975}
(( segid "UBI " and resid 60 and name HB2 ))
(( segid "UBI " and resid 60 and name HA ))
2.600 0.900 0.900 peak 975 spectrum 1 weight 0.10000E+01 volume 0.38970E-02 ppm1 4.296 ppm2 2.754 CV 1
ASSI { 978}
(( segid "UBI " and resid 60 and name HB1 ))
(( segid "UBI " and resid 60 and name HB2 ))
1.800 0.400 0.400 peak 978 spectrum 1 weight 0.10000E+01 volume 0.22799E-01 ppm1 2.760 ppm2 3.249 CV 1
ASSI { 980}
(( segid "UBI " and resid 61 and name HB ))
(( segid "UBI " and resid 61 and name HA ))
3.200 1.300 1.300 peak 980 spectrum 1 weight 0.10000E+01 volume 0.11230E-02 ppm1 3.354 ppm2 1.347 CV 1
ASSI { 981}
(( segid "UBI " and resid 61 and name HG11))
(( segid "UBI " and resid 61 and name HA ))
3.100 1.200 1.200 peak 981 spectrum 1 weight 0.10000E+01 volume 0.16140E-02 ppm1 3.354 ppm2 1.077 CV 1
ASSI { 982}
( segid "UBI " and resid 61 and name HG2%)
(( segid "UBI " and resid 61 and name HA ))
2.700 0.900 0.900 peak 982 spectrum 1 weight 0.10000E+01 volume 0.29580E-02 ppm1 3.353 ppm2 0.428 CV 1
ASSI { 983}
( segid "UBI " and resid 61 and name HD1%)
(( segid "UBI " and resid 61 and name HA ))
4.400 2.500 1.600 peak 983 spectrum 1 weight 0.10000E+01 volume 0.40197E-03 ppm1 3.355 ppm2 0.350 CV 1
ASSI { 984}
(( segid "UBI " and resid 61 and name HG12))
(( segid "UBI " and resid 61 and name HA ))
2.600 0.800 0.800 peak 984 spectrum 1 weight 0.10000E+01 volume 0.30992E-02 ppm1 3.354 ppm2 -0.277 CV 1
ASSI { 985}
(( segid "UBI " and resid 45 and name HZ ))
(( segid "UBI " and resid 61 and name HA ))
3.900 1.900 1.900 peak 985 spectrum 1 weight 0.10000E+01 volume 0.42038E-03 ppm1 3.352 ppm2 -0.560 CV 1
ASSI { 990}
( segid "UBI " and resid 61 and name HG2%)
(( segid "UBI " and resid 61 and name HB ))
2.500 0.800 0.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.45107E-02 ppm1 1.355 ppm2 0.436 CV 1
ASSI { 992}
(( segid "UBI " and resid 61 and name HG12))
(( segid "UBI " and resid 61 and name HB ))
3.500 1.500 1.500 peak 992 spectrum 1 weight 0.10000E+01 volume 0.85921E-03 ppm1 1.360 ppm2 -0.275 CV 1
ASSI { 994}
(( segid "UBI " and resid 59 and name HB1 ))
( segid "UBI " and resid 61 and name HD1%)
3.400 1.400 1.400 peak 994 spectrum 1 weight 0.10000E+01 volume 0.12120E-02 ppm1 0.360 ppm2 3.414 CV 1
ASSI { 996}
(( segid "UBI " and resid 45 and name HB2 ))
( segid "UBI " and resid 61 and name HD1%)
3.500 1.500 1.500 peak 996 spectrum 1 weight 0.10000E+01 volume 0.73337E-03 ppm1 0.360 ppm2 2.771 CV 1
ASSI { 997}
(( segid "UBI " and resid 59 and name HB2 ))
( segid "UBI " and resid 61 and name HD1%)
2.900 1.000 1.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.16417E-02 ppm1 0.359 ppm2 2.461 CV 1
ASSI { 999}
(( segid "UBI " and resid 61 and name HB ))
( segid "UBI " and resid 61 and name HD1%)
2.700 0.900 0.900 peak 999 spectrum 1 weight 0.10000E+01 volume 0.29857E-02 ppm1 0.358 ppm2 1.349 CV 1
ASSI { 1000}
(( segid "UBI " and resid 56 and name HB2 ))
( segid "UBI " and resid 61 and name HD1%)
4.300 2.300 1.700 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.61676E-03 ppm1 0.361 ppm2 1.240 CV 1
ASSI { 1001}
(( segid "UBI " and resid 61 and name HG11))
( segid "UBI " and resid 61 and name HD1%)
2.500 0.800 0.800 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.40504E-02 ppm1 0.359 ppm2 1.079 CV 1
ASSI { 1002}
( segid "UBI " and resid 50 and name HD2%)
( segid "UBI " and resid 61 and name HD1%)
2.800 1.000 1.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.20467E-02 ppm1 0.359 ppm2 -0.167 CV 1
ASSI { 1003}
(( segid "UBI " and resid 61 and name HG12))
( segid "UBI " and resid 61 and name HD1%)
2.600 0.900 0.900 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.30992E-02 ppm1 0.360 ppm2 -0.276 CV 1
ASSI { 1004}
( segid "UBI " and resid 45 and name HD% )
( segid "UBI " and resid 61 and name HD1%)
3.900 1.900 1.900 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.47868E-03 ppm1 0.360 ppm2 -0.678 CV 1
ASSI { 1005}
( segid "UBI " and resid 59 and name HD% )
( segid "UBI " and resid 61 and name HD1%)
4.000 2.000 2.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.39583E-03 ppm1 0.358 ppm2 -0.796 CV 1
ASSI { 1006}
( segid "UBI " and resid 17 and name HG2%)
(( segid "UBI " and resid 1 and name HG2 ))
3.100 1.200 1.200 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.14575E-02 ppm1 2.009 ppm2 0.405 CV 1
ASSI { 1007}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 1 and name HG2 ))
3.600 1.600 1.600 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.52471E-03 ppm1 2.011 ppm2 1.642 CV 1
ASSI { 1008}
(( segid "UBI " and resid 1 and name HB1 ))
(( segid "UBI " and resid 1 and name HG2 ))
2.200 0.600 0.600 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.85921E-02 ppm1 2.011 ppm2 2.144 CV 1
ASSI { 1011}
(( segid "UBI " and resid 1 and name HA ))
(( segid "UBI " and resid 1 and name HG2 ))
4.500 2.500 1.500 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.26112E-03 ppm1 2.007 ppm2 4.188 CV 1
ASSI { 1012}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 1 and name HG2 ))
3.600 1.600 1.600 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.58915E-03 ppm1 2.007 ppm2 0.578 CV 1
ASSI { 1013}
(( segid "UBI " and resid 34 and name HB1 ))
(( segid "UBI " and resid 36 and name HG11))
3.400 1.500 1.500 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.68734E-03 ppm1 1.372 ppm2 2.224 CV 1
ASSI { 1015}
(( segid "UBI " and resid 36 and name HG12))
(( segid "UBI " and resid 36 and name HG11))
1.700 0.400 0.500 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.23566E-01 ppm1 1.364 ppm2 1.068 CV 1
ASSI { 1021}
(( segid "UBI " and resid 2 and name HG2 ))
(( segid "UBI " and resid 2 and name HA ))
3.300 1.300 1.300 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.10678E-02 ppm1 5.235 ppm2 1.860 CV 1
ASSI { 1022}
(( segid "UBI " and resid 2 and name HB1 ))
(( segid "UBI " and resid 2 and name HA ))
2.900 1.100 1.100 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.15250E-02 ppm1 5.235 ppm2 1.791 CV 1
ASSI { 1023}
(( segid "UBI " and resid 2 and name HB2 ))
(( segid "UBI " and resid 2 and name HA ))
3.000 1.100 1.100 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.19792E-02 ppm1 5.237 ppm2 1.566 CV 1
ASSI { 1024}
( segid "UBI " and resid 14 and name HG2%)
(( segid "UBI " and resid 2 and name HA ))
4.300 2.300 1.700 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.21295E-03 ppm1 5.233 ppm2 1.076 CV 1
ASSI { 1025}
( segid "UBI " and resid 17 and name HG2%)
(( segid "UBI " and resid 2 and name HA ))
4.000 2.000 2.000 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.37742E-03 ppm1 5.242 ppm2 0.416 CV 1
ASSI { 1026}
(( segid "UBI " and resid 73 and name HA ))
(( segid "UBI " and resid 73 and name HG ))
3.400 1.500 1.500 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.84073E-03 ppm1 1.433 ppm2 4.268 CV 1
ASSI { 1027}
(( segid "UBI " and resid 36 and name HA ))
(( segid "UBI " and resid 36 and name HG11))
3.600 1.600 1.600 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.64131E-03 ppm1 1.356 ppm2 4.393 CV 1
ASSI { 1029}
(( segid "UBI " and resid 29 and name HA ))
( segid "UBI " and resid 15 and name HD2%)
4.600 2.700 1.400 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.22216E-03 ppm1 0.673 ppm2 4.180 CV 1
ASSI { 1030}
(( segid "UBI " and resid 26 and name HA ))
( segid "UBI " and resid 15 and name HD2%)
4.000 2.000 2.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.40504E-03 ppm1 0.674 ppm2 3.329 CV 1
ASSI { 1031}
(( segid "UBI " and resid 29 and name HB1 ))
( segid "UBI " and resid 15 and name HD2%)
3.300 1.400 1.400 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.76099E-03 ppm1 0.672 ppm2 2.082 CV 1
ASSI { 1032}
(( segid "UBI " and resid 30 and name HG11))
( segid "UBI " and resid 15 and name HD2%)
3.200 1.200 1.200 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.13900E-02 ppm1 0.673 ppm2 1.949 CV 1
ASSI { 1033}
(( segid "UBI " and resid 29 and name HB2 ))
( segid "UBI " and resid 15 and name HD2%)
3.200 1.300 1.300 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.13563E-02 ppm1 0.675 ppm2 1.884 CV 1
ASSI { 1034}
(( segid "UBI " and resid 15 and name HG ))
( segid "UBI " and resid 15 and name HD2%)
1.900 0.500 0.500 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.20283E-01 ppm1 0.675 ppm2 1.391 CV 1
ASSI { 1035}
(( segid "UBI " and resid 15 and name HB2 ))
( segid "UBI " and resid 15 and name HD2%)
2.400 0.700 0.700 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.55846E-02 ppm1 0.672 ppm2 1.168 CV 1
ASSI { 1036}
(( segid "UBI " and resid 2 and name HA ))
( segid "UBI " and resid 15 and name HD1%)
4.100 2.100 1.900 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.48789E-03 ppm1 0.735 ppm2 5.228 CV 1
ASSI { 1038}
(( segid "UBI " and resid 73 and name HA ))
( segid "UBI " and resid 73 and name HD2%)
3.200 1.300 1.300 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.11262E-02 ppm1 0.749 ppm2 4.270 CV 1
ASSI { 1039}
(( segid "UBI " and resid 30 and name HA ))
( segid "UBI " and resid 15 and name HD1%)
3.700 1.700 1.700 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.57688E-03 ppm1 0.725 ppm2 3.466 CV 1
ASSI { 1040}
(( segid "UBI " and resid 29 and name HE1 ))
( segid "UBI " and resid 15 and name HD1%)
3.500 1.500 1.500 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.93590E-03 ppm1 0.729 ppm2 3.103 CV 1
ASSI { 1041}
(( segid "UBI " and resid 29 and name HB1 ))
( segid "UBI " and resid 15 and name HD1%)
3.000 1.100 1.100 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.12949E-02 ppm1 0.726 ppm2 2.076 CV 1
ASSI { 1044}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 19 and name HA ))
3.300 1.400 1.400 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.85921E-03 ppm1 3.923 ppm2 1.644 CV 1
ASSI { 1051}
(( segid "UBI " and resid 38 and name HD1 ))
(( segid "UBI " and resid 37 and name HA ))
2.100 0.500 0.500 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.10894E-01 ppm1 4.604 ppm2 3.712 CV 1
OR { 1051}
(( segid "UBI " and resid 38 and name HD2 ))
(( segid "UBI " and resid 37 and name HA ))
ASSI { 1052}
(( segid "UBI " and resid 37 and name HB1 ))
(( segid "UBI " and resid 37 and name HA ))
2.400 0.700 0.700 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.45720E-02 ppm1 4.604 ppm2 2.386 CV 1
ASSI { 1053}
(( segid "UBI " and resid 37 and name HB2 ))
(( segid "UBI " and resid 37 and name HA ))
2.800 1.000 1.000 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.34674E-02 ppm1 4.605 ppm2 1.940 CV 1
ASSI { 1054}
(( segid "UBI " and resid 37 and name HG2 ))
(( segid "UBI " and resid 37 and name HA ))
3.100 1.200 1.200 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.18564E-02 ppm1 4.605 ppm2 2.020 CV 1
OR { 1054}
(( segid "UBI " and resid 37 and name HG1 ))
(( segid "UBI " and resid 37 and name HA ))
ASSI { 1055}
(( segid "UBI " and resid 38 and name HG2 ))
(( segid "UBI " and resid 37 and name HA ))
5.400 3.600 0.600 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.23750E-03 ppm1 4.602 ppm2 1.594 CV 1
ASSI { 1057}
(( segid "UBI " and resid 38 and name HG2 ))
(( segid "UBI " and resid 28 and name HA ))
4.100 2.100 1.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.48175E-03 ppm1 4.189 ppm2 1.587 CV 1
ASSI { 1058}
(( segid "UBI " and resid 31 and name HB2 ))
(( segid "UBI " and resid 28 and name HB1 ))
3.600 1.700 1.700 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.76099E-03 ppm1 4.077 ppm2 1.933 CV 1
OR { 1058}
(( segid "UBI " and resid 31 and name HB2 ))
(( segid "UBI " and resid 28 and name HB2 ))
OR { 1058}
(( segid "UBI " and resid 31 and name HG2 ))
(( segid "UBI " and resid 28 and name HB2 ))
ASSI { 1059}
(( segid "UBI " and resid 38 and name HG2 ))
(( segid "UBI " and resid 28 and name HB1 ))
3.700 1.700 1.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.30378E-03 ppm1 4.080 ppm2 1.610 CV 1
OR { 1059}
(( segid "UBI " and resid 38 and name HG2 ))
(( segid "UBI " and resid 28 and name HB2 ))
ASSI { 1063}
(( segid "UBI " and resid 30 and name HG11))
( segid "UBI " and resid 30 and name HD1%)
2.200 0.600 0.600 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.85608E-02 ppm1 0.838 ppm2 1.948 CV 1
ASSI { 1067}
(( segid "UBI " and resid 36 and name HG12))
(( segid "UBI " and resid 36 and name HA ))
2.700 0.900 0.900 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.22615E-02 ppm1 4.398 ppm2 1.063 CV 1
ASSI { 1068}
(( segid "UBI " and resid 37 and name HG2 ))
(( segid "UBI " and resid 36 and name HA ))
4.500 2.500 1.500 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.56767E-03 ppm1 4.400 ppm2 2.042 CV 1
OR { 1068}
(( segid "UBI " and resid 37 and name HG1 ))
(( segid "UBI " and resid 36 and name HA ))
ASSI { 1069}
(( segid "UBI " and resid 36 and name HA ))
(( segid "UBI " and resid 36 and name HB ))
3.700 1.700 1.700 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.45107E-03 ppm1 1.406 ppm2 4.382 CV 1
ASSI { 1071}
(( segid "UBI " and resid 36 and name HG12))
(( segid "UBI " and resid 36 and name HB ))
3.100 1.200 1.200 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.20436E-02 ppm1 1.412 ppm2 1.074 CV 1
ASSI { 1072}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 36 and name HB ))
2.200 0.600 0.600 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.80086E-02 ppm1 1.412 ppm2 0.903 CV 1
ASSI { 1073}
( segid "UBI " and resid 36 and name HD1%)
(( segid "UBI " and resid 36 and name HB ))
2.800 1.000 1.000 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.23842E-02 ppm1 1.412 ppm2 0.761 CV 1
ASSI { 1075}
(( segid "UBI " and resid 36 and name HA ))
( segid "UBI " and resid 36 and name HD1%)
4.300 2.300 1.700 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.48789E-03 ppm1 0.761 ppm2 4.395 CV 1
ASSI { 1076}
(( segid "UBI " and resid 68 and name HB2 ))
( segid "UBI " and resid 44 and name HD1%)
3.900 1.900 1.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.44186E-03 ppm1 0.758 ppm2 2.901 CV 1
ASSI { 1080}
(( segid "UBI " and resid 36 and name HB ))
( segid "UBI " and resid 36 and name HG2%)
2.300 0.700 0.700 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.70575E-02 ppm1 0.905 ppm2 1.398 CV 1
OR { 1080}
(( segid "UBI " and resid 36 and name HG11))
( segid "UBI " and resid 36 and name HG2%)
ASSI { 1084}
(( segid "UBI " and resid 41 and name HG1 ))
( segid "UBI " and resid 36 and name HG2%)
2.300 0.700 0.700 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.53085E-02 ppm1 0.905 ppm2 2.506 CV 1
ASSI { 1085}
(( segid "UBI " and resid 37 and name HD2 ))
( segid "UBI " and resid 36 and name HG2%)
2.700 0.900 0.900 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.17982E-02 ppm1 0.904 ppm2 3.537 CV 1
ASSI { 1086}
(( segid "UBI " and resid 37 and name HD1 ))
( segid "UBI " and resid 36 and name HG2%)
3.800 1.800 1.800 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.12642E-02 ppm1 0.904 ppm2 4.132 CV 1
ASSI { 1090}
(( segid "UBI " and resid 36 and name HA ))
(( segid "UBI " and resid 37 and name HD1 ))
2.200 0.600 0.600 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.74871E-02 ppm1 4.150 ppm2 4.395 CV 1
ASSI { 1091}
(( segid "UBI " and resid 36 and name HA ))
(( segid "UBI " and resid 37 and name HD2 ))
2.400 0.700 0.700 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.49403E-02 ppm1 3.548 ppm2 4.392 CV 1
ASSI { 1092}
(( segid "UBI " and resid 37 and name HD1 ))
(( segid "UBI " and resid 37 and name HD2 ))
1.800 0.400 0.400 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.18902E-01 ppm1 3.547 ppm2 4.142 CV 1
ASSI { 1094}
(( segid "UBI " and resid 37 and name HB1 ))
(( segid "UBI " and resid 37 and name HD1 ))
3.700 1.700 1.700 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.72416E-03 ppm1 4.144 ppm2 2.380 CV 1
ASSI { 1096}
(( segid "UBI " and resid 37 and name HG1 ))
(( segid "UBI " and resid 37 and name HD2 ))
2.400 0.700 0.700 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.45720E-02 ppm1 3.548 ppm2 2.051 CV 1
OR { 1096}
(( segid "UBI " and resid 37 and name HG2 ))
(( segid "UBI " and resid 37 and name HD2 ))
ASSI { 1097}
(( segid "UBI " and resid 37 and name HG2 ))
(( segid "UBI " and resid 37 and name HD1 ))
2.500 0.800 0.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.48175E-02 ppm1 4.150 ppm2 2.038 CV 1
OR { 1097}
(( segid "UBI " and resid 37 and name HG1 ))
(( segid "UBI " and resid 37 and name HD1 ))
ASSI { 1098}
(( segid "UBI " and resid 40 and name HB2 ))
(( segid "UBI " and resid 37 and name HD2 ))
3.500 1.500 1.500 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.96966E-03 ppm1 3.557 ppm2 1.791 CV 1
ASSI { 1110}
(( segid "UBI " and resid 41 and name HG1 ))
(( segid "UBI " and resid 38 and name HA ))
2.800 1.000 1.000 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.22001E-02 ppm1 4.085 ppm2 2.510 CV 1
ASSI { 1111}
(( segid "UBI " and resid 38 and name HB1 ))
(( segid "UBI " and resid 38 and name HA ))
2.300 0.600 0.600 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.57074E-02 ppm1 4.083 ppm2 2.220 CV 1
ASSI { 1114}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 38 and name HA ))
3.300 1.300 1.300 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.23873E-02 ppm1 4.084 ppm2 1.411 CV 1
OR { 1114}
(( segid "UBI " and resid 27 and name HG2 ))
(( segid "UBI " and resid 38 and name HA ))
ASSI { 1115}
(( segid "UBI " and resid 38 and name HA ))
(( segid "UBI " and resid 38 and name HB2 ))
3.000 1.200 1.200 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.22523E-02 ppm1 2.006 ppm2 4.072 CV 1
ASSI { 1116}
(( segid "UBI " and resid 63 and name HA ))
(( segid "UBI " and resid 63 and name HB1 ))
2.500 0.800 0.800 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.41425E-02 ppm1 1.999 ppm2 3.935 CV 1
ASSI { 1117}
(( segid "UBI " and resid 38 and name HD2 ))
(( segid "UBI " and resid 38 and name HB2 ))
3.000 1.100 1.100 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.18564E-02 ppm1 2.008 ppm2 3.717 CV 1
OR { 1117}
(( segid "UBI " and resid 38 and name HD1 ))
(( segid "UBI " and resid 38 and name HB2 ))
ASSI { 1118}
(( segid "UBI " and resid 38 and name HD2 ))
(( segid "UBI " and resid 38 and name HB1 ))
4.500 2.500 1.500 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.32526E-03 ppm1 2.221 ppm2 3.711 CV 1
OR { 1118}
(( segid "UBI " and resid 38 and name HD1 ))
(( segid "UBI " and resid 38 and name HB1 ))
ASSI { 1119}
(( segid "UBI " and resid 38 and name HB1 ))
(( segid "UBI " and resid 38 and name HB2 ))
1.600 0.300 0.600 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.38049E-01 ppm1 2.007 ppm2 2.213 CV 1
ASSI { 1120}
(( segid "UBI " and resid 1 and name HG1 ))
(( segid "UBI " and resid 1 and name HB2 ))
2.600 0.800 0.800 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.29703E-02 ppm1 2.008 ppm2 2.447 CV 1
ASSI { 1121}
(( segid "UBI " and resid 63 and name HB2 ))
(( segid "UBI " and resid 63 and name HB1 ))
1.600 0.300 0.600 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.43880E-01 ppm1 1.996 ppm2 1.850 CV 1
ASSI { 1126}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 38 and name HD1 ))
3.800 1.800 1.800 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.63211E-03 ppm1 3.717 ppm2 2.488 CV 1
OR { 1126}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 38 and name HD2 ))
ASSI { 1127}
(( segid "UBI " and resid 37 and name HB1 ))
(( segid "UBI " and resid 38 and name HD2 ))
3.200 1.300 1.300 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.18656E-02 ppm1 3.717 ppm2 2.385 CV 1
OR { 1127}
(( segid "UBI " and resid 37 and name HB1 ))
(( segid "UBI " and resid 38 and name HD1 ))
ASSI { 1128}
(( segid "UBI " and resid 38 and name HG1 ))
(( segid "UBI " and resid 38 and name HD1 ))
2.400 0.700 0.700 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.57074E-02 ppm1 3.718 ppm2 2.151 CV 1
OR { 1128}
(( segid "UBI " and resid 38 and name HG1 ))
(( segid "UBI " and resid 38 and name HD2 ))
ASSI { 1131}
(( segid "UBI " and resid 38 and name HA ))
(( segid "UBI " and resid 38 and name HD1 ))
3.400 1.500 1.500 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.87762E-03 ppm1 3.723 ppm2 4.086 CV 1
OR { 1131}
(( segid "UBI " and resid 38 and name HA ))
(( segid "UBI " and resid 38 and name HD2 ))
ASSI { 1133}
(( segid "UBI " and resid 38 and name HA ))
(( segid "UBI " and resid 38 and name HG1 ))
3.900 1.900 1.900 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.37742E-03 ppm1 2.157 ppm2 4.081 CV 1
ASSI { 1135}
(( segid "UBI " and resid 38 and name HB2 ))
(( segid "UBI " and resid 38 and name HG1 ))
2.500 0.800 0.800 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.94201E-02 ppm1 2.156 ppm2 2.005 CV 1
ASSI { 1136}
(( segid "UBI " and resid 38 and name HG2 ))
(( segid "UBI " and resid 38 and name HG1 ))
1.900 0.400 0.400 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.14299E-01 ppm1 2.157 ppm2 1.600 CV 1
ASSI { 1137}
(( segid "UBI " and resid 31 and name HB1 ))
(( segid "UBI " and resid 38 and name HG1 ))
3.000 1.100 1.100 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.19117E-02 ppm1 2.152 ppm2 2.500 CV 1
ASSI { 1139}
(( segid "UBI " and resid 44 and name HB ))
(( segid "UBI " and resid 44 and name HG12))
3.100 1.200 1.200 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.15956E-02 ppm1 1.146 ppm2 1.795 CV 1
ASSI { 1142}
(( segid "UBI " and resid 49 and name HG1 ))
(( segid "UBI " and resid 49 and name HA ))
2.800 1.000 1.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.26358E-02 ppm1 4.601 ppm2 2.233 CV 1
OR { 1142}
(( segid "UBI " and resid 49 and name HG2 ))
(( segid "UBI " and resid 49 and name HA ))
ASSI { 1143}
(( segid "UBI " and resid 49 and name HB1 ))
(( segid "UBI " and resid 49 and name HA ))
2.500 0.800 0.800 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.41425E-02 ppm1 4.601 ppm2 1.999 CV 1
OR { 1143}
(( segid "UBI " and resid 49 and name HB2 ))
(( segid "UBI " and resid 49 and name HA ))
ASSI { 1144}
(( segid "UBI " and resid 44 and name HG11))
(( segid "UBI " and resid 49 and name HA ))
3.400 1.400 1.400 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.10801E-02 ppm1 4.600 ppm2 1.423 CV 1
ASSI { 1145}
(( segid "UBI " and resid 44 and name HG12))
(( segid "UBI " and resid 49 and name HA ))
3.400 1.500 1.500 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.67814E-03 ppm1 4.597 ppm2 1.145 CV 1
ASSI { 1152}
(( segid "UBI " and resid 61 and name HB ))
(( segid "UBI " and resid 61 and name HG11))
2.300 0.700 0.700 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.57688E-02 ppm1 1.089 ppm2 1.358 CV 1
ASSI { 1157}
(( segid "UBI " and resid 61 and name HG12))
(( segid "UBI " and resid 61 and name HG11))
1.900 0.400 0.400 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.13287E-01 ppm1 1.087 ppm2 -0.278 CV 1
ASSI { 1164}
( segid "UBI " and resid 1 and name HE% )
( segid "UBI " and resid 61 and name HG2%)
3.200 1.300 1.300 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.10862E-02 ppm1 0.439 ppm2 1.642 CV 1
ASSI { 1166}
(( segid "UBI " and resid 56 and name HB2 ))
( segid "UBI " and resid 61 and name HG2%)
4.100 2.100 1.900 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.79169E-03 ppm1 0.443 ppm2 1.235 CV 1
ASSI { 1168}
(( segid "UBI " and resid 61 and name HG11))
( segid "UBI " and resid 61 and name HG2%)
3.700 1.700 1.700 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.99418E-03 ppm1 0.443 ppm2 1.080 CV 1
ASSI { 1169}
(( segid "UBI " and resid 61 and name HG12))
( segid "UBI " and resid 61 and name HG2%)
2.900 1.100 1.100 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.16570E-02 ppm1 0.443 ppm2 -0.272 CV 1
ASSI { 1170}
(( segid "UBI " and resid 62 and name HB1 ))
(( segid "UBI " and resid 62 and name HA ))
2.400 0.700 0.700 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.49710E-02 ppm1 4.454 ppm2 2.210 CV 1
ASSI { 1171}
(( segid "UBI " and resid 62 and name HB2 ))
(( segid "UBI " and resid 62 and name HA ))
3.100 1.200 1.200 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.16631E-02 ppm1 4.456 ppm2 1.854 CV 1
ASSI { 1172}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 62 and name HA ))
3.700 1.700 1.700 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.48482E-03 ppm1 4.457 ppm2 1.644 CV 1
ASSI { 1173}
(( segid "UBI " and resid 62 and name HG2 ))
(( segid "UBI " and resid 62 and name HA ))
3.100 1.200 1.200 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.14422E-02 ppm1 4.454 ppm2 2.297 CV 1
ASSI { 1176}
(( segid "UBI " and resid 27 and name HE2 ))
(( segid "UBI " and resid 41 and name HB2 ))
3.200 1.300 1.300 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.95431E-03 ppm1 1.857 ppm2 2.627 CV 1
OR { 1176}
(( segid "UBI " and resid 27 and name HE1 ))
(( segid "UBI " and resid 41 and name HB2 ))
ASSI { 1178}
(( segid "UBI " and resid 41 and name HG1 ))
(( segid "UBI " and resid 41 and name HB2 ))
3.200 1.300 1.300 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.65359E-03 ppm1 1.865 ppm2 2.515 CV 1
ASSI { 1180}
(( segid "UBI " and resid 62 and name HA ))
(( segid "UBI " and resid 62 and name HG1 ))
3.700 1.700 1.700 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.62291E-03 ppm1 2.331 ppm2 4.446 CV 1
ASSI { 1181}
(( segid "UBI " and resid 62 and name HB2 ))
(( segid "UBI " and resid 62 and name HG1 ))
2.700 0.900 0.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.23014E-02 ppm1 2.339 ppm2 1.867 CV 1
ASSI { 1183}
(( segid "UBI " and resid 1 and name HG1 ))
(( segid "UBI " and resid 63 and name HA ))
3.900 1.900 1.900 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.30593E-03 ppm1 3.939 ppm2 2.457 CV 1
ASSI { 1184}
(( segid "UBI " and resid 1 and name HB1 ))
(( segid "UBI " and resid 63 and name HA ))
3.900 1.900 1.900 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.66586E-03 ppm1 3.939 ppm2 2.161 CV 1
ASSI { 1186}
(( segid "UBI " and resid 63 and name HB2 ))
(( segid "UBI " and resid 63 and name HA ))
2.700 0.900 0.900 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.38356E-02 ppm1 3.942 ppm2 1.852 CV 1
ASSI { 1188}
( segid "UBI " and resid 1 and name HE% )
(( segid "UBI " and resid 63 and name HA ))
3.400 1.500 1.500 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.76710E-03 ppm1 3.942 ppm2 1.649 CV 1
ASSI { 1190}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 63 and name HA ))
3.400 1.400 1.400 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.83462E-03 ppm1 3.941 ppm2 0.571 CV 1
ASSI { 1197}
(( segid "UBI " and resid 63 and name HG1 ))
(( segid "UBI " and resid 63 and name HE2 ))
2.700 0.900 0.900 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.36208E-02 ppm1 3.003 ppm2 1.455 CV 1
OR { 1197}
(( segid "UBI " and resid 63 and name HG2 ))
(( segid "UBI " and resid 63 and name HE2 ))
OR { 1197}
(( segid "UBI " and resid 63 and name HG1 ))
(( segid "UBI " and resid 63 and name HE1 ))
OR { 1197}
(( segid "UBI " and resid 63 and name HG2 ))
(( segid "UBI " and resid 63 and name HE1 ))
ASSI { 1199}
(( segid "UBI " and resid 63 and name HB2 ))
(( segid "UBI " and resid 63 and name HE2 ))
3.700 1.700 1.700 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.64131E-03 ppm1 2.996 ppm2 1.837 CV 1
OR { 1199}
(( segid "UBI " and resid 63 and name HB2 ))
(( segid "UBI " and resid 63 and name HE1 ))
ASSI { 1201}
(( segid "UBI " and resid 63 and name HA ))
(( segid "UBI " and resid 63 and name HG2 ))
3.400 1.400 1.400 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.84073E-03 ppm1 1.463 ppm2 3.932 CV 1
OR { 1201}
(( segid "UBI " and resid 63 and name HA ))
(( segid "UBI " and resid 63 and name HG1 ))
ASSI { 1205}
(( segid "UBI " and resid 3 and name HA ))
(( segid "UBI " and resid 64 and name HA ))
3.100 1.200 1.200 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.12673E-02 ppm1 3.299 ppm2 4.107 CV 1
ASSI { 1206}
(( segid "UBI " and resid 64 and name HB1 ))
(( segid "UBI " and resid 64 and name HA ))
2.600 0.900 0.900 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.27279E-02 ppm1 3.301 ppm2 2.479 CV 1
ASSI { 1207}
(( segid "UBI " and resid 64 and name HB2 ))
(( segid "UBI " and resid 64 and name HA ))
3.400 1.400 1.400 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.11936E-02 ppm1 3.299 ppm2 2.360 CV 1
ASSI { 1208}
(( segid "UBI " and resid 64 and name HG1 ))
(( segid "UBI " and resid 64 and name HA ))
2.700 0.900 0.900 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.37742E-02 ppm1 3.297 ppm2 2.192 CV 1
OR { 1208}
(( segid "UBI " and resid 64 and name HG2 ))
(( segid "UBI " and resid 64 and name HA ))
ASSI { 1209}
( segid "UBI " and resid 4 and name HE% )
(( segid "UBI " and resid 64 and name HA ))
3.300 1.400 1.400 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.84997E-03 ppm1 3.300 ppm2 -0.810 CV 1
ASSI { 1210}
( segid "UBI " and resid 4 and name HD% )
(( segid "UBI " and resid 64 and name HA ))
3.900 1.900 1.900 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.34367E-03 ppm1 3.304 ppm2 -0.982 CV 1
ASSI { 1214}
(( segid "UBI " and resid 64 and name HG1 ))
(( segid "UBI " and resid 64 and name HB1 ))
2.400 0.700 0.700 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.77634E-02 ppm1 2.485 ppm2 2.198 CV 1
OR { 1214}
(( segid "UBI " and resid 64 and name HG2 ))
(( segid "UBI " and resid 64 and name HB1 ))
ASSI { 1215}
(( segid "UBI " and resid 64 and name HB2 ))
(( segid "UBI " and resid 64 and name HB1 ))
1.800 0.400 0.400 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.22461E-01 ppm1 2.485 ppm2 2.355 CV 1
ASSI { 1217}
( segid "UBI " and resid 4 and name HE% )
(( segid "UBI " and resid 64 and name HB1 ))
3.500 1.500 1.500 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.57994E-03 ppm1 2.490 ppm2 -0.807 CV 1
ASSI { 1220}
(( segid "UBI " and resid 64 and name HB2 ))
(( segid "UBI " and resid 64 and name HG2 ))
2.100 0.500 0.500 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.15404E-01 ppm1 2.198 ppm2 2.348 CV 1
OR { 1220}
(( segid "UBI " and resid 64 and name HB2 ))
(( segid "UBI " and resid 64 and name HG1 ))
ASSI { 1222}
(( segid "UBI " and resid 63 and name HG1 ))
(( segid "UBI " and resid 64 and name HG2 ))
3.100 1.200 1.200 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.15618E-02 ppm1 2.200 ppm2 1.455 CV 1
OR { 1222}
(( segid "UBI " and resid 63 and name HG1 ))
(( segid "UBI " and resid 64 and name HG1 ))
OR { 1222}
(( segid "UBI " and resid 63 and name HG2 ))
(( segid "UBI " and resid 64 and name HG2 ))
OR { 1222}
(( segid "UBI " and resid 63 and name HG2 ))
(( segid "UBI " and resid 64 and name HG1 ))
ASSI { 1223}
( segid "UBI " and resid 4 and name HE% )
(( segid "UBI " and resid 64 and name HG1 ))
3.400 1.500 1.500 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.11691E-02 ppm1 2.200 ppm2 -0.805 CV 1
OR { 1223}
( segid "UBI " and resid 4 and name HE% )
(( segid "UBI " and resid 64 and name HG2 ))
ASSI { 1224}
(( segid "UBI " and resid 65 and name HB1 ))
(( segid "UBI " and resid 65 and name HA ))
2.700 0.900 0.900 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.30501E-02 ppm1 4.590 ppm2 3.834 CV 1
ASSI { 1226}
(( segid "UBI " and resid 65 and name HB2 ))
(( segid "UBI " and resid 65 and name HA ))
3.200 1.300 1.300 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.11721E-02 ppm1 4.590 ppm2 3.569 CV 1
ASSI { 1231}
(( segid "UBI " and resid 65 and name HB1 ))
(( segid "UBI " and resid 65 and name HB2 ))
1.900 0.400 0.400 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.15097E-01 ppm1 3.576 ppm2 3.833 CV 1
ASSI { 1235}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 65 and name HB1 ))
3.500 1.500 1.500 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.77328E-03 ppm1 3.837 ppm2 0.580 CV 1
ASSI { 1236}
( segid "UBI " and resid 67 and name HD1%)
(( segid "UBI " and resid 65 and name HB1 ))
3.700 1.700 1.700 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.49096E-03 ppm1 3.839 ppm2 0.637 CV 1
ASSI { 1237}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 65 and name HB2 ))
3.000 1.200 1.200 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.13747E-02 ppm1 3.571 ppm2 0.579 CV 1
ASSI { 1238}
( segid "UBI " and resid 61 and name HG2%)
(( segid "UBI " and resid 65 and name HB1 ))
3.000 1.100 1.100 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.16999E-02 ppm1 3.838 ppm2 0.434 CV 1
ASSI { 1239}
( segid "UBI " and resid 61 and name HG2%)
(( segid "UBI " and resid 65 and name HB2 ))
2.800 1.000 1.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.22953E-02 ppm1 3.575 ppm2 0.437 CV 1
ASSI { 1240}
( segid "UBI " and resid 45 and name HE% )
(( segid "UBI " and resid 65 and name HB1 ))
3.100 1.200 1.200 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.12550E-02 ppm1 3.842 ppm2 -0.510 CV 1
ASSI { 1243}
(( segid "UBI " and resid 4 and name HB1 ))
(( segid "UBI " and resid 66 and name HA ))
3.300 1.400 1.400 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.35594E-02 ppm1 5.176 ppm2 2.972 CV 1
ASSI { 1245}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 66 and name HA ))
2.600 0.800 0.800 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.37742E-02 ppm1 5.175 ppm2 0.813 CV 1
ASSI { 1246}
(( segid "UBI " and resid 66 and name HA ))
(( segid "UBI " and resid 66 and name HB ))
3.200 1.300 1.300 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.10678E-02 ppm1 3.976 ppm2 5.168 CV 1
ASSI { 1247}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 66 and name HB ))
2.300 0.700 0.700 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.68734E-02 ppm1 3.973 ppm2 0.813 CV 1
ASSI { 1252}
(( segid "UBI " and resid 4 and name HB1 ))
( segid "UBI " and resid 66 and name HG2%)
3.500 1.500 1.500 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.10463E-02 ppm1 0.819 ppm2 2.975 CV 1
ASSI { 1256}
(( segid "UBI " and resid 6 and name HB2 ))
( segid "UBI " and resid 66 and name HG2%)
2.800 1.000 1.000 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.22769E-02 ppm1 0.819 ppm2 1.384 CV 1
ASSI { 1257}
(( segid "UBI " and resid 6 and name HG2 ))
( segid "UBI " and resid 66 and name HG2%)
3.100 1.200 1.200 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.27095E-02 ppm1 0.819 ppm2 1.221 CV 1
ASSI { 1259}
(( segid "UBI " and resid 67 and name HG ))
(( segid "UBI " and resid 67 and name HA ))
2.800 1.000 1.000 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.22830E-02 ppm1 4.980 ppm2 1.702 CV 1
ASSI { 1260}
(( segid "UBI " and resid 67 and name HB2 ))
(( segid "UBI " and resid 67 and name HA ))
2.300 0.700 0.700 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.68427E-02 ppm1 4.978 ppm2 1.551 CV 1
OR { 1260}
(( segid "UBI " and resid 67 and name HB1 ))
(( segid "UBI " and resid 67 and name HA ))
ASSI { 1262}
( segid "UBI " and resid 45 and name HD% )
(( segid "UBI " and resid 67 and name HA ))
3.500 1.500 1.500 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.59222E-03 ppm1 4.979 ppm2 -0.685 CV 1
ASSI { 1266}
(( segid "UBI " and resid 67 and name HG ))
(( segid "UBI " and resid 67 and name HB2 ))
2.000 0.500 0.500 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.18472E-01 ppm1 1.559 ppm2 1.696 CV 1
OR { 1266}
(( segid "UBI " and resid 67 and name HG ))
(( segid "UBI " and resid 67 and name HB1 ))
ASSI { 1268}
( segid "UBI " and resid 67 and name HD2%)
(( segid "UBI " and resid 67 and name HB2 ))
2.100 0.500 0.500 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.14330E-01 ppm1 1.566 ppm2 0.631 CV 1
OR { 1268}
( segid "UBI " and resid 67 and name HD2%)
(( segid "UBI " and resid 67 and name HB1 ))
OR { 1268}
( segid "UBI " and resid 67 and name HD1%)
(( segid "UBI " and resid 67 and name HB2 ))
ASSI { 1270}
(( segid "UBI " and resid 67 and name HA ))
( segid "UBI " and resid 67 and name HD1%)
3.200 1.300 1.300 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.12888E-02 ppm1 0.610 ppm2 4.970 CV 1
OR { 1270}
(( segid "UBI " and resid 67 and name HA ))
( segid "UBI " and resid 67 and name HD2%)
ASSI { 1273}
(( segid "UBI " and resid 45 and name HB2 ))
( segid "UBI " and resid 67 and name HD2%)
3.800 1.900 1.900 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.35902E-03 ppm1 0.609 ppm2 2.784 CV 1
OR { 1273}
(( segid "UBI " and resid 45 and name HB2 ))
( segid "UBI " and resid 67 and name HD1%)
ASSI { 1274}
(( segid "UBI " and resid 67 and name HG ))
( segid "UBI " and resid 67 and name HD1%)
2.400 0.700 0.700 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.53698E-02 ppm1 0.611 ppm2 1.692 CV 1
OR { 1274}
(( segid "UBI " and resid 67 and name HG ))
( segid "UBI " and resid 67 and name HD2%)
ASSI { 1275}
(( segid "UBI " and resid 67 and name HB2 ))
( segid "UBI " and resid 67 and name HD2%)
2.400 0.700 0.700 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.64131E-02 ppm1 0.608 ppm2 1.554 CV 1
OR { 1275}
(( segid "UBI " and resid 67 and name HB1 ))
( segid "UBI " and resid 67 and name HD1%)
OR { 1275}
(( segid "UBI " and resid 67 and name HB1 ))
( segid "UBI " and resid 67 and name HD2%)
OR { 1275}
(( segid "UBI " and resid 67 and name HB2 ))
( segid "UBI " and resid 67 and name HD1%)
ASSI { 1276}
(( segid "UBI " and resid 43 and name HB2 ))
( segid "UBI " and resid 67 and name HD2%)
3.300 1.400 1.400 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.21449E-02 ppm1 0.611 ppm2 1.125 CV 1
ASSI { 1278}
( segid "UBI " and resid 50 and name HD2%)
( segid "UBI " and resid 67 and name HD2%)
4.300 2.300 1.700 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.24579E-03 ppm1 0.612 ppm2 -0.160 CV 1
ASSI { 1279}
( segid "UBI " and resid 45 and name HD% )
( segid "UBI " and resid 67 and name HD1%)
3.600 1.600 1.600 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.61063E-03 ppm1 0.611 ppm2 -0.677 CV 1
OR { 1279}
( segid "UBI " and resid 45 and name HD% )
( segid "UBI " and resid 67 and name HD2%)
ASSI { 1280}
(( segid "UBI " and resid 68 and name HB2 ))
(( segid "UBI " and resid 68 and name HA ))
2.800 1.000 1.000 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.38663E-02 ppm1 5.001 ppm2 2.906 CV 1
ASSI { 1281}
(( segid "UBI " and resid 6 and name HB1 ))
(( segid "UBI " and resid 68 and name HA ))
3.800 1.800 1.800 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.34980E-03 ppm1 5.002 ppm2 1.695 CV 1
ASSI { 1282}
(( segid "UBI " and resid 6 and name HB2 ))
(( segid "UBI " and resid 68 and name HA ))
4.000 2.000 2.000 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.47562E-03 ppm1 5.003 ppm2 1.384 CV 1
OR { 1282}
(( segid "UBI " and resid 6 and name HG1 ))
(( segid "UBI " and resid 68 and name HA ))
ASSI { 1283}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 68 and name HA ))
4.100 2.100 1.900 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.31605E-03 ppm1 5.008 ppm2 0.649 CV 1
OR { 1283}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 68 and name HA ))
ASSI { 1284}
(( segid "UBI " and resid 68 and name HA ))
(( segid "UBI " and resid 68 and name HB1 ))
2.700 0.900 0.900 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.31299E-02 ppm1 2.916 ppm2 4.995 CV 1
OR { 1284}
(( segid "UBI " and resid 68 and name HA ))
(( segid "UBI " and resid 68 and name HB2 ))
ASSI { 1288}
( segid "UBI " and resid 70 and name HG2%)
(( segid "UBI " and resid 68 and name HB1 ))
3.500 1.500 1.500 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.64745E-03 ppm1 2.917 ppm2 0.619 CV 1
OR { 1288}
( segid "UBI " and resid 70 and name HG2%)
(( segid "UBI " and resid 68 and name HB2 ))
ASSI { 1289}
( segid "UBI " and resid 44 and name HG2%)
(( segid "UBI " and resid 68 and name HB2 ))
4.100 2.100 1.900 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.44493E-03 ppm1 2.916 ppm2 0.828 CV 1
OR { 1289}
( segid "UBI " and resid 44 and name HG2%)
(( segid "UBI " and resid 68 and name HB1 ))
ASSI { 1290}
(( segid "UBI " and resid 43 and name HA ))
(( segid "UBI " and resid 69 and name HA ))
2.800 1.000 1.000 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.20589E-02 ppm1 5.035 ppm2 5.349 CV 1
ASSI { 1292}
(( segid "UBI " and resid 69 and name HG ))
(( segid "UBI " and resid 69 and name HA ))
3.500 1.500 1.500 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.73030E-03 ppm1 5.027 ppm2 1.291 CV 1
ASSI { 1293}
(( segid "UBI " and resid 69 and name HB2 ))
(( segid "UBI " and resid 69 and name HA ))
2.600 0.800 0.800 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.29825E-02 ppm1 5.029 ppm2 1.019 CV 1
ASSI { 1294}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 69 and name HA ))
2.300 0.600 0.600 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.70882E-02 ppm1 5.031 ppm2 0.785 CV 1
ASSI { 1297}
(( segid "UBI " and resid 8 and name HG ))
( segid "UBI " and resid 8 and name HD1%)
2.300 0.600 0.600 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.82232E-02 ppm1 0.890 ppm2 1.690 CV 1
OR { 1297}
(( segid "UBI " and resid 8 and name HG ))
( segid "UBI " and resid 8 and name HD2%)
OR { 1297}
(( segid "UBI " and resid 8 and name HB2 ))
( segid "UBI " and resid 8 and name HD1%)
ASSI { 1299}
(( segid "UBI " and resid 15 and name HB1 ))
(( segid "UBI " and resid 3 and name HG12))
2.600 0.800 0.800 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.39277E-02 ppm1 0.814 ppm2 1.315 CV 1
ASSI { 1302}
(( segid "UBI " and resid 70 and name HB ))
(( segid "UBI " and resid 70 and name HA ))
2.900 1.000 1.000 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.22769E-02 ppm1 4.232 ppm2 1.855 CV 1
ASSI { 1304}
( segid "UBI " and resid 8 and name HD1%)
(( segid "UBI " and resid 70 and name HA ))
3.400 1.500 1.500 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.68121E-03 ppm1 4.237 ppm2 0.913 CV 1
ASSI { 1306}
( segid "UBI " and resid 70 and name HG1%)
(( segid "UBI " and resid 70 and name HA ))
2.400 0.700 0.700 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.64131E-02 ppm1 4.233 ppm2 0.631 CV 1
OR { 1306}
( segid "UBI " and resid 70 and name HG2%)
(( segid "UBI " and resid 70 and name HA ))
ASSI { 1307}
(( segid "UBI " and resid 48 and name HE2 ))
(( segid "UBI " and resid 48 and name HB2 ))
4.600 2.600 1.400 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.23228E-03 ppm1 1.878 ppm2 3.137 CV 1
OR { 1307}
(( segid "UBI " and resid 48 and name HE1 ))
(( segid "UBI " and resid 48 and name HB1 ))
OR { 1307}
(( segid "UBI " and resid 48 and name HE1 ))
(( segid "UBI " and resid 48 and name HB2 ))
OR { 1307}
(( segid "UBI " and resid 48 and name HE2 ))
(( segid "UBI " and resid 48 and name HB1 ))
ASSI { 1308}
(( segid "UBI " and resid 70 and name HA ))
( segid "UBI " and resid 70 and name HG2%)
3.100 1.200 1.200 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.13624E-02 ppm1 0.612 ppm2 4.225 CV 1
ASSI { 1309}
(( segid "UBI " and resid 17 and name HB ))
( segid "UBI " and resid 26 and name HG2%)
2.900 1.100 1.100 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.16631E-02 ppm1 0.637 ppm2 2.276 CV 1
ASSI { 1310}
(( segid "UBI " and resid 70 and name HB ))
( segid "UBI " and resid 70 and name HG2%)
2.500 0.800 0.800 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.45720E-02 ppm1 0.613 ppm2 1.863 CV 1
ASSI { 1311}
(( segid "UBI " and resid 42 and name HB2 ))
( segid "UBI " and resid 70 and name HG1%)
3.500 1.500 1.500 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.90214E-03 ppm1 0.618 ppm2 1.758 CV 1
OR { 1311}
(( segid "UBI " and resid 42 and name HB1 ))
( segid "UBI " and resid 70 and name HG1%)
OR { 1311}
(( segid "UBI " and resid 42 and name HB1 ))
( segid "UBI " and resid 70 and name HG2%)
OR { 1311}
(( segid "UBI " and resid 42 and name HB2 ))
( segid "UBI " and resid 70 and name HG2%)
ASSI { 1313}
(( segid "UBI " and resid 44 and name HG11))
( segid "UBI " and resid 70 and name HG2%)
3.700 1.700 1.700 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.64438E-03 ppm1 0.612 ppm2 1.406 CV 1
ASSI { 1314}
(( segid "UBI " and resid 41 and name HA ))
(( segid "UBI " and resid 71 and name HA ))
3.600 1.600 1.600 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.45107E-03 ppm1 4.941 ppm2 4.117 CV 1
ASSI { 1315}
(( segid "UBI " and resid 71 and name HB1 ))
(( segid "UBI " and resid 71 and name HA ))
2.500 0.800 0.800 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.41118E-02 ppm1 4.940 ppm2 1.645 CV 1
OR { 1315}
(( segid "UBI " and resid 71 and name HG ))
(( segid "UBI " and resid 71 and name HA ))
ASSI { 1317}
( segid "UBI " and resid 71 and name HD1%)
(( segid "UBI " and resid 71 and name HA ))
3.600 1.600 1.600 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.61676E-03 ppm1 4.937 ppm2 0.939 CV 1
ASSI { 1321}
(( segid "UBI " and resid 70 and name HA ))
( segid "UBI " and resid 71 and name HD1%)
3.800 1.800 1.800 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.54005E-03 ppm1 0.941 ppm2 4.231 CV 1
ASSI { 1323}
(( segid "UBI " and resid 71 and name HA ))
( segid "UBI " and resid 71 and name HD2%)
2.600 0.900 0.900 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.38663E-02 ppm1 0.829 ppm2 4.930 CV 1
ASSI { 1327}
(( segid "UBI " and resid 41 and name HG1 ))
( segid "UBI " and resid 69 and name HD1%)
3.700 1.700 1.700 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.15159E-02 ppm1 0.806 ppm2 2.507 CV 1
ASSI { 1329}
(( segid "UBI " and resid 41 and name HB2 ))
( segid "UBI " and resid 69 and name HD1%)
3.100 1.200 1.200 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.64131E-02 ppm1 0.804 ppm2 1.851 CV 1
ASSI { 1335}
( segid "UBI " and resid 70 and name HG2%)
(( segid "UBI " and resid 8 and name HG ))
2.900 1.000 1.000 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.22001E-02 ppm1 1.657 ppm2 0.579 CV 1
ASSI { 1337}
(( segid "UBI " and resid 72 and name HB1 ))
(( segid "UBI " and resid 72 and name HA ))
2.900 1.000 1.000 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.24456E-02 ppm1 4.208 ppm2 1.725 CV 1
ASSI { 1338}
(( segid "UBI " and resid 72 and name HB2 ))
(( segid "UBI " and resid 72 and name HA ))
2.300 0.700 0.700 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.72109E-02 ppm1 4.207 ppm2 1.516 CV 1
OR { 1338}
(( segid "UBI " and resid 72 and name HG2 ))
(( segid "UBI " and resid 72 and name HA ))
ASSI { 1344}
(( segid "UBI " and resid 72 and name HB1 ))
(( segid "UBI " and resid 72 and name HG2 ))
1.800 1.800 4.200 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.31299E-01 ppm1 1.516 ppm2 1.721 CV 1
ASSI { 1345}
(( segid "UBI " and resid 72 and name HD1 ))
(( segid "UBI " and resid 72 and name HG2 ))
2.300 0.600 0.600 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.76710E-02 ppm1 1.515 ppm2 3.125 CV 1
OR { 1345}
(( segid "UBI " and resid 72 and name HD2 ))
(( segid "UBI " and resid 72 and name HG2 ))
ASSI { 1346}
(( segid "UBI " and resid 72 and name HA ))
(( segid "UBI " and resid 72 and name HG2 ))
2.800 1.000 1.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.27034E-02 ppm1 1.516 ppm2 4.207 CV 1
ASSI { 1347}
(( segid "UBI " and resid 40 and name HA ))
(( segid "UBI " and resid 72 and name HG2 ))
3.400 1.400 1.400 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.97883E-03 ppm1 1.521 ppm2 4.364 CV 1
ASSI { 1349}
(( segid "UBI " and resid 73 and name HB1 ))
(( segid "UBI " and resid 73 and name HA ))
2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.27279E-02 ppm1 4.274 ppm2 1.432 CV 1
OR { 1349}
(( segid "UBI " and resid 73 and name HG ))
(( segid "UBI " and resid 73 and name HA ))
ASSI { 1350}
(( segid "UBI " and resid 73 and name HB2 ))
(( segid "UBI " and resid 73 and name HA ))
3.200 1.300 1.300 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.14391E-02 ppm1 4.273 ppm2 1.267 CV 1
ASSI { 1351}
( segid "UBI " and resid 73 and name HD1%)
(( segid "UBI " and resid 73 and name HA ))
2.900 1.100 1.100 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.25438E-02 ppm1 4.274 ppm2 0.816 CV 1
ASSI { 1354}
( segid "UBI " and resid 9 and name HG2%)
( segid "UBI " and resid 8 and name HD2%)
2.600 0.900 0.900 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.22615E-02 ppm1 0.890 ppm2 1.241 CV 1
OR { 1354}
( segid "UBI " and resid 9 and name HG2%)
( segid "UBI " and resid 8 and name HD1%)
ASSI { 1355}
(( segid "UBI " and resid 74 and name HB1 ))
(( segid "UBI " and resid 74 and name HA ))
2.900 1.100 1.100 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.17675E-02 ppm1 4.323 ppm2 1.830 CV 1
ASSI { 1356}
(( segid "UBI " and resid 74 and name HB2 ))
(( segid "UBI " and resid 74 and name HA ))
3.100 1.200 1.200 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.15926E-02 ppm1 4.323 ppm2 1.757 CV 1
ASSI { 1357}
(( segid "UBI " and resid 74 and name HG2 ))
(( segid "UBI " and resid 74 and name HA ))
3.000 1.100 1.100 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.17061E-02 ppm1 4.323 ppm2 1.587 CV 1
OR { 1357}
(( segid "UBI " and resid 74 and name HG1 ))
(( segid "UBI " and resid 74 and name HA ))
ASSI { 1366}
(( segid "UBI " and resid 1 and name HG1 ))
(( segid "UBI " and resid 1 and name HA ))
4.600 2.600 1.400 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.26235E-03 ppm1 4.198 ppm2 2.459 CV 1
ASSI { 1372}
(( segid "UBI " and resid 1 and name HB2 ))
(( segid "UBI " and resid 1 and name HB1 ))
1.600 0.300 0.600 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.39277E-01 ppm1 2.147 ppm2 2.008 CV 1
ASSI { 1373}
(( segid "UBI " and resid 63 and name HD1 ))
(( segid "UBI " and resid 1 and name HB1 ))
2.400 0.700 0.700 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.61983E-02 ppm1 2.154 ppm2 1.712 CV 1
OR { 1373}
(( segid "UBI " and resid 63 and name HD2 ))
(( segid "UBI " and resid 1 and name HB1 ))
ASSI { 1391}
(( segid "UBI " and resid 23 and name HG12))
( segid "UBI " and resid 23 and name HG2%)
3.000 1.100 1.100 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.28353E-02 ppm1 0.736 ppm2 1.275 CV 1
ASSI { 1393}
(( segid "UBI " and resid 27 and name HG1 ))
( segid "UBI " and resid 23 and name HG2%)
2.800 1.000 1.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.18840E-02 ppm1 0.738 ppm2 1.552 CV 1
ASSI { 1394}
(( segid "UBI " and resid 23 and name HG11))
( segid "UBI " and resid 23 and name HG2%)
2.900 1.100 1.100 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.14852E-02 ppm1 0.740 ppm2 1.789 CV 1
ASSI { 1403}
(( segid "UBI " and resid 33 and name HE1 ))
( segid "UBI " and resid 13 and name HG2%)
4.000 2.000 2.000 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.33447E-03 ppm1 0.831 ppm2 3.095 CV 1
OR { 1403}
(( segid "UBI " and resid 33 and name HE2 ))
( segid "UBI " and resid 13 and name HG2%)
ASSI { 1405}
(( segid "UBI " and resid 2 and name HG1 ))
(( segid "UBI " and resid 2 and name HB1 ))
2.600 0.900 0.900 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.56153E-02 ppm1 1.801 ppm2 2.200 CV 1
ASSI { 1407}
(( segid "UBI " and resid 46 and name HA ))
( segid "UBI " and resid 46 and name HB% )
2.300 0.700 0.700 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.72109E-02 ppm1 0.844 ppm2 3.719 CV 1
ASSI { 1409}
(( segid "UBI " and resid 60 and name HB1 ))
(( segid "UBI " and resid 48 and name HE2 ))
2.100 2.100 3.900 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.15895E-01 ppm1 3.140 ppm2 3.245 CV 1
OR { 1409}
(( segid "UBI " and resid 60 and name HB1 ))
(( segid "UBI " and resid 48 and name HE1 ))
ASSI { 1416}
(( segid "UBI " and resid 30 and name HB ))
(( segid "UBI " and resid 30 and name HA ))
3.200 1.200 1.200 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.12581E-02 ppm1 3.473 ppm2 2.287 CV 1
ASSI { 1427}
(( segid "UBI " and resid 3 and name HG11))
(( segid "UBI " and resid 3 and name HA ))
4.200 2.200 1.800 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.28690E-03 ppm1 4.117 ppm2 1.020 CV 1
ASSI { 1428}
(( segid "UBI " and resid 15 and name HB2 ))
(( segid "UBI " and resid 4 and name HA ))
3.600 1.600 1.600 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.37129E-03 ppm1 5.559 ppm2 1.205 CV 1
ASSI { 1430}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 4 and name HA ))
4.400 2.500 1.600 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.30992E-03 ppm1 5.556 ppm2 0.672 CV 1
OR { 1430}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 4 and name HA ))
ASSI { 1433}
( segid "UBI " and resid 7 and name HG2%)
(( segid "UBI " and resid 6 and name HA ))
4.700 2.700 1.300 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.28445E-03 ppm1 5.209 ppm2 1.108 CV 1
ASSI { 1436}
(( segid "UBI " and resid 69 and name HB2 ))
(( segid "UBI " and resid 7 and name HA ))
4.700 2.700 1.300 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.61983E-03 ppm1 4.886 ppm2 1.021 CV 1
ASSI { 1437}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 7 and name HA ))
4.400 2.400 1.600 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.47255E-03 ppm1 4.886 ppm2 0.805 CV 1
ASSI { 1449}
(( segid "UBI " and resid 24 and name HB1 ))
(( segid "UBI " and resid 52 and name HA ))
4.100 2.100 1.900 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.31605E-03 ppm1 4.266 ppm2 2.576 CV 1
OR { 1449}
(( segid "UBI " and resid 24 and name HB2 ))
(( segid "UBI " and resid 52 and name HA ))
ASSI { 1451}
(( segid "UBI " and resid 6 and name HD2 ))
(( segid "UBI " and resid 12 and name HA ))
4.600 2.600 1.400 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.28414E-03 ppm1 4.994 ppm2 1.512 CV 1
OR { 1451}
(( segid "UBI " and resid 6 and name HD1 ))
(( segid "UBI " and resid 12 and name HA ))
ASSI { 1455}
(( segid "UBI " and resid 16 and name HG2 ))
(( segid "UBI " and resid 16 and name HA ))
3.500 1.600 1.600 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.83156E-03 ppm1 4.850 ppm2 2.029 CV 1
ASSI { 1456}
(( segid "UBI " and resid 16 and name HG1 ))
(( segid "UBI " and resid 16 and name HA ))
3.600 1.600 1.600 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.46641E-03 ppm1 4.857 ppm2 2.182 CV 1
ASSI { 1457}
( segid "UBI " and resid 17 and name HG1%)
(( segid "UBI " and resid 16 and name HA ))
4.400 2.400 1.600 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.22216E-03 ppm1 4.855 ppm2 0.675 CV 1
ASSI { 1458}
( segid "UBI " and resid 17 and name HG2%)
(( segid "UBI " and resid 16 and name HA ))
4.200 2.200 1.800 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.47562E-03 ppm1 4.855 ppm2 0.404 CV 1
ASSI { 1459}
(( segid "UBI " and resid 29 and name HE1 ))
(( segid "UBI " and resid 17 and name HA ))
3.600 1.600 1.600 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.44186E-03 ppm1 4.667 ppm2 3.110 CV 1
ASSI { 1463}
(( segid "UBI " and resid 1 and name HG1 ))
(( segid "UBI " and resid 18 and name HA ))
3.900 1.900 1.900 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.57688E-03 ppm1 4.796 ppm2 2.449 CV 1
ASSI { 1473}
( segid "UBI " and resid 22 and name HG2%)
(( segid "UBI " and resid 21 and name HA ))
4.200 2.200 1.800 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.32219E-03 ppm1 4.677 ppm2 1.226 CV 1
ASSI { 1474}
(( segid "UBI " and resid 23 and name HG11))
(( segid "UBI " and resid 23 and name HA ))
4.200 2.200 1.800 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.31605E-03 ppm1 3.574 ppm2 1.774 CV 1
ASSI { 1475}
(( segid "UBI " and resid 23 and name HG12))
(( segid "UBI " and resid 23 and name HA ))
3.600 1.700 1.700 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.58608E-03 ppm1 3.573 ppm2 1.266 CV 1
ASSI { 1477}
(( segid "UBI " and resid 27 and name HB2 ))
(( segid "UBI " and resid 24 and name HA ))
3.300 1.400 1.400 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.76710E-03 ppm1 4.152 ppm2 1.399 CV 1
ASSI { 1478}
( segid "UBI " and resid 23 and name HG2%)
(( segid "UBI " and resid 24 and name HA ))
3.300 1.400 1.400 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.95125E-03 ppm1 4.152 ppm2 0.737 CV 1
ASSI { 1479}
(( segid "UBI " and resid 51 and name HG1 ))
(( segid "UBI " and resid 51 and name HA ))
3.100 1.200 1.200 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.16785E-02 ppm1 4.419 ppm2 2.390 CV 1
ASSI { 1480}
(( segid "UBI " and resid 51 and name HG2 ))
(( segid "UBI " and resid 51 and name HA ))
2.800 1.000 1.000 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.28721E-02 ppm1 4.418 ppm2 2.320 CV 1
ASSI { 1481}
(( segid "UBI " and resid 51 and name HB1 ))
(( segid "UBI " and resid 51 and name HA ))
2.600 0.900 0.900 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.34060E-02 ppm1 4.419 ppm2 2.182 CV 1
ASSI { 1482}
(( segid "UBI " and resid 51 and name HB2 ))
(( segid "UBI " and resid 51 and name HA ))
3.000 1.100 1.100 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.19945E-02 ppm1 4.420 ppm2 1.945 CV 1
ASSI { 1483}
(( segid "UBI " and resid 29 and name HB2 ))
(( segid "UBI " and resid 26 and name HA ))
3.700 1.700 1.700 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.33140E-03 ppm1 3.329 ppm2 1.881 CV 1
ASSI { 1484}
(( segid "UBI " and resid 27 and name HD1 ))
(( segid "UBI " and resid 27 and name HA ))
3.800 1.800 1.800 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.99724E-03 ppm1 4.560 ppm2 1.680 CV 1
OR { 1484}
(( segid "UBI " and resid 27 and name HD2 ))
(( segid "UBI " and resid 27 and name HA ))
ASSI { 1487}
(( segid "UBI " and resid 33 and name HG1 ))
(( segid "UBI " and resid 30 and name HA ))
3.800 1.800 1.800 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.47868E-03 ppm1 3.478 ppm2 1.562 CV 1
OR { 1487}
(( segid "UBI " and resid 33 and name HG2 ))
(( segid "UBI " and resid 30 and name HA ))
ASSI { 1488}
(( segid "UBI " and resid 36 and name HB ))
(( segid "UBI " and resid 31 and name HA ))
3.700 1.700 1.700 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.62291E-03 ppm1 3.798 ppm2 1.410 CV 1
ASSI { 1489}
( segid "UBI " and resid 30 and name HG2%)
(( segid "UBI " and resid 31 and name HA ))
3.600 1.600 1.600 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.54926E-03 ppm1 3.794 ppm2 0.669 CV 1
ASSI { 1490}
(( segid "UBI " and resid 31 and name HG2 ))
(( segid "UBI " and resid 35 and name HA2 ))
3.600 1.600 1.600 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.44186E-03 ppm1 3.886 ppm2 1.908 CV 1
ASSI { 1493}
(( segid "UBI " and resid 27 and name HE2 ))
(( segid "UBI " and resid 42 and name HA ))
4.400 2.400 1.600 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.17460E-03 ppm1 4.504 ppm2 2.624 CV 1
OR { 1493}
(( segid "UBI " and resid 27 and name HE1 ))
(( segid "UBI " and resid 42 and name HA ))
ASSI { 1495}
( segid "UBI " and resid 44 and name HG2%)
(( segid "UBI " and resid 49 and name HA ))
4.000 2.000 2.000 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.29519E-03 ppm1 4.606 ppm2 0.829 CV 1
ASSI { 1496}
(( segid "UBI " and resid 57 and name HB2 ))
(( segid "UBI " and resid 57 and name HA ))
3.700 1.700 1.700 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.39277E-03 ppm1 4.224 ppm2 3.737 CV 1
ASSI { 1499}
(( segid "UBI " and resid 42 and name HD2 ))
(( segid "UBI " and resid 72 and name HA ))
4.000 2.000 2.000 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.30685E-03 ppm1 4.214 ppm2 3.049 CV 1
ASSI { 1502}
( segid "UBI " and resid 3 and name HG2%)
(( segid "UBI " and resid 1 and name HG1 ))
4.000 2.000 2.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.27586E-03 ppm1 2.466 ppm2 0.576 CV 1
ASSI { 1508}
( segid "UBI " and resid 14 and name HG2%)
(( segid "UBI " and resid 2 and name HB1 ))
3.900 1.900 1.900 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.33140E-03 ppm1 1.813 ppm2 1.081 CV 1
ASSI { 1509}
(( segid "UBI " and resid 16 and name HA ))
(( segid "UBI " and resid 2 and name HG2 ))
3.700 1.700 1.700 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.52165E-03 ppm1 1.887 ppm2 4.854 CV 1
ASSI { 1512}
( segid "UBI " and resid 59 and name HD% )
(( segid "UBI " and resid 48 and name HB2 ))
4.100 2.100 1.900 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.21510E-03 ppm1 1.883 ppm2 -0.795 CV 1
OR { 1512}
( segid "UBI " and resid 59 and name HD% )
(( segid "UBI " and resid 48 and name HB1 ))
ASSI { 1518}
( segid "UBI " and resid 69 and name HD1%)
(( segid "UBI " and resid 69 and name HB2 ))
3.000 1.100 1.100 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.13317E-02 ppm1 1.031 ppm2 0.799 CV 1
ASSI { 1519}
( segid "UBI " and resid 5 and name HG1%)
(( segid "UBI " and resid 69 and name HB2 ))
2.400 0.700 0.700 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.46948E-02 ppm1 1.024 ppm2 0.650 CV 1
OR { 1519}
( segid "UBI " and resid 5 and name HG2%)
(( segid "UBI " and resid 69 and name HB2 ))
ASSI { 1520}
(( segid "UBI " and resid 67 and name HA ))
( segid "UBI " and resid 67 and name HD1%)
3.500 1.500 1.500 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.75178E-03 ppm1 0.643 ppm2 4.973 CV 1
ASSI { 1523}
(( segid "UBI " and resid 65 and name HB2 ))
( segid "UBI " and resid 67 and name HD1%)
4.700 2.800 1.300 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.10433E-03 ppm1 0.648 ppm2 3.564 CV 1
ASSI { 1524}
(( segid "UBI " and resid 67 and name HG ))
( segid "UBI " and resid 67 and name HD1%)
2.600 0.800 0.800 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.33447E-02 ppm1 0.641 ppm2 1.696 CV 1
ASSI { 1525}
(( segid "UBI " and resid 67 and name HB1 ))
( segid "UBI " and resid 67 and name HD1%)
2.800 1.000 1.000 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.24395E-02 ppm1 0.645 ppm2 1.563 CV 1
OR { 1525}
(( segid "UBI " and resid 67 and name HB2 ))
( segid "UBI " and resid 67 and name HD1%)
ASSI { 1529}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 4 and name HB2 ))
3.700 1.800 1.800 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.38663E-03 ppm1 2.818 ppm2 0.814 CV 1
ASSI { 1533}
(( segid "UBI " and resid 26 and name HA ))
( segid "UBI " and resid 17 and name HG1%)
3.300 1.400 1.400 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.10065E-02 ppm1 0.674 ppm2 3.323 CV 1
ASSI { 1535}
(( segid "UBI " and resid 6 and name HE1 ))
(( segid "UBI " and resid 6 and name HB2 ))
4.300 2.300 1.700 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.26328E-03 ppm1 1.391 ppm2 2.863 CV 1
OR { 1535}
(( segid "UBI " and resid 6 and name HE2 ))
(( segid "UBI " and resid 6 and name HB2 ))
ASSI { 1536}
(( segid "UBI " and resid 6 and name HE1 ))
(( segid "UBI " and resid 6 and name HB1 ))
4.400 2.400 1.600 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.25285E-03 ppm1 1.703 ppm2 2.875 CV 1
OR { 1536}
(( segid "UBI " and resid 6 and name HE2 ))
(( segid "UBI " and resid 6 and name HB1 ))
ASSI { 1537}
( segid "UBI " and resid 66 and name HG2%)
(( segid "UBI " and resid 6 and name HB1 ))
3.900 1.900 1.900 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.43880E-03 ppm1 1.704 ppm2 0.817 CV 1
ASSI { 1538}
( segid "UBI " and resid 13 and name HG2%)
(( segid "UBI " and resid 33 and name HD1 ))
3.600 1.600 1.600 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.63518E-03 ppm1 1.661 ppm2 0.827 CV 1
ASSI { 1539}
(( segid "UBI " and resid 6 and name HA ))
(( segid "UBI " and resid 6 and name HD2 ))
4.300 2.300 1.700 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.44186E-03 ppm1 1.530 ppm2 5.192 CV 1
OR { 1539}
(( segid "UBI " and resid 6 and name HA ))
(( segid "UBI " and resid 6 and name HD1 ))
ASSI { 1552}
(( segid "UBI " and resid 71 and name HA ))
(( segid "UBI " and resid 71 and name HG ))
3.700 1.700 1.700 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.46641E-03 ppm1 1.660 ppm2 4.936 CV 1
ASSI { 1555}
(( segid "UBI " and resid 53 and name HA1 ))
( segid "UBI " and resid 22 and name HG2%)
4.600 2.600 1.400 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.20773E-03 ppm1 1.233 ppm2 3.980 CV 1
ASSI { 1556}
(( segid "UBI " and resid 24 and name HB2 ))
( segid "UBI " and resid 22 and name HG2%)
3.700 1.800 1.800 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.27493E-03 ppm1 1.228 ppm2 2.571 CV 1
OR { 1556}
(( segid "UBI " and resid 24 and name HB1 ))
( segid "UBI " and resid 22 and name HG2%)
ASSI { 1557}
(( segid "UBI " and resid 23 and name HB ))
( segid "UBI " and resid 22 and name HG2%)
4.600 2.600 1.400 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.29887E-03 ppm1 1.232 ppm2 2.394 CV 1
ASSI { 1561}
( segid "UBI " and resid 4 and name HE% )
( segid "UBI " and resid 12 and name HG2%)
4.100 2.100 1.900 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.31605E-03 ppm1 1.034 ppm2 -0.824 CV 1
ASSI { 1562}
(( segid "UBI " and resid 6 and name HB2 ))
( segid "UBI " and resid 12 and name HG2%)
2.700 0.900 0.900 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.24118E-02 ppm1 1.027 ppm2 1.392 CV 1
OR { 1562}
(( segid "UBI " and resid 6 and name HG1 ))
( segid "UBI " and resid 12 and name HG2%)
ASSI { 1563}
(( segid "UBI " and resid 6 and name HD2 ))
( segid "UBI " and resid 12 and name HG2%)
3.400 1.400 1.400 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.11507E-02 ppm1 1.029 ppm2 1.540 CV 1
OR { 1563}
(( segid "UBI " and resid 6 and name HD1 ))
( segid "UBI " and resid 12 and name HG2%)
ASSI { 1566}
(( segid "UBI " and resid 13 and name HA ))
( segid "UBI " and resid 12 and name HG2%)
3.800 1.800 1.800 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.27034E-03 ppm1 1.017 ppm2 4.416 CV 1
ASSI { 1569}
(( segid "UBI " and resid 11 and name HE1 ))
( segid "UBI " and resid 13 and name HD1%)
3.700 1.700 1.700 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.29182E-03 ppm1 0.687 ppm2 2.864 CV 1
OR { 1569}
(( segid "UBI " and resid 11 and name HE2 ))
( segid "UBI " and resid 13 and name HD1%)
ASSI { 1570}
(( segid "UBI " and resid 30 and name HA ))
( segid "UBI " and resid 13 and name HD1%)
4.300 2.300 1.700 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.22216E-03 ppm1 0.687 ppm2 3.478 CV 1
ASSI { 1572}
(( segid "UBI " and resid 4 and name HA ))
( segid "UBI " and resid 14 and name HG2%)
4.600 2.600 1.400 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.20589E-03 ppm1 1.091 ppm2 5.552 CV 1
ASSI { 1574}
(( segid "UBI " and resid 15 and name HB2 ))
(( segid "UBI " and resid 15 and name HG ))
2.300 0.700 0.700 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.75792E-02 ppm1 1.395 ppm2 1.164 CV 1
ASSI { 1577}
(( segid "UBI " and resid 18 and name HA ))
( segid "UBI " and resid 17 and name HG2%)
4.000 2.000 2.000 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.33140E-03 ppm1 0.412 ppm2 4.791 CV 1
ASSI { 1578}
(( segid "UBI " and resid 15 and name HB1 ))
( segid "UBI " and resid 17 and name HG2%)
3.900 1.900 1.900 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.37129E-03 ppm1 0.409 ppm2 1.338 CV 1
ASSI { 1579}
(( segid "UBI " and resid 18 and name HB2 ))
(( segid "UBI " and resid 21 and name HB1 ))
4.200 2.200 1.800 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.49403E-03 ppm1 2.926 ppm2 1.661 CV 1
ASSI { 1580}
(( segid "UBI " and resid 18 and name HB2 ))
(( segid "UBI " and resid 21 and name HB2 ))
4.000 2.000 2.000 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.18442E-03 ppm1 2.505 ppm2 1.668 CV 1
ASSI { 1581}
(( segid "UBI " and resid 24 and name HB2 ))
(( segid "UBI " and resid 22 and name HB ))
3.900 1.900 1.900 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.41118E-03 ppm1 4.699 ppm2 2.583 CV 1
OR { 1581}
(( segid "UBI " and resid 24 and name HB1 ))
(( segid "UBI " and resid 22 and name HB ))
ASSI { 1582}
(( segid "UBI " and resid 55 and name HA ))
(( segid "UBI " and resid 22 and name HB ))
3.300 3.300 2.700 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.55540E-03 ppm1 4.696 ppm2 5.162 CV 1
ASSI { 1585}
( segid "UBI " and resid 23 and name HD1%)
(( segid "UBI " and resid 23 and name HB ))
3.700 1.700 1.700 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.68427E-03 ppm1 2.379 ppm2 0.551 CV 1
ASSI { 1586}
(( segid "UBI " and resid 50 and name HB2 ))
(( segid "UBI " and resid 23 and name HG11))
4.400 2.400 1.600 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.36515E-03 ppm1 1.794 ppm2 0.971 CV 1
ASSI { 1589}
(( segid "UBI " and resid 21 and name HB1 ))
( segid "UBI " and resid 17 and name HG2%)
4.400 2.400 1.600 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.22983E-03 ppm1 0.426 ppm2 2.910 CV 1
ASSI { 1592}
(( segid "UBI " and resid 21 and name HB2 ))
(( segid "UBI " and resid 25 and name HB2 ))
3.800 3.800 2.200 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.67200E-03 ppm1 2.864 ppm2 2.503 CV 1
ASSI { 1594}
(( segid "UBI " and resid 25 and name HB1 ))
( segid "UBI " and resid 26 and name HG1%)
3.900 1.900 1.900 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.57381E-03 ppm1 0.933 ppm2 3.119 CV 1
ASSI { 1599}
(( segid "UBI " and resid 27 and name HA ))
(( segid "UBI " and resid 27 and name HB2 ))
3.300 1.400 1.400 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.11323E-02 ppm1 1.424 ppm2 4.552 CV 1
ASSI { 1602}
(( segid "UBI " and resid 29 and name HE2 ))
(( segid "UBI " and resid 29 and name HG1 ))
3.300 1.400 1.400 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.77015E-03 ppm1 1.716 ppm2 2.952 CV 1
ASSI { 1603}
(( segid "UBI " and resid 29 and name HE1 ))
(( segid "UBI " and resid 29 and name HG1 ))
3.900 1.900 1.900 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.52165E-03 ppm1 1.725 ppm2 3.109 CV 1
ASSI { 1607}
(( segid "UBI " and resid 29 and name HG2 ))
(( segid "UBI " and resid 29 and name HD2 ))
2.300 0.700 0.700 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.12304E-01 ppm1 1.424 ppm2 1.541 CV 1
ASSI { 1611}
(( segid "UBI " and resid 27 and name HA ))
(( segid "UBI " and resid 27 and name HG2 ))
2.900 1.100 1.100 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.14637E-02 ppm1 1.385 ppm2 4.560 CV 1
ASSI { 1616}
(( segid "UBI " and resid 27 and name HA ))
( segid "UBI " and resid 30 and name HG2%)
4.300 2.300 1.700 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.45720E-03 ppm1 0.662 ppm2 4.561 CV 1
ASSI { 1619}
(( segid "UBI " and resid 28 and name HA ))
(( segid "UBI " and resid 31 and name HB2 ))
3.600 1.600 1.600 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.86838E-03 ppm1 1.944 ppm2 4.178 CV 1
ASSI { 1624}
(( segid "UBI " and resid 30 and name HA ))
(( segid "UBI " and resid 33 and name HB1 ))
4.000 2.000 2.000 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.38663E-03 ppm1 1.988 ppm2 3.475 CV 1
ASSI { 1625}
( segid "UBI " and resid 13 and name HG2%)
(( segid "UBI " and resid 33 and name HB2 ))
4.000 2.000 2.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.38356E-03 ppm1 1.798 ppm2 0.826 CV 1
ASSI { 1626}
( segid "UBI " and resid 13 and name HG2%)
(( segid "UBI " and resid 33 and name HB1 ))
3.500 1.500 1.500 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.71189E-03 ppm1 1.979 ppm2 0.826 CV 1
ASSI { 1629}
(( segid "UBI " and resid 11 and name HE2 ))
(( segid "UBI " and resid 11 and name HB2 ))
4.300 2.300 1.700 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.28199E-03 ppm1 1.648 ppm2 2.864 CV 1
OR { 1629}
(( segid "UBI " and resid 11 and name HE1 ))
(( segid "UBI " and resid 11 and name HB2 ))
ASSI { 1630}
( segid "UBI " and resid 36 and name HG2%)
(( segid "UBI " and resid 36 and name HG12))
2.500 0.800 0.800 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.38356E-02 ppm1 1.073 ppm2 0.908 CV 1
ASSI { 1631}
(( segid "UBI " and resid 71 and name HA ))
( segid "UBI " and resid 36 and name HG2%)
3.900 1.900 1.900 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.37435E-03 ppm1 0.894 ppm2 4.960 CV 1
ASSI { 1632}
(( segid "UBI " and resid 68 and name HB2 ))
( segid "UBI " and resid 44 and name HG2%)
4.300 2.300 1.700 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.30132E-03 ppm1 0.840 ppm2 2.888 CV 1
ASSI { 1634}
(( segid "UBI " and resid 40 and name HB2 ))
(( segid "UBI " and resid 37 and name HD1 ))
5.500 3.800 0.500 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.13348E-03 ppm1 4.146 ppm2 1.797 CV 1
ASSI { 1638}
( segid "UBI " and resid 71 and name HD2%)
(( segid "UBI " and resid 40 and name HG2 ))
3.800 1.800 1.800 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.37129E-03 ppm1 2.369 ppm2 0.823 CV 1
OR { 1638}
( segid "UBI " and resid 71 and name HD2%)
(( segid "UBI " and resid 40 and name HG1 ))
ASSI { 1641}
(( segid "UBI " and resid 41 and name HG2 ))
(( segid "UBI " and resid 41 and name HB1 ))
2.800 1.000 1.000 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.15833E-02 ppm1 1.935 ppm2 1.630 CV 1
ASSI { 1642}
(( segid "UBI " and resid 36 and name HB ))
(( segid "UBI " and resid 41 and name HG1 ))
3.600 1.600 1.600 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.53391E-03 ppm1 2.515 ppm2 1.405 CV 1
ASSI { 1646}
(( segid "UBI " and resid 44 and name HA ))
(( segid "UBI " and resid 44 and name HB ))
3.700 1.700 1.700 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.50937E-03 ppm1 1.820 ppm2 5.004 CV 1
ASSI { 1649}
(( segid "UBI " and resid 45 and name HZ ))
( segid "UBI " and resid 46 and name HB% )
3.400 1.400 1.400 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.50937E-03 ppm1 0.844 ppm2 -0.560 CV 1
ASSI { 1650}
( segid "UBI " and resid 45 and name HD% )
( segid "UBI " and resid 46 and name HB% )
3.300 1.400 1.400 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.90214E-03 ppm1 0.843 ppm2 -0.679 CV 1
ASSI { 1653}
(( segid "UBI " and resid 24 and name HA ))
(( segid "UBI " and resid 52 and name HB2 ))
4.300 2.300 1.700 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.22031E-03 ppm1 2.461 ppm2 4.114 CV 1
ASSI { 1655}
(( segid "UBI " and resid 54 and name HB1 ))
(( segid "UBI " and resid 54 and name HD1 ))
3.300 1.400 1.400 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.81927E-03 ppm1 3.124 ppm2 2.203 CV 1
ASSI { 1656}
(( segid "UBI " and resid 54 and name HB1 ))
(( segid "UBI " and resid 54 and name HD2 ))
3.400 1.400 1.400 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.63824E-03 ppm1 3.075 ppm2 2.214 CV 1
ASSI { 1657}
(( segid "UBI " and resid 54 and name HD2 ))
(( segid "UBI " and resid 54 and name HG1 ))
3.700 1.700 1.700 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.35287E-03 ppm1 1.818 ppm2 3.094 CV 1
ASSI { 1661}
(( segid "UBI " and resid 56 and name HB2 ))
( segid "UBI " and resid 56 and name HD1%)
2.600 0.800 0.800 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.37435E-02 ppm1 0.718 ppm2 1.244 CV 1
ASSI { 1662}
(( segid "UBI " and resid 23 and name HA ))
( segid "UBI " and resid 56 and name HD2%)
4.700 2.700 1.300 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.13685E-03 ppm1 0.580 ppm2 3.567 CV 1
ASSI { 1671}
(( segid "UBI " and resid 64 and name HG2 ))
(( segid "UBI " and resid 63 and name HB2 ))
2.600 0.900 0.900 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.38356E-02 ppm1 1.854 ppm2 2.193 CV 1
OR { 1671}
(( segid "UBI " and resid 64 and name HG1 ))
(( segid "UBI " and resid 63 and name HB2 ))
ASSI { 1677}
(( segid "UBI " and resid 27 and name HE2 ))
( segid "UBI " and resid 43 and name HD1%)
4.100 2.100 1.900 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.24793E-03 ppm1 0.765 ppm2 2.637 CV 1
OR { 1677}
(( segid "UBI " and resid 27 and name HE1 ))
( segid "UBI " and resid 43 and name HD1%)
ASSI { 1687}
(( segid "UBI " and resid 68 and name HD2 ))
(( segid "UBI " and resid 68 and name HB2 ))
2.900 1.100 1.100 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.20498E-02 ppm1 2.917 ppm2 -1.194 CV 1
OR { 1687}
(( segid "UBI " and resid 68 and name HD2 ))
(( segid "UBI " and resid 68 and name HB1 ))
ASSI { 1690}
(( segid "UBI " and resid 73 and name HG ))
( segid "UBI " and resid 73 and name HD1%)
2.900 1.000 1.000 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.22247E-02 ppm1 0.816 ppm2 1.417 CV 1
OR { 1690}
(( segid "UBI " and resid 73 and name HB1 ))
( segid "UBI " and resid 73 and name HD1%)
ASSI { 1694}
(( segid "UBI " and resid 69 and name HB2 ))
( segid "UBI " and resid 69 and name HD2%)
2.500 0.800 0.800 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.52778E-02 ppm1 0.705 ppm2 1.016 CV 1
ASSI { 1699}
(( segid "UBI " and resid 27 and name HE2 ))
(( segid "UBI " and resid 43 and name HG ))
3.800 1.800 1.800 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.43880E-03 ppm1 1.459 ppm2 2.628 CV 1
OR { 1699}
(( segid "UBI " and resid 27 and name HE1 ))
(( segid "UBI " and resid 43 and name HG ))
ASSI { 1700}
(( segid "UBI " and resid 43 and name HA ))
(( segid "UBI " and resid 43 and name HG ))
3.600 1.600 1.600 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.51551E-03 ppm1 1.461 ppm2 5.350 CV 1
ASSI { 1701}
( segid "UBI " and resid 43 and name HD1%)
(( segid "UBI " and resid 43 and name HG ))
2.200 0.600 0.600 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.87449E-02 ppm1 1.467 ppm2 0.741 CV 1
OR { 1701}
( segid "UBI " and resid 43 and name HD2%)
(( segid "UBI " and resid 43 and name HG ))
ASSI { 1702}
(( segid "UBI " and resid 43 and name HB1 ))
( segid "UBI " and resid 50 and name HD1%)
2.400 0.700 0.700 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.50937E-02 ppm1 0.494 ppm2 1.560 CV 1
ASSI { 1705}
( segid "UBI " and resid 15 and name HD2%)
(( segid "UBI " and resid 15 and name HA ))
2.600 0.900 0.900 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.34674E-02 ppm1 4.720 ppm2 0.670 CV 1
ASSI { 1707}
(( segid "UBI " and resid 27 and name HD1 ))
(( segid "UBI " and resid 38 and name HA ))
3.100 1.200 1.200 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.12550E-02 ppm1 4.084 ppm2 1.697 CV 1
OR { 1707}
(( segid "UBI " and resid 27 and name HD2 ))
(( segid "UBI " and resid 38 and name HA ))
ASSI { 1709}
(( segid "UBI " and resid 56 and name HG ))
( segid "UBI " and resid 56 and name HD1%)
2.000 0.500 0.500 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.15895E-01 ppm1 0.716 ppm2 1.649 CV 1
ASSI { 1713}
(( segid "UBI " and resid 54 and name HG2 ))
(( segid "UBI " and resid 54 and name HB2 ))
3.300 1.400 1.400 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.10433E-02 ppm1 2.102 ppm2 1.579 CV 1
ASSI { 1714}
( segid "UBI " and resid 59 and name HE% )
(( segid "UBI " and resid 54 and name HB1 ))
3.400 1.400 1.400 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.16969E-02 ppm1 2.211 ppm2 -1.162 CV 1
ASSI { 1715}
( segid "UBI " and resid 59 and name HE% )
(( segid "UBI " and resid 54 and name HB2 ))
2.800 1.000 1.000 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.18134E-02 ppm1 2.108 ppm2 -1.161 CV 1
ASSI { 1719}
(( segid "UBI " and resid 41 and name HB2 ))
(( segid "UBI " and resid 41 and name HA ))
2.700 0.900 0.900 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.41732E-02 ppm1 4.128 ppm2 1.856 CV 1
ASSI { 1721}
( segid "UBI " and resid 44 and name HD1%)
(( segid "UBI " and resid 44 and name HA ))
3.400 1.400 1.400 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.15895E-02 ppm1 4.998 ppm2 0.762 CV 1
ASSI { 1}
(( segid "SH3 " and resid 43 and name HZ2 ))
( segid "SH3 " and resid 58 and name HB% )
3.100 1.200 1.200 peak 1 spectrum 1 weight 0.10000E+01 volume 0.14616E-02 ppm1 7.485 ppm2 -0.249 CV 1
ASSI { 2}
(( segid "SH3 " and resid 43 and name HD1 ))
( segid "SH3 " and resid 58 and name HB% )
3.000 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.16592E-02 ppm1 7.245 ppm2 -0.248 CV 1
ASSI { 4}
( segid "SH3 " and resid 32 and name HE% )
( segid "SH3 " and resid 48 and name HG2%)
3.100 1.200 1.200 peak 4 spectrum 1 weight 0.10000E+01 volume 0.12731E-02 ppm1 6.786 ppm2 0.165 CV 1
ASSI { 5}
(( segid "SH3 " and resid 43 and name HE3 ))
( segid "SH3 " and resid 33 and name HG2%)
3.100 1.200 1.200 peak 5 spectrum 1 weight 0.10000E+01 volume 0.14431E-02 ppm1 6.950 ppm2 0.327 CV 1
ASSI { 6}
(( segid "SH3 " and resid 43 and name HE3 ))
( segid "SH3 " and resid 33 and name HD1%)
3.000 1.100 1.100 peak 6 spectrum 1 weight 0.10000E+01 volume 0.18017E-02 ppm1 6.950 ppm2 0.635 CV 1
ASSI { 7}
(( segid "SH3 " and resid 43 and name HE3 ))
( segid "SH3 " and resid 61 and name HG2%)
2.900 1.100 1.100 peak 7 spectrum 1 weight 0.10000E+01 volume 0.19947E-02 ppm1 6.950 ppm2 0.705 CV 1
ASSI { 8}
( segid "SH3 " and resid 32 and name HE% )
( segid "SH3 " and resid 48 and name HG1%)
3.000 1.100 1.100 peak 8 spectrum 1 weight 0.10000E+01 volume 0.14800E-02 ppm1 6.787 ppm2 0.617 CV 1
ASSI { 10}
(( segid "SH3 " and resid 43 and name HZ3 ))
( segid "SH3 " and resid 61 and name HG2%)
2.700 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.31115E-02 ppm1 6.706 ppm2 0.706 CV 1
ASSI { 12}
(( segid "SH3 " and resid 43 and name HE3 ))
(( segid "SH3 " and resid 61 and name HG12))
3.800 1.800 1.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.69401E-03 ppm1 6.949 ppm2 1.187 CV 1
ASSI { 13}
( segid "SH3 " and resid 15 and name HD% )
( segid "SH3 " and resid 25 and name HG2%)
4.300 2.300 1.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.26841E-03 ppm1 7.449 ppm2 0.881 CV 1
ASSI { 15}
( segid "SH3 " and resid 15 and name HD% )
( segid "SH3 " and resid 56 and name HG1%)
3.100 1.200 1.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.12640E-02 ppm1 7.451 ppm2 1.170 CV 1
ASSI { 17}
( segid "SH3 " and resid 15 and name HE% )
( segid "SH3 " and resid 56 and name HG1%)
3.700 1.700 1.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.50557E-03 ppm1 7.354 ppm2 1.170 CV 1
ASSI { 18}
( segid "SH3 " and resid 15 and name HE% )
( segid "SH3 " and resid 17 and name HB% )
3.400 1.400 1.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.10157E-02 ppm1 7.356 ppm2 1.246 CV 1
ASSI { 19}
(( segid "SH3 " and resid 42 and name HE3 ))
( segid "SH3 " and resid 55 and name HD2%)
4.400 2.400 1.600 peak 19 spectrum 1 weight 0.10000E+01 volume 0.27898E-03 ppm1 7.015 ppm2 0.620 CV 1
ASSI { 21}
(( segid "SH3 " and resid 43 and name HE3 ))
(( segid "SH3 " and resid 33 and name HG12))
3.700 1.700 1.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.40492E-03 ppm1 6.951 ppm2 0.878 CV 1
ASSI { 22}
( segid "SH3 " and resid 15 and name HD% )
(( segid "SH3 " and resid 25 and name HG12))
3.000 1.200 1.200 peak 22 spectrum 1 weight 0.10000E+01 volume 0.12869E-02 ppm1 7.448 ppm2 1.815 CV 1
ASSI { 25}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 8 and name HG2 ))
2.700 0.900 0.900 peak 25 spectrum 1 weight 0.10000E+01 volume 0.21556E-02 ppm1 6.927 ppm2 1.588 CV 1
ASSI { 26}
(( segid "SH3 " and resid 42 and name HE3 ))
(( segid "SH3 " and resid 55 and name HB2 ))
3.200 1.300 1.300 peak 26 spectrum 1 weight 0.10000E+01 volume 0.33276E-02 ppm1 7.017 ppm2 1.495 CV 1
ASSI { 27}
(( segid "SH3 " and resid 42 and name HE3 ))
(( segid "SH3 " and resid 55 and name HB1 ))
3.200 1.300 1.300 peak 27 spectrum 1 weight 0.10000E+01 volume 0.85028E-03 ppm1 7.016 ppm2 1.645 CV 1
ASSI { 28}
(( segid "SH3 " and resid 43 and name HH2 ))
(( segid "SH3 " and resid 63 and name HG2 ))
3.700 1.700 1.700 peak 28 spectrum 1 weight 0.10000E+01 volume 0.56072E-03 ppm1 7.131 ppm2 1.949 CV 1
ASSI { 29}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 46 and name HB1 ))
2.800 1.000 1.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.21096E-02 ppm1 6.925 ppm2 1.999 CV 1
OR { 29}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 46 and name HG2 ))
ASSI { 31}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 8 and name HG1 ))
4.200 2.200 1.800 peak 31 spectrum 1 weight 0.10000E+01 volume 0.39757E-03 ppm1 6.928 ppm2 1.768 CV 1
OR { 31}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 8 and name HB2 ))
ASSI { 32}
( segid "SH3 " and resid 32 and name HE% )
(( segid "SH3 " and resid 8 and name HG2 ))
3.100 1.200 1.200 peak 32 spectrum 1 weight 0.10000E+01 volume 0.10066E-02 ppm1 6.789 ppm2 1.602 CV 1
ASSI { 34}
( segid "SH3 " and resid 13 and name HE% )
(( segid "SH3 " and resid 12 and name HB1 ))
3.700 1.700 1.700 peak 34 spectrum 1 weight 0.10000E+01 volume 0.56532E-03 ppm1 6.641 ppm2 1.411 CV 1
ASSI { 35}
( segid "SH3 " and resid 13 and name HE% )
(( segid "SH3 " and resid 12 and name HB2 ))
4.300 2.300 1.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.16224E-03 ppm1 6.637 ppm2 1.324 CV 1
ASSI { 36}
( segid "SH3 " and resid 13 and name HD% )
(( segid "SH3 " and resid 12 and name HB2 ))
3.300 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.70321E-03 ppm1 6.509 ppm2 1.319 CV 1
ASSI { 37}
( segid "SH3 " and resid 13 and name HD% )
(( segid "SH3 " and resid 12 and name HB1 ))
4.400 2.400 1.600 peak 37 spectrum 1 weight 0.10000E+01 volume 0.35804E-03 ppm1 6.514 ppm2 1.400 CV 1
ASSI { 38}
(( segid "SH3 " and resid 42 and name HZ3 ))
(( segid "SH3 " and resid 57 and name HD2 ))
4.000 2.000 2.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.96515E-03 ppm1 6.472 ppm2 1.959 CV 1
ASSI { 39}
(( segid "SH3 " and resid 43 and name HE3 ))
( segid "SH3 " and resid 58 and name HB% )
4.400 2.500 1.600 peak 39 spectrum 1 weight 0.10000E+01 volume 0.19901E-03 ppm1 6.955 ppm2 -0.249 CV 1
ASSI { 40}
(( segid "SH3 " and resid 43 and name HH2 ))
( segid "SH3 " and resid 58 and name HB% )
4.200 2.200 1.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.24727E-03 ppm1 7.118 ppm2 -0.231 CV 1
ASSI { 42}
(( segid "SH3 " and resid 15 and name HZ ))
(( segid "SH3 " and resid 22 and name HG1 ))
5.000 3.100 1.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.14891E-03 ppm1 7.489 ppm2 2.229 CV 1
OR { 42}
(( segid "SH3 " and resid 15 and name HZ ))
(( segid "SH3 " and resid 22 and name HB2 ))
ASSI { 43}
(( segid "SH3 " and resid 15 and name HZ ))
(( segid "SH3 " and resid 22 and name HB1 ))
4.400 2.500 1.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.18293E-03 ppm1 7.485 ppm2 2.336 CV 1
ASSI { 44}
( segid "SH3 " and resid 15 and name HE% )
(( segid "SH3 " and resid 22 and name HB2 ))
4.400 2.400 1.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.51936E-03 ppm1 7.357 ppm2 2.233 CV 1
OR { 44}
( segid "SH3 " and resid 15 and name HE% )
(( segid "SH3 " and resid 22 and name HG1 ))
ASSI { 45}
( segid "SH3 " and resid 15 and name HE% )
(( segid "SH3 " and resid 22 and name HB1 ))
2.800 1.000 1.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.15489E-02 ppm1 7.356 ppm2 2.333 CV 1
ASSI { 50}
( segid "SH3 " and resid 13 and name HD% )
(( segid "SH3 " and resid 13 and name HB1 ))
3.000 1.100 1.100 peak 50 spectrum 1 weight 0.10000E+01 volume 0.15351E-02 ppm1 6.508 ppm2 2.250 CV 1
ASSI { 51}
(( segid "SH3 " and resid 42 and name HZ3 ))
(( segid "SH3 " and resid 22 and name HG1 ))
4.200 2.200 1.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.48259E-03 ppm1 6.473 ppm2 2.229 CV 1
ASSI { 52}
( segid "SH3 " and resid 60 and name HD% )
(( segid "SH3 " and resid 59 and name HB1 ))
4.800 2.900 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.11536E-03 ppm1 6.783 ppm2 2.065 CV 1
ASSI { 54}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 32 and name HB2 ))
2.600 0.800 0.800 peak 54 spectrum 1 weight 0.10000E+01 volume 0.31437E-02 ppm1 6.925 ppm2 2.624 CV 1
ASSI { 56}
(( segid "SH3 " and resid 43 and name HE3 ))
(( segid "SH3 " and resid 43 and name HB2 ))
3.000 1.100 1.100 peak 56 spectrum 1 weight 0.10000E+01 volume 0.13880E-02 ppm1 6.950 ppm2 2.749 CV 1
ASSI { 57}
(( segid "SH3 " and resid 42 and name HD1 ))
(( segid "SH3 " and resid 42 and name HB2 ))
3.000 1.100 1.100 peak 57 spectrum 1 weight 0.10000E+01 volume 0.13697E-02 ppm1 6.980 ppm2 2.832 CV 1
ASSI { 58}
(( segid "SH3 " and resid 42 and name HE3 ))
(( segid "SH3 " and resid 42 and name HB2 ))
5.200 3.300 0.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.26750E-03 ppm1 7.018 ppm2 2.839 CV 1
ASSI { 60}
(( segid "SH3 " and resid 42 and name HD1 ))
(( segid "SH3 " and resid 42 and name HB1 ))
4.000 2.000 2.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.58371E-03 ppm1 6.980 ppm2 2.970 CV 1
ASSI { 63}
( segid "SH3 " and resid 60 and name HD% )
(( segid "SH3 " and resid 15 and name HB1 ))
3.700 1.700 1.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.10939E-02 ppm1 6.778 ppm2 3.287 CV 1
ASSI { 64}
( segid "SH3 " and resid 32 and name HE% )
(( segid "SH3 " and resid 48 and name HA ))
2.800 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.25692E-02 ppm1 6.786 ppm2 3.385 CV 1
ASSI { 66}
( segid "SH3 " and resid 15 and name HE% )
(( segid "SH3 " and resid 17 and name HA ))
3.000 1.100 1.100 peak 66 spectrum 1 weight 0.10000E+01 volume 0.14570E-02 ppm1 7.355 ppm2 3.792 CV 1
ASSI { 67}
(( segid "SH3 " and resid 15 and name HZ ))
(( segid "SH3 " and resid 17 and name HA ))
3.500 1.500 1.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.71699E-03 ppm1 7.483 ppm2 3.788 CV 1
ASSI { 70}
(( segid "SH3 " and resid 43 and name HD1 ))
(( segid "SH3 " and resid 43 and name HB1 ))
3.900 1.900 1.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.46421E-03 ppm1 7.249 ppm2 2.917 CV 1
ASSI { 74}
( segid "SH3 " and resid 15 and name HE% )
(( segid "SH3 " and resid 56 and name HA ))
4.500 2.500 1.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.14937E-03 ppm1 7.355 ppm2 4.753 CV 1
ASSI { 76}
(( segid "SH3 " and resid 42 and name HE3 ))
(( segid "SH3 " and resid 42 and name HA ))
3.700 1.800 1.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.57911E-03 ppm1 7.014 ppm2 4.817 CV 1
ASSI { 79}
(( segid "SH3 " and resid 42 and name HZ3 ))
(( segid "SH3 " and resid 56 and name HA ))
3.100 1.200 1.200 peak 79 spectrum 1 weight 0.10000E+01 volume 0.13053E-02 ppm1 6.470 ppm2 4.753 CV 1
ASSI { 80}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 8 and name HA ))
3.100 1.200 1.200 peak 80 spectrum 1 weight 0.10000E+01 volume 0.12961E-02 ppm1 6.924 ppm2 5.258 CV 1
ASSI { 81}
( segid "SH3 " and resid 32 and name HD% )
(( segid "SH3 " and resid 32 and name HA ))
2.400 0.700 0.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.51936E-02 ppm1 6.925 ppm2 5.436 CV 1
ASSI { 82}
(( segid "SH3 " and resid 43 and name HD1 ))
(( segid "SH3 " and resid 43 and name HA ))
2.400 0.700 0.700 peak 82 spectrum 1 weight 0.10000E+01 volume 0.50098E-02 ppm1 7.245 ppm2 5.439 CV 1
ASSI { 83}
( segid "SH3 " and resid 32 and name HE% )
(( segid "SH3 " and resid 32 and name HA ))
4.200 2.200 1.800 peak 83 spectrum 1 weight 0.10000E+01 volume 0.44444E-03 ppm1 6.788 ppm2 5.448 CV 1
ASSI { 87}
(( segid "SH3 " and resid 42 and name HE3 ))
(( segid "SH3 " and resid 42 and name HZ3 ))
2.400 0.700 0.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.54694E-02 ppm1 7.016 ppm2 6.471 CV 1
ASSI { 88}
(( segid "SH3 " and resid 42 and name HH2 ))
(( segid "SH3 " and resid 42 and name HZ3 ))
2.500 0.800 0.800 peak 88 spectrum 1 weight 0.10000E+01 volume 0.42744E-02 ppm1 6.924 ppm2 6.472 CV 1
ASSI { 89}
(( segid "SH3 " and resid 43 and name HH2 ))
(( segid "SH3 " and resid 43 and name HZ3 ))
2.500 0.800 0.800 peak 89 spectrum 1 weight 0.10000E+01 volume 0.47799E-02 ppm1 7.129 ppm2 6.708 CV 1
ASSI { 93}
(( segid "SH3 " and resid 43 and name HZ2 ))
(( segid "SH3 " and resid 43 and name HZ3 ))
4.300 2.300 1.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.40538E-03 ppm1 7.484 ppm2 6.709 CV 1
ASSI { 95}
( segid "SH3 " and resid 15 and name HD% )
( segid "SH3 " and resid 60 and name HE% )
3.300 1.400 1.400 peak 95 spectrum 1 weight 0.10000E+01 volume 0.91459E-03 ppm1 7.449 ppm2 7.011 CV 1
OR { 95}
( segid "SH3 " and resid 15 and name HD% )
(( segid "SH3 " and resid 60 and name HZ ))
ASSI { 96}
(( segid "SH3 " and resid 42 and name HZ3 ))
( segid "SH3 " and resid 15 and name HE% )
3.300 1.300 1.300 peak 96 spectrum 1 weight 0.10000E+01 volume 0.10341E-02 ppm1 6.475 ppm2 7.355 CV 1
ASSI { 97}
(( segid "SH3 " and resid 42 and name HZ3 ))
(( segid "SH3 " and resid 15 and name HZ ))
3.000 1.100 1.100 peak 97 spectrum 1 weight 0.10000E+01 volume 0.17465E-02 ppm1 6.470 ppm2 7.480 CV 1
ASSI { 98}
(( segid "SH3 " and resid 42 and name HH2 ))
( segid "SH3 " and resid 15 and name HE% )
3.200 1.300 1.300 peak 98 spectrum 1 weight 0.10000E+01 volume 0.13788E-02 ppm1 6.924 ppm2 7.356 CV 1
ASSI { 99}
(( segid "SH3 " and resid 42 and name HH2 ))
(( segid "SH3 " and resid 15 and name HZ ))
2.800 1.000 1.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.23762E-02 ppm1 6.929 ppm2 7.482 CV 1
ASSI { 104}
(( segid "SH3 " and resid 43 and name HZ3 ))
(( segid "SH3 " and resid 43 and name HE3 ))
2.100 0.600 0.600 peak 104 spectrum 1 weight 0.10000E+01 volume 0.11904E-01 ppm1 6.701 ppm2 6.948 CV 1
ASSI { 105}
( segid "SH3 " and resid 32 and name HE% )
( segid "SH3 " and resid 32 and name HD% )
1.900 0.400 0.400 peak 105 spectrum 1 weight 0.10000E+01 volume 0.21234E-01 ppm1 6.784 ppm2 6.923 CV 1
ASSI { 107}
( segid "SH3 " and resid 60 and name HE% )
( segid "SH3 " and resid 60 and name HD% )
2.100 0.500 0.500 peak 107 spectrum 1 weight 0.10000E+01 volume 0.12547E-01 ppm1 7.014 ppm2 6.782 CV 1
ASSI { 110}
( segid "SH3 " and resid 13 and name HD% )
( segid "SH3 " and resid 13 and name HE% )
2.000 0.500 0.500 peak 110 spectrum 1 weight 0.10000E+01 volume 0.15167E-01 ppm1 6.508 ppm2 6.637 CV 1
ASSI { 113}
( segid "SH3 " and resid 60 and name HD% )
( segid "SH3 " and resid 13 and name HD% )
3.000 1.100 1.100 peak 113 spectrum 1 weight 0.10000E+01 volume 0.25371E-02 ppm1 6.782 ppm2 6.515 CV 1
ASSI { 114}
( segid "SH3 " and resid 15 and name HE% )
( segid "SH3 " and resid 15 and name HD% )
1.800 0.400 0.400 peak 114 spectrum 1 weight 0.10000E+01 volume 0.29369E-01 ppm1 7.353 ppm2 7.465 CV 1
OR { 114}
( segid "SH3 " and resid 15 and name HE% )
(( segid "SH3 " and resid 15 and name HZ ))
ASSI { 116}
(( segid "SH3 " and resid 43 and name HH2 ))
(( segid "SH3 " and resid 43 and name HZ2 ))
2.600 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.44352E-02 ppm1 7.131 ppm2 7.486 CV 1
ASSI { 120}
(( segid "SH3 " and resid 42 and name HH2 ))
(( segid "SH3 " and resid 42 and name HZ2 ))
2.400 0.700 0.700 peak 120 spectrum 1 weight 0.10000E+01 volume 0.60669E-02 ppm1 6.923 ppm2 7.067 CV 1
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