NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
5311 |
1h3h   |
5388 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 6}
(( segid "SH3 " and resid 53 and name HA ))
(( segid "SH3 " and resid 53 and name HE1 ))
3.600 1.700 1.700 peak 6 weight 0.10000E+01 volume 0.14383E-02 ppm1 4.578 ppm2 9.604 CV 1
OR { 6}
(( segid "SLP " and resid 83 and name HB ))
(( segid "SH3 " and resid 53 and name HE1 ))
ASSI { 27}
(( segid "SH3 " and resid 54 and name HB1 ))
(( segid "SH3 " and resid 54 and name HE1 ))
4.000 2.000 2.000 peak 27 weight 0.10000E+01 volume 0.11275E-02 ppm1 1.814 ppm2 9.016 CV 1
OR { 27}
(( segid "SH3 " and resid 51 and name HB1 ))
(( segid "SH3 " and resid 54 and name HE1 ))
ASSI { 42}
(( segid "SH3 " and resid 22 and name HN ))
(( segid "SH3 " and resid 23 and name HN ))
3.500 1.500 1.500 peak 42 weight 0.10000E+01 volume 0.23654E-02 ppm1 8.558 ppm2 8.925 CV 1
OR { 42}
(( segid "SH3 " and resid 40 and name HN ))
(( segid "SH3 " and resid 23 and name HN ))
ASSI { 83}
(( segid "SH3 " and resid 65 and name HZ ))
(( segid "SH3 " and resid 67 and name HN ))
4.300 2.300 1.700 peak 83 weight 0.10000E+01 volume 0.10092E-02 ppm1 7.045 ppm2 7.281 CV 1
OR { 83}
( segid "SH3 " and resid 69 and name HD% )
(( segid "SH3 " and resid 67 and name HN ))
ASSI { 112}
(( segid "SH3 " and resid 58 and name HB1 ))
(( segid "SH3 " and resid 58 and name HN ))
2.400 0.700 0.700 peak 112 weight 0.10000E+01 volume 0.64616E-02 ppm1 1.353 ppm2 8.647 CV 1
OR { 112}
(( segid "SH3 " and resid 57 and name HB2 ))
(( segid "SH3 " and resid 58 and name HN ))
ASSI { 141}
(( segid "SH3 " and resid 22 and name HB2 ))
(( segid "SH3 " and resid 43 and name HN ))
3.600 1.600 1.600 peak 141 weight 0.10000E+01 volume 0.16766E-02 ppm1 1.527 ppm2 8.961 CV 1
OR { 141}
(( segid "SH3 " and resid 64 and name HB1 ))
(( segid "SH3 " and resid 35 and name HN ))
ASSI { 151}
(( segid "SH3 " and resid 44 and name HG1 ))
(( segid "SH3 " and resid 44 and name HN ))
4.100 2.100 1.900 peak 151 weight 0.10000E+01 volume 0.17825E-02 ppm1 0.931 ppm2 7.811 CV 1
OR { 151}
( segid "SH3 " and resid 21 and name HB% )
(( segid "SH3 " and resid 44 and name HN ))
ASSI { 196}
(( segid "SH3 " and resid 53 and name HB2 ))
(( segid "SH3 " and resid 53 and name HN ))
2.500 0.800 0.800 peak 196 weight 0.10000E+01 volume 0.32562E-02 ppm1 2.667 ppm2 8.288 CV 1
OR { 196}
(( segid "SH3 " and resid 50 and name HB1 ))
(( segid "SH3 " and resid 53 and name HN ))
ASSI { 234}
(( segid "SH3 " and resid 22 and name HN ))
(( segid "SH3 " and resid 21 and name HN ))
3.900 1.900 1.900 peak 234 weight 0.10000E+01 volume 0.13372E-02 ppm1 8.549 ppm2 9.073 CV 1
OR { 234}
(( segid "SH3 " and resid 73 and name HN ))
(( segid "SH3 " and resid 21 and name HN ))
ASSI { 236}
(( segid "SH3 " and resid 44 and name HA ))
(( segid "SH3 " and resid 21 and name HN ))
3.500 1.600 1.600 peak 236 weight 0.10000E+01 volume 0.18617E-02 ppm1 3.886 ppm2 9.073 CV 1
OR { 236}
(( segid "SH3 " and resid 43 and name HA ))
(( segid "SH3 " and resid 21 and name HN ))
ASSI { 256}
(( segid "SH3 " and resid 73 and name HB1 ))
(( segid "SH3 " and resid 73 and name HN ))
2.500 0.800 0.800 peak 256 weight 0.10000E+01 volume 0.66234E-02 ppm1 1.972 ppm2 8.553 CV 1
OR { 256}
(( segid "SH3 " and resid 73 and name HB1 ))
(( segid "SH3 " and resid 74 and name HN ))
OR { 256}
(( segid "SH3 " and resid 74 and name HG2 ))
(( segid "SH3 " and resid 74 and name HN ))
OR { 256}
(( segid "SH3 " and resid 72 and name HG1 ))
(( segid "SH3 " and resid 73 and name HN ))
ASSI { 259}
(( segid "SH3 " and resid 72 and name HA ))
(( segid "SH3 " and resid 73 and name HN ))
2.200 0.600 0.600 peak 259 weight 0.10000E+01 volume 0.97076E-02 ppm1 4.366 ppm2 8.546 CV 1
OR { 259}
(( segid "SH3 " and resid 72 and name HA ))
(( segid "SH3 " and resid 22 and name HN ))
ASSI { 280}
( segid "SH3 " and resid 27 and name HE% )
(( segid "SH3 " and resid 27 and name HN ))
3.500 1.500 1.500 peak 280 weight 0.10000E+01 volume 0.26757E-02 ppm1 6.596 ppm2 8.708 CV 1
OR { 280}
( segid "SH3 " and resid 37 and name HD% )
(( segid "SH3 " and resid 27 and name HN ))
ASSI { 289}
( segid "SH3 " and resid 18 and name HG1%)
(( segid "SH3 " and resid 73 and name HN ))
3.800 1.800 1.800 peak 289 weight 0.10000E+01 volume 0.20872E-02 ppm1 0.745 ppm2 8.547 CV 1
OR { 289}
( segid "SH3 " and resid 42 and name HG2%)
(( segid "SH3 " and resid 22 and name HN ))
OR { 289}
( segid "SH3 " and resid 42 and name HG2%)
(( segid "SH3 " and resid 73 and name HN ))
ASSI { 294}
(( segid "SH3 " and resid 22 and name HG2 ))
(( segid "SH3 " and resid 22 and name HN ))
3.300 1.400 1.400 peak 294 weight 0.10000E+01 volume 0.30906E-02 ppm1 1.182 ppm2 8.551 CV 1
OR { 294}
( segid "SH3 " and resid 71 and name HB% )
(( segid "SH3 " and resid 22 and name HN ))
ASSI { 302}
(( segid "SH3 " and resid 48 and name HB1 ))
(( segid "SH3 " and resid 48 and name HN ))
3.500 1.500 1.500 peak 302 weight 0.10000E+01 volume 0.17715E-02 ppm1 2.578 ppm2 8.491 CV 1
OR { 302}
(( segid "SH3 " and resid 47 and name HB1 ))
(( segid "SH3 " and resid 48 and name HN ))
ASSI { 304}
(( segid "SH3 " and resid 43 and name HN ))
(( segid "SH3 " and resid 42 and name HN ))
4.000 2.000 2.000 peak 304 weight 0.10000E+01 volume 0.11485E-02 ppm1 8.942 ppm2 8.183 CV 1
OR { 304}
(( segid "SH3 " and resid 23 and name HN ))
(( segid "SH3 " and resid 42 and name HN ))
ASSI { 309}
(( segid "SH3 " and resid 42 and name HB ))
(( segid "SH3 " and resid 42 and name HN ))
2.400 0.700 0.700 peak 309 weight 0.10000E+01 volume 0.10734E-01 ppm1 1.711 ppm2 8.184 CV 1
OR { 309}
(( segid "SH3 " and resid 41 and name HB2 ))
(( segid "SH3 " and resid 42 and name HN ))
ASSI { 316}
(( segid "SH3 " and resid 57 and name HB2 ))
(( segid "SH3 " and resid 61 and name HN ))
2.800 1.000 1.000 peak 316 weight 0.10000E+01 volume 0.47641E-02 ppm1 1.363 ppm2 7.793 CV 1
OR { 316}
(( segid "SH3 " and resid 58 and name HB1 ))
(( segid "SH3 " and resid 61 and name HN ))
ASSI { 317}
( segid "SH3 " and resid 35 and name HD1%)
(( segid "SH3 " and resid 61 and name HN ))
3.700 1.700 1.700 peak 317 weight 0.10000E+01 volume 0.14240E-02 ppm1 0.649 ppm2 7.795 CV 1
OR { 317}
( segid "SH3 " and resid 58 and name HD2%)
(( segid "SH3 " and resid 61 and name HN ))
ASSI { 357}
(( segid "SH3 " and resid 22 and name HB2 ))
(( segid "SH3 " and resid 41 and name HN ))
4.000 2.000 2.000 peak 357 weight 0.10000E+01 volume 0.18602E-02 ppm1 1.540 ppm2 7.789 CV 1
OR { 357}
(( segid "SH3 " and resid 38 and name HB1 ))
(( segid "SH3 " and resid 41 and name HN ))
ASSI { 369}
(( segid "SH3 " and resid 33 and name HB2 ))
(( segid "SH3 " and resid 34 and name HN ))
3.300 1.400 1.400 peak 369 weight 0.10000E+01 volume 0.40495E-02 ppm1 2.384 ppm2 7.438 CV 1
OR { 369}
(( segid "SH3 " and resid 34 and name HG2 ))
(( segid "SH3 " and resid 34 and name HN ))
ASSI { 395}
( segid "SH3 " and resid 18 and name HG1%)
(( segid "SH3 " and resid 20 and name HN ))
3.700 1.700 1.700 peak 395 weight 0.10000E+01 volume 0.24327E-02 ppm1 0.751 ppm2 7.960 CV 1
OR { 395}
( segid "SH3 " and resid 45 and name HG1%)
(( segid "SH3 " and resid 20 and name HN ))
ASSI { 398}
(( segid "SH3 " and resid 18 and name HA ))
(( segid "SH3 " and resid 20 and name HN ))
3.600 1.600 1.600 peak 398 weight 0.10000E+01 volume 0.27501E-02 ppm1 3.716 ppm2 7.956 CV 1
OR { 398}
(( segid "SH3 " and resid 72 and name HD1 ))
(( segid "SH3 " and resid 20 and name HN ))
ASSI { 401}
(( segid "SH3 " and resid 19 and name HA ))
(( segid "SH3 " and resid 20 and name HN ))
2.900 1.100 1.100 peak 401 weight 0.10000E+01 volume 0.33221E-02 ppm1 4.364 ppm2 7.960 CV 1
OR { 401}
(( segid "SH3 " and resid 72 and name HA ))
(( segid "SH3 " and resid 20 and name HN ))
ASSI { 443}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 57 and name HN ))
4.900 3.100 1.100 peak 443 weight 0.10000E+01 volume 0.11438E-02 ppm1 1.066 ppm2 8.879 CV 1
OR { 443}
( segid "SH3 " and resid 55 and name HG2%)
(( segid "SH3 " and resid 57 and name HN ))
ASSI { 473}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 47 and name HN ))
3.100 1.200 1.200 peak 473 weight 0.10000E+01 volume 0.43130E-02 ppm1 1.060 ppm2 7.317 CV 1
OR { 473}
( segid "SH3 " and resid 55 and name HG2%)
(( segid "SH3 " and resid 47 and name HN ))
ASSI { 505}
(( segid "SH3 " and resid 51 and name HD2 ))
(( segid "SH3 " and resid 50 and name HD22))
4.000 2.000 2.000 peak 505 weight 0.10000E+01 volume 0.10891E-02 ppm1 3.767 ppm2 7.590 CV 1
OR { 505}
(( segid "SH3 " and resid 55 and name HB ))
(( segid "SH3 " and resid 50 and name HD22))
ASSI { 514}
(( segid "SH3 " and resid 57 and name HN ))
(( segid "SH3 " and resid 56 and name HN ))
3.700 1.700 1.700 peak 514 weight 0.10000E+01 volume 0.17148E-02 ppm1 8.883 ppm2 9.543 CV 1
OR { 514}
(( segid "SH3 " and resid 65 and name HN ))
(( segid "SH3 " and resid 56 and name HN ))
ASSI { 526}
(( segid "SH3 " and resid 33 and name HA ))
(( segid "SH3 " and resid 33 and name HN ))
2.700 0.900 0.900 peak 526 weight 0.10000E+01 volume 0.63796E-02 ppm1 4.473 ppm2 7.870 CV 1
OR { 526}
(( segid "SH3 " and resid 31 and name HA ))
(( segid "SH3 " and resid 33 and name HN ))
ASSI { 531}
(( segid "SH3 " and resid 32 and name HB1 ))
(( segid "SH3 " and resid 33 and name HN ))
3.000 1.100 1.100 peak 531 weight 0.10000E+01 volume 0.59402E-02 ppm1 1.940 ppm2 7.870 CV 1
OR { 531}
(( segid "SH3 " and resid 31 and name HG1 ))
(( segid "SH3 " and resid 33 and name HN ))
OR { 531}
(( segid "SH3 " and resid 31 and name HG2 ))
(( segid "SH3 " and resid 33 and name HN ))
ASSI { 582}
(( segid "SH3 " and resid 54 and name HA ))
(( segid "SH3 " and resid 55 and name HN ))
2.400 0.700 0.700 peak 582 weight 0.10000E+01 volume 0.70573E-02 ppm1 4.998 ppm2 8.182 CV 1
OR { 582}
(( segid "SH3 " and resid 55 and name HA ))
(( segid "SH3 " and resid 55 and name HN ))
ASSI { 622}
(( segid "SH3 " and resid 35 and name HG ))
(( segid "SH3 " and resid 37 and name HN ))
3.500 1.500 1.500 peak 622 weight 0.10000E+01 volume 0.12056E-02 ppm1 1.487 ppm2 8.136 CV 1
OR { 622}
(( segid "SH3 " and resid 28 and name HB1 ))
(( segid "SH3 " and resid 37 and name HN ))
ASSI { 634}
(( segid "SH3 " and resid 61 and name HG2 ))
(( segid "SH3 " and resid 60 and name HN ))
4.100 2.100 1.900 peak 634 weight 0.10000E+01 volume 0.11514E-02 ppm1 1.358 ppm2 8.918 CV 1
OR { 634}
(( segid "SH3 " and resid 58 and name HB1 ))
(( segid "SH3 " and resid 60 and name HN ))
ASSI { 704}
( segid "SH3 " and resid 62 and name HD2%)
(( segid "SH3 " and resid 63 and name HN ))
3.200 1.300 1.300 peak 704 weight 0.10000E+01 volume 0.65189E-02 ppm1 0.660 ppm2 8.519 CV 1
OR { 704}
( segid "SH3 " and resid 35 and name HD1%)
(( segid "SH3 " and resid 63 and name HN ))
ASSI { 710}
(( segid "SH3 " and resid 55 and name HN ))
(( segid "SH3 " and resid 47 and name HN ))
3.600 1.700 1.700 peak 710 weight 0.10000E+01 volume 0.24376E-02 ppm1 8.187 ppm2 7.317 CV 1
OR { 710}
(( segid "SH3 " and resid 49 and name HN ))
(( segid "SH3 " and resid 47 and name HN ))
ASSI { 729}
(( segid "SH3 " and resid 73 and name HB1 ))
(( segid "SH3 " and resid 20 and name HE1 ))
4.700 2.800 1.300 peak 729 weight 0.10000E+01 volume 0.49192E-03 ppm1 1.973 ppm2 9.949 CV 1
OR { 729}
(( segid "SH3 " and resid 74 and name HG2 ))
(( segid "SH3 " and resid 20 and name HE1 ))
OR { 729}
(( segid "SH3 " and resid 72 and name HG1 ))
(( segid "SH3 " and resid 20 and name HE1 ))
ASSI { 777}
(( segid "SH3 " and resid 57 and name HD2 ))
(( segid "SH3 " and resid 59 and name HN ))
4.000 2.000 2.000 peak 777 weight 0.10000E+01 volume 0.52839E-03 ppm1 2.938 ppm2 9.493 CV 1
OR { 777}
(( segid "SH3 " and resid 60 and name HB2 ))
(( segid "SH3 " and resid 59 and name HN ))
ASSI { 779}
(( segid "SH3 " and resid 58 and name HB1 ))
(( segid "SH3 " and resid 59 and name HN ))
4.000 2.000 2.000 peak 779 weight 0.10000E+01 volume 0.10504E-02 ppm1 1.354 ppm2 9.491 CV 1
OR { 779}
(( segid "SH3 " and resid 57 and name HG1 ))
(( segid "SH3 " and resid 59 and name HN ))
ASSI { 831}
( segid "SH3 " and resid 37 and name HD% )
(( segid "SH3 " and resid 39 and name HN ))
4.200 2.200 1.800 peak 831 weight 0.10000E+01 volume 0.84014E-03 ppm1 6.592 ppm2 8.961 CV 1
OR { 831}
( segid "SH3 " and resid 27 and name HE% )
(( segid "SH3 " and resid 39 and name HN ))
ASSI { 836}
(( segid "SH3 " and resid 38 and name HB1 ))
(( segid "SH3 " and resid 40 and name HN ))
5.000 3.200 1.000 peak 836 weight 0.10000E+01 volume 0.44631E-03 ppm1 1.521 ppm2 8.575 CV 1
OR { 836}
(( segid "SH3 " and resid 22 and name HB2 ))
(( segid "SH3 " and resid 40 and name HN ))
ASSI { 838}
(( segid "SH3 " and resid 22 and name HA ))
(( segid "SH3 " and resid 40 and name HN ))
4.500 2.500 1.500 peak 838 weight 0.10000E+01 volume 0.80910E-03 ppm1 4.674 ppm2 8.576 CV 1
OR { 838}
(( segid "SH3 " and resid 26 and name HA ))
(( segid "SH3 " and resid 40 and name HN ))
ASSI { 853}
(( segid "SH3 " and resid 61 and name HA ))
(( segid "SH3 " and resid 63 and name HN ))
5.000 3.100 1.000 peak 853 weight 0.10000E+01 volume 0.52444E-03 ppm1 4.475 ppm2 8.522 CV 1
OR { 853}
(( segid "SH3 " and resid 33 and name HA ))
(( segid "SH3 " and resid 63 and name HN ))
ASSI { 872}
( segid "SH3 " and resid 58 and name HD2%)
(( segid "SH3 " and resid 60 and name HN ))
4.600 2.700 1.400 peak 872 weight 0.10000E+01 volume 0.48453E-03 ppm1 0.645 ppm2 8.914 CV 1
OR { 872}
( segid "SH3 " and resid 35 and name HD1%)
(( segid "SH3 " and resid 60 and name HN ))
ASSI { 886}
(( segid "SH3 " and resid 35 and name HB1 ))
(( segid "SH3 " and resid 56 and name HN ))
4.300 2.400 1.700 peak 886 weight 0.10000E+01 volume 0.50718E-03 ppm1 1.816 ppm2 9.547 CV 1
OR { 886}
(( segid "SH3 " and resid 54 and name HB1 ))
(( segid "SH3 " and resid 56 and name HN ))
ASSI { 923}
(( segid "SH3 " and resid 18 and name HA ))
(( segid "SH3 " and resid 73 and name HN ))
4.400 2.500 1.600 peak 923 weight 0.10000E+01 volume 0.59763E-03 ppm1 3.710 ppm2 8.546 CV 1
OR { 923}
(( segid "SH3 " and resid 72 and name HD1 ))
(( segid "SH3 " and resid 73 and name HN ))
ASSI { 935}
(( segid "SH3 " and resid 57 and name HD2 ))
(( segid "SH3 " and resid 62 and name HN ))
4.000 2.000 2.000 peak 935 weight 0.10000E+01 volume 0.66887E-03 ppm1 2.950 ppm2 8.241 CV 1
OR { 935}
(( segid "SH3 " and resid 60 and name HB2 ))
(( segid "SH3 " and resid 62 and name HN ))
ASSI { 937}
( segid "SH3 " and resid 62 and name HD2%)
(( segid "SH3 " and resid 62 and name HN ))
3.600 1.600 1.600 peak 937 weight 0.10000E+01 volume 0.29894E-02 ppm1 0.658 ppm2 8.236 CV 1
OR { 937}
( segid "SH3 " and resid 35 and name HD1%)
(( segid "SH3 " and resid 62 and name HN ))
ASSI { 953}
(( segid "SH3 " and resid 51 and name HB1 ))
(( segid "SH3 " and resid 53 and name HN ))
4.200 2.200 1.800 peak 953 weight 0.10000E+01 volume 0.14402E-02 ppm1 1.817 ppm2 8.285 CV 1
OR { 953}
(( segid "SH3 " and resid 54 and name HB1 ))
(( segid "SH3 " and resid 53 and name HN ))
ASSI { 967}
(( segid "SH3 " and resid 54 and name HB1 ))
(( segid "SH3 " and resid 67 and name HN ))
5.200 3.300 0.800 peak 967 weight 0.10000E+01 volume 0.44929E-03 ppm1 1.823 ppm2 7.284 CV 1
OR { 967}
(( segid "SH3 " and resid 28 and name HG2 ))
(( segid "SH3 " and resid 67 and name HN ))
ASSI { 968}
(( segid "SH3 " and resid 53 and name HB2 ))
(( segid "SH3 " and resid 67 and name HN ))
4.200 2.200 1.800 peak 968 weight 0.10000E+01 volume 0.77113E-03 ppm1 2.669 ppm2 7.281 CV 1
OR { 968}
(( segid "SH3 " and resid 50 and name HB1 ))
(( segid "SH3 " and resid 67 and name HN ))
ASSI { 992}
( segid "SH3 " and resid 62 and name HD2%)
(( segid "SH3 " and resid 57 and name HN ))
3.900 1.900 1.900 peak 992 weight 0.10000E+01 volume 0.25375E-02 ppm1 0.653 ppm2 8.875 CV 1
OR { 992}
( segid "SH3 " and resid 35 and name HD1%)
(( segid "SH3 " and resid 57 and name HN ))
ASSI { 993}
(( segid "SH3 " and resid 35 and name HB1 ))
(( segid "SH3 " and resid 65 and name HN ))
3.900 1.900 1.900 peak 993 weight 0.10000E+01 volume 0.15543E-02 ppm1 1.801 ppm2 8.892 CV 1
OR { 993}
(( segid "SH3 " and resid 54 and name HB1 ))
(( segid "SH3 " and resid 65 and name HN ))
ASSI { 2}
(( segid "SH3 " and resid 49 and name HN ))
(( segid "SH3 " and resid 48 and name HA ))
3.000 1.100 1.100 peak 2 weight 0.10000E+01 volume 0.31564E-02 ppm1 8.191 ppm2 3.272 CV 1
OR { 2}
(( segid "SH3 " and resid 55 and name HN ))
(( segid "SH3 " and resid 48 and name HA ))
ASSI { 29}
(( segid "SH3 " and resid 31 and name HA ))
(( segid "SH3 " and resid 32 and name HB1 ))
3.900 1.900 1.900 peak 29 weight 0.10000E+01 volume 0.13182E-02 ppm1 4.474 ppm2 1.926 CV 1
OR { 29}
(( segid "SH3 " and resid 33 and name HA ))
(( segid "SH3 " and resid 32 and name HB1 ))
ASSI { 115}
(( segid "SH3 " and resid 67 and name HA ))
(( segid "SH3 " and resid 66 and name HG2 ))
4.500 2.500 1.500 peak 115 weight 0.10000E+01 volume 0.98896E-03 ppm1 2.480 ppm2 0.227 CV 1
OR { 115}
(( segid "SH3 " and resid 65 and name HB1 ))
(( segid "SH3 " and resid 66 and name HG2 ))
ASSI { 117}
(( segid "SH3 " and resid 27 and name HA ))
(( segid "SH3 " and resid 66 and name HG2 ))
4.400 2.400 1.600 peak 117 weight 0.10000E+01 volume 0.87383E-03 ppm1 4.797 ppm2 0.226 CV 1
OR { 117}
(( segid "SH3 " and resid 65 and name HA ))
(( segid "SH3 " and resid 66 and name HG2 ))
ASSI { 123}
(( segid "SH3 " and resid 68 and name HD22))
(( segid "SH3 " and resid 66 and name HG2 ))
4.100 2.100 1.900 peak 123 weight 0.10000E+01 volume 0.16538E-02 ppm1 6.609 ppm2 0.216 CV 1
OR { 123}
( segid "SH3 " and resid 37 and name HD% )
(( segid "SH3 " and resid 66 and name HG2 ))
OR { 123}
( segid "SH3 " and resid 69 and name HE% )
(( segid "SH3 " and resid 66 and name HG2 ))
ASSI { 126}
( segid "SH3 " and resid 69 and name HE% )
(( segid "SH3 " and resid 66 and name HG1 ))
3.900 1.900 1.900 peak 126 weight 0.10000E+01 volume 0.19137E-02 ppm1 6.622 ppm2 -0.193 CV 1
OR { 126}
(( segid "SH3 " and resid 68 and name HD22))
(( segid "SH3 " and resid 66 and name HG1 ))
OR { 126}
( segid "SH3 " and resid 37 and name HD% )
(( segid "SH3 " and resid 66 and name HG1 ))
ASSI { 127}
(( segid "SH3 " and resid 27 and name HA ))
(( segid "SH3 " and resid 66 and name HG1 ))
4.100 2.100 1.900 peak 127 weight 0.10000E+01 volume 0.90933E-03 ppm1 4.797 ppm2 -0.192 CV 1
OR { 127}
(( segid "SH3 " and resid 65 and name HA ))
(( segid "SH3 " and resid 66 and name HG1 ))
ASSI { 151}
(( segid "SH3 " and resid 22 and name HN ))
(( segid "SH3 " and resid 22 and name HG1 ))
3.900 1.900 1.900 peak 151 weight 0.10000E+01 volume 0.18219E-02 ppm1 8.558 ppm2 1.119 CV 1
OR { 151}
(( segid "SH3 " and resid 40 and name HN ))
(( segid "SH3 " and resid 22 and name HG1 ))
ASSI { 179}
(( segid "SH3 " and resid 41 and name HN ))
( segid "SH3 " and resid 58 and name HD1%)
3.900 1.900 1.900 peak 179 weight 0.10000E+01 volume 0.18969E-02 ppm1 7.791 ppm2 0.848 CV 1
OR { 179}
(( segid "SH3 " and resid 44 and name HN ))
( segid "SH3 " and resid 58 and name HD1%)
ASSI { 182}
(( segid "SH3 " and resid 41 and name HG1 ))
( segid "SH3 " and resid 58 and name HD1%)
4.200 2.200 1.800 peak 182 weight 0.10000E+01 volume 0.11408E-02 ppm1 2.454 ppm2 0.848 CV 1
OR { 182}
(( segid "SH3 " and resid 27 and name HB1 ))
( segid "SH3 " and resid 58 and name HD1%)
ASSI { 217}
(( segid "SH3 " and resid 26 and name HA ))
(( segid "SH3 " and resid 38 and name HG2 ))
3.500 1.500 1.500 peak 217 weight 0.10000E+01 volume 0.14824E-02 ppm1 4.674 ppm2 1.560 CV 1
OR { 217}
(( segid "SH3 " and resid 37 and name HA ))
(( segid "SH3 " and resid 38 and name HG2 ))
ASSI { 224}
(( segid "SH3 " and resid 37 and name HA ))
(( segid "SH3 " and resid 38 and name HG1 ))
3.400 1.400 1.400 peak 224 weight 0.10000E+01 volume 0.11699E-02 ppm1 4.661 ppm2 1.466 CV 1
OR { 224}
(( segid "SH3 " and resid 26 and name HA ))
(( segid "SH3 " and resid 38 and name HG1 ))
ASSI { 249}
(( segid "SH3 " and resid 33 and name HB1 ))
( segid "SH3 " and resid 64 and name HD2%)
3.600 1.600 1.600 peak 249 weight 0.10000E+01 volume 0.32899E-02 ppm1 2.392 ppm2 0.514 CV 1
OR { 249}
(( segid "SH3 " and resid 34 and name HG2 ))
( segid "SH3 " and resid 64 and name HD2%)
ASSI { 344}
(( segid "SH3 " and resid 34 and name HG1 ))
( segid "SH3 " and resid 64 and name HD1%)
3.000 1.100 1.100 peak 344 weight 0.10000E+01 volume 0.15354E-02 ppm1 2.117 ppm2 0.614 CV 1
OR { 344}
(( segid "SLP " and resid 84 and name HE1 ))
( segid "SH3 " and resid 64 and name HD1%)
ASSI { 364}
(( segid "SH3 " and resid 52 and name HN ))
(( segid "SH3 " and resid 51 and name HD2 ))
3.000 1.100 1.100 peak 364 weight 0.10000E+01 volume 0.16356E-02 ppm1 8.283 ppm2 3.768 CV 1
OR { 364}
(( segid "SH3 " and resid 53 and name HN ))
(( segid "SH3 " and resid 51 and name HD2 ))
ASSI { 374}
(( segid "SH3 " and resid 64 and name HN ))
( segid "SH3 " and resid 35 and name HD2%)
4.100 2.100 1.900 peak 374 weight 0.10000E+01 volume 0.92778E-03 ppm1 9.077 ppm2 0.803 CV 1
OR { 374}
(( segid "SH3 " and resid 21 and name HN ))
( segid "SH3 " and resid 35 and name HD2%)
ASSI { 412}
(( segid "SH3 " and resid 41 and name HG1 ))
( segid "SH3 " and resid 58 and name HD2%)
4.200 2.200 1.800 peak 412 weight 0.10000E+01 volume 0.93106E-03 ppm1 2.455 ppm2 0.629 CV 1
OR { 412}
(( segid "SH3 " and resid 27 and name HB1 ))
( segid "SH3 " and resid 58 and name HD2%)
ASSI { 421}
(( segid "SLP " and resid 81 and name HG1 ))
( segid "SH3 " and resid 30 and name HD1%)
3.600 1.600 1.600 peak 421 weight 0.10000E+01 volume 0.20643E-02 ppm1 1.975 ppm2 0.565 CV 1
OR { 421}
(( segid "SH3 " and resid 31 and name HB2 ))
( segid "SH3 " and resid 30 and name HD1%)
ASSI { 453}
(( segid "SH3 " and resid 37 and name HZ ))
( segid "SH3 " and resid 21 and name HB% )
3.200 1.300 1.300 peak 453 weight 0.10000E+01 volume 0.27710E-02 ppm1 6.533 ppm2 0.942 CV 1
OR { 453}
(( segid "SH3 " and resid 54 and name HZ3 ))
( segid "SH3 " and resid 21 and name HB% )
ASSI { 514}
(( segid "SH3 " and resid 48 and name HB1 ))
( segid "SH3 " and resid 45 and name HG1%)
3.700 1.700 1.700 peak 514 weight 0.10000E+01 volume 0.17741E-02 ppm1 2.604 ppm2 0.746 CV 1
OR { 514}
(( segid "SH3 " and resid 54 and name HB2 ))
( segid "SH3 " and resid 45 and name HG1%)
ASSI { 582}
(( segid "SH3 " and resid 73 and name HN ))
( segid "SH3 " and resid 42 and name HG1%)
3.700 1.700 1.700 peak 582 weight 0.10000E+01 volume 0.16426E-02 ppm1 8.553 ppm2 0.698 CV 1
OR { 582}
(( segid "SH3 " and resid 22 and name HN ))
( segid "SH3 " and resid 42 and name HG1%)
ASSI { 625}
(( segid "SH3 " and resid 69 and name HB1 ))
( segid "SH3 " and resid 70 and name HG2%)
3.300 1.300 1.300 peak 625 weight 0.10000E+01 volume 0.40395E-02 ppm1 3.357 ppm2 0.160 CV 1
OR { 625}
(( segid "SH3 " and resid 65 and name HB2 ))
( segid "SH3 " and resid 70 and name HG2%)
OR { 625}
(( segid "SH3 " and resid 69 and name HB2 ))
( segid "SH3 " and resid 70 and name HG2%)
ASSI { 626}
(( segid "SH3 " and resid 67 and name HA ))
( segid "SH3 " and resid 70 and name HG2%)
3.400 1.500 1.500 peak 626 weight 0.10000E+01 volume 0.25290E-02 ppm1 2.467 ppm2 0.160 CV 1
OR { 626}
(( segid "SH3 " and resid 65 and name HB1 ))
( segid "SH3 " and resid 70 and name HG2%)
ASSI { 658}
(( segid "SH3 " and resid 22 and name HA ))
( segid "SH3 " and resid 23 and name HB% )
3.400 1.500 1.500 peak 658 weight 0.10000E+01 volume 0.50527E-02 ppm1 4.658 ppm2 0.993 CV 1
OR { 658}
(( segid "SH3 " and resid 37 and name HA ))
( segid "SH3 " and resid 23 and name HB% )
ASSI { 708}
( segid "SH3 " and resid 35 and name HD1%)
(( segid "SH3 " and resid 63 and name HA2 ))
4.300 2.300 1.700 peak 708 weight 0.10000E+01 volume 0.15398E-02 ppm1 0.656 ppm2 4.041 CV 1
OR { 708}
( segid "SH3 " and resid 62 and name HD2%)
(( segid "SH3 " and resid 63 and name HA2 ))
ASSI { 717}
( segid "SH3 " and resid 55 and name HG2%)
(( segid "SH3 " and resid 56 and name HA1 ))
5.100 3.200 0.900 peak 717 weight 0.10000E+01 volume 0.11302E-02 ppm1 1.068 ppm2 3.799 CV 1
OR { 717}
(( segid "SH3 " and resid 46 and name HB1 ))
(( segid "SH3 " and resid 56 and name HA1 ))
ASSI { 727}
( segid "SH3 " and resid 35 and name HD1%)
(( segid "SH3 " and resid 58 and name HB2 ))
3.300 1.400 1.400 peak 727 weight 0.10000E+01 volume 0.29066E-02 ppm1 0.644 ppm2 1.628 CV 1
OR { 727}
( segid "SH3 " and resid 58 and name HD2%)
(( segid "SH3 " and resid 58 and name HB2 ))
ASSI { 743}
(( segid "SH3 " and resid 67 and name HA ))
( segid "SH3 " and resid 70 and name HG1%)
3.700 1.700 1.700 peak 743 weight 0.10000E+01 volume 0.29705E-02 ppm1 2.466 ppm2 0.640 CV 1
OR { 743}
(( segid "SH3 " and resid 65 and name HB1 ))
( segid "SH3 " and resid 70 and name HG1%)
ASSI { 787}
(( segid "SH3 " and resid 36 and name HA2 ))
(( segid "SH3 " and resid 35 and name HB1 ))
3.600 1.600 1.600 peak 787 weight 0.10000E+01 volume 0.12472E-02 ppm1 3.896 ppm2 0.686 CV 1
OR { 787}
(( segid "SH3 " and resid 43 and name HA ))
(( segid "SH3 " and resid 35 and name HB1 ))
ASSI { 872}
(( segid "SH3 " and resid 20 and name HB1 ))
( segid "SH3 " and resid 73 and name HE% )
3.700 1.700 1.700 peak 872 weight 0.10000E+01 volume 0.22542E-02 ppm1 2.975 ppm2 1.755 CV 1
OR { 872}
(( segid "SH3 " and resid 22 and name HD2 ))
( segid "SH3 " and resid 73 and name HE% )
ASSI { 953}
(( segid "SH3 " and resid 52 and name HN ))
(( segid "SH3 " and resid 50 and name HB2 ))
3.900 1.900 1.900 peak 953 weight 0.10000E+01 volume 0.22255E-02 ppm1 8.281 ppm2 3.423 CV 1
OR { 953}
(( segid "SH3 " and resid 53 and name HN ))
(( segid "SH3 " and resid 50 and name HB2 ))
ASSI { 964}
(( segid "SH3 " and resid 52 and name HN ))
(( segid "SH3 " and resid 50 and name HB1 ))
2.800 1.000 1.000 peak 964 weight 0.10000E+01 volume 0.19592E-02 ppm1 8.275 ppm2 2.651 CV 1
OR { 964}
(( segid "SH3 " and resid 53 and name HN ))
(( segid "SH3 " and resid 50 and name HB1 ))
ASSI { 1008}
(( segid "SH3 " and resid 53 and name HN ))
(( segid "SH3 " and resid 52 and name HB2 ))
2.500 0.800 0.800 peak 1008 weight 0.10000E+01 volume 0.50118E-02 ppm1 8.279 ppm2 3.811 CV 1
OR { 1008}
(( segid "SH3 " and resid 52 and name HN ))
(( segid "SH3 " and resid 52 and name HB2 ))
ASSI { 1023}
(( segid "SH3 " and resid 67 and name HA ))
(( segid "SH3 " and resid 69 and name HB2 ))
4.300 2.300 1.700 peak 1023 weight 0.10000E+01 volume 0.11328E-02 ppm1 2.480 ppm2 3.367 CV 1
OR { 1023}
(( segid "SH3 " and resid 67 and name HA ))
(( segid "SH3 " and resid 69 and name HB1 ))
OR { 1023}
(( segid "SH3 " and resid 65 and name HB1 ))
(( segid "SH3 " and resid 69 and name HB1 ))
OR { 1023}
(( segid "SH3 " and resid 65 and name HB1 ))
(( segid "SH3 " and resid 69 and name HB2 ))
ASSI { 1039}
(( segid "SH3 " and resid 46 and name HG ))
(( segid "SH3 " and resid 45 and name HA ))
3.800 1.800 1.800 peak 1039 weight 0.10000E+01 volume 0.21883E-02 ppm1 1.283 ppm2 3.846 CV 1
OR { 1039}
(( segid "SH3 " and resid 44 and name HG1 ))
(( segid "SH3 " and resid 45 and name HA ))
ASSI { 1061}
(( segid "SH3 " and resid 25 and name HA ))
(( segid "SH3 " and resid 39 and name HB2 ))
2.900 1.000 1.000 peak 1061 weight 0.10000E+01 volume 0.40781E-02 ppm1 4.644 ppm2 3.465 CV 1
OR { 1061}
(( segid "SH3 " and resid 25 and name HA ))
(( segid "SH3 " and resid 39 and name HB1 ))
OR { 1061}
(( segid "SH3 " and resid 26 and name HA ))
(( segid "SH3 " and resid 39 and name HB1 ))
ASSI { 1080}
(( segid "SH3 " and resid 33 and name HA ))
(( segid "SH3 " and resid 32 and name HG1 ))
3.500 1.500 1.500 peak 1080 weight 0.10000E+01 volume 0.30308E-02 ppm1 4.485 ppm2 2.172 CV 1
OR { 1080}
(( segid "SH3 " and resid 33 and name HA ))
(( segid "SH3 " and resid 32 and name HG2 ))
OR { 1080}
(( segid "SH3 " and resid 31 and name HA ))
(( segid "SH3 " and resid 32 and name HG1 ))
ASSI { 1084}
(( segid "SLP " and resid 84 and name HD2 ))
(( segid "SH3 " and resid 31 and name HG1 ))
3.900 1.900 1.900 peak 1084 weight 0.10000E+01 volume 0.12771E-02 ppm1 0.563 ppm2 1.957 CV 1
OR { 1084}
(( segid "SLP " and resid 84 and name HD2 ))
(( segid "SH3 " and resid 31 and name HG2 ))
OR { 1084}
( segid "SH3 " and resid 30 and name HD1%)
(( segid "SH3 " and resid 31 and name HG2 ))
ASSI { 1124}
(( segid "SH3 " and resid 73 and name HN ))
(( segid "SH3 " and resid 73 and name HB2 ))
2.600 0.800 0.800 peak 1124 weight 0.10000E+01 volume 0.37321E-02 ppm1 8.555 ppm2 1.977 CV 1
OR { 1124}
(( segid "SH3 " and resid 74 and name HN ))
(( segid "SH3 " and resid 73 and name HB2 ))
ASSI { 1128}
(( segid "SH3 " and resid 73 and name HN ))
(( segid "SH3 " and resid 73 and name HB1 ))
2.700 0.900 0.900 peak 1128 weight 0.10000E+01 volume 0.45915E-02 ppm1 8.555 ppm2 1.737 CV 1
OR { 1128}
(( segid "SH3 " and resid 74 and name HN ))
(( segid "SH3 " and resid 73 and name HB1 ))
ASSI { 1192}
(( segid "SH3 " and resid 52 and name HN ))
(( segid "SH3 " and resid 52 and name HA ))
2.600 0.800 0.800 peak 1192 weight 0.10000E+01 volume 0.63916E-02 ppm1 8.284 ppm2 4.223 CV 1
OR { 1192}
(( segid "SH3 " and resid 53 and name HN ))
(( segid "SH3 " and resid 52 and name HA ))
ASSI { 1200}
(( segid "SH3 " and resid 25 and name HA ))
(( segid "SH3 " and resid 39 and name HA ))
3.100 1.200 1.200 peak 1200 weight 0.10000E+01 volume 0.18315E-02 ppm1 4.647 ppm2 3.200 CV 1
OR { 1200}
(( segid "SH3 " and resid 26 and name HA ))
(( segid "SH3 " and resid 39 and name HA ))
ASSI { 1212}
( segid "SH3 " and resid 42 and name HG2%)
(( segid "SH3 " and resid 20 and name HB1 ))
4.000 2.000 2.000 peak 1212 weight 0.10000E+01 volume 0.15788E-02 ppm1 0.756 ppm2 2.969 CV 1
OR { 1212}
( segid "SH3 " and resid 18 and name HG1%)
(( segid "SH3 " and resid 20 and name HB1 ))
ASSI { 1217}
( segid "SH3 " and resid 18 and name HG1%)
(( segid "SH3 " and resid 20 and name HB2 ))
4.300 2.300 1.700 peak 1217 weight 0.10000E+01 volume 0.12671E-02 ppm1 0.756 ppm2 2.793 CV 1
OR { 1217}
( segid "SH3 " and resid 42 and name HG2%)
(( segid "SH3 " and resid 20 and name HB2 ))
ASSI { 1231}
(( segid "SH3 " and resid 72 and name HD2 ))
(( segid "SH3 " and resid 72 and name HB2 ))
2.900 1.000 1.000 peak 1231 weight 0.10000E+01 volume 0.21220E-02 ppm1 3.712 ppm2 2.391 CV 1
OR { 1231}
(( segid "SH3 " and resid 18 and name HA ))
(( segid "SH3 " and resid 72 and name HB2 ))
ASSI { 1241}
(( segid "SH3 " and resid 72 and name HD2 ))
(( segid "SH3 " and resid 72 and name HB1 ))
3.300 1.400 1.400 peak 1241 weight 0.10000E+01 volume 0.27184E-02 ppm1 3.715 ppm2 1.912 CV 1
OR { 1241}
(( segid "SH3 " and resid 18 and name HA ))
(( segid "SH3 " and resid 72 and name HB1 ))
ASSI { 1252}
(( segid "SH3 " and resid 31 and name HA ))
(( segid "SH3 " and resid 32 and name HA ))
3.300 1.300 1.300 peak 1252 weight 0.10000E+01 volume 0.29566E-02 ppm1 4.488 ppm2 3.893 CV 1
OR { 1252}
(( segid "SH3 " and resid 33 and name HA ))
(( segid "SH3 " and resid 32 and name HA ))
ASSI { 1308}
(( segid "SH3 " and resid 22 and name HA ))
(( segid "SH3 " and resid 22 and name HB2 ))
3.100 1.200 1.200 peak 1308 weight 0.10000E+01 volume 0.33102E-02 ppm1 4.663 ppm2 1.526 CV 1
OR { 1308}
(( segid "SH3 " and resid 26 and name HA ))
(( segid "SH3 " and resid 38 and name HB1 ))
ASSI { 1368}
(( segid "SH3 " and resid 74 and name HN ))
(( segid "SH3 " and resid 73 and name HG2 ))
3.100 1.200 1.200 peak 1368 weight 0.10000E+01 volume 0.42394E-02 ppm1 8.550 ppm2 2.315 CV 1
OR { 1368}
(( segid "SH3 " and resid 73 and name HN ))
(( segid "SH3 " and resid 73 and name HG2 ))
ASSI { 1372}
(( segid "SH3 " and resid 73 and name HN ))
(( segid "SH3 " and resid 73 and name HG1 ))
3.500 1.500 1.500 peak 1372 weight 0.10000E+01 volume 0.47627E-02 ppm1 8.550 ppm2 2.209 CV 1
OR { 1372}
(( segid "SH3 " and resid 74 and name HN ))
(( segid "SH3 " and resid 73 and name HG1 ))
ASSI { 1404}
(( segid "SH3 " and resid 67 and name HN ))
(( segid "SH3 " and resid 66 and name HB1 ))
3.500 1.600 1.600 peak 1404 weight 0.10000E+01 volume 0.15737E-02 ppm1 7.277 ppm2 1.240 CV 1
OR { 1404}
(( segid "SH3 " and resid 70 and name HN ))
(( segid "SH3 " and resid 66 and name HB1 ))
ASSI { 1430}
(( segid "SH3 " and resid 44 and name HA ))
(( segid "SH3 " and resid 44 and name HB1 ))
3.400 1.400 1.400 peak 1430 weight 0.10000E+01 volume 0.18390E-02 ppm1 3.867 ppm2 1.790 CV 1
OR { 1430}
(( segid "SH3 " and resid 43 and name HA ))
(( segid "SH3 " and resid 44 and name HB1 ))
ASSI { 1455}
(( segid "SH3 " and resid 16 and name HA1 ))
(( segid "SH3 " and resid 17 and name HA ))
3.300 1.400 1.400 peak 1455 weight 0.10000E+01 volume 0.28454E-02 ppm1 3.717 ppm2 4.035 CV 1
OR { 1455}
(( segid "SH3 " and resid 18 and name HA ))
(( segid "SH3 " and resid 17 and name HA ))
OR { 1455}
(( segid "SH3 " and resid 16 and name HA2 ))
(( segid "SH3 " and resid 17 and name HA ))
ASSI { 1470}
( segid "SH3 " and resid 21 and name HB% )
(( segid "SH3 " and resid 20 and name HA ))
3.600 1.600 1.600 peak 1470 weight 0.10000E+01 volume 0.19707E-02 ppm1 0.946 ppm2 5.305 CV 1
OR { 1470}
(( segid "SH3 " and resid 44 and name HG2 ))
(( segid "SH3 " and resid 20 and name HA ))
ASSI { 1521}
(( segid "SH3 " and resid 34 and name HG2 ))
(( segid "SH3 " and resid 31 and name HB1 ))
3.900 1.900 1.900 peak 1521 weight 0.10000E+01 volume 0.80587E-03 ppm1 2.381 ppm2 1.293 CV 1
OR { 1521}
(( segid "SH3 " and resid 33 and name HB1 ))
(( segid "SH3 " and resid 31 and name HB1 ))
ASSI { 1551}
(( segid "SH3 " and resid 58 and name HG ))
(( segid "SH3 " and resid 43 and name HA ))
3.600 1.700 1.700 peak 1551 weight 0.10000E+01 volume 0.12428E-02 ppm1 0.956 ppm2 3.874 CV 1
OR { 1551}
( segid "SH3 " and resid 21 and name HB% )
(( segid "SH3 " and resid 43 and name HA ))
ASSI { 1579}
(( segid "SH3 " and resid 54 and name HZ2 ))
(( segid "SH3 " and resid 48 and name HB2 ))
4.100 2.100 1.900 peak 1579 weight 0.10000E+01 volume 0.10158E-02 ppm1 7.314 ppm2 1.670 CV 1
OR { 1579}
(( segid "SH3 " and resid 47 and name HN ))
(( segid "SH3 " and resid 48 and name HB2 ))
ASSI { 1581}
(( segid "SH3 " and resid 47 and name HN ))
(( segid "SH3 " and resid 48 and name HB1 ))
3.700 1.700 1.700 peak 1581 weight 0.10000E+01 volume 0.17500E-02 ppm1 7.313 ppm2 2.588 CV 1
OR { 1581}
(( segid "SH3 " and resid 54 and name HZ2 ))
(( segid "SH3 " and resid 48 and name HB1 ))
ASSI { 1591}
(( segid "SH3 " and resid 53 and name HN ))
(( segid "SH3 " and resid 52 and name HB1 ))
2.700 0.900 0.900 peak 1591 weight 0.10000E+01 volume 0.47222E-02 ppm1 8.284 ppm2 3.671 CV 1
OR { 1591}
(( segid "SH3 " and resid 52 and name HN ))
(( segid "SH3 " and resid 52 and name HB1 ))
ASSI { 1595}
(( segid "SH3 " and resid 55 and name HA ))
(( segid "SH3 " and resid 55 and name HB ))
3.000 1.100 1.100 peak 1595 weight 0.10000E+01 volume 0.24625E-02 ppm1 4.994 ppm2 3.778 CV 1
OR { 1595}
(( segid "SH3 " and resid 54 and name HA ))
(( segid "SH3 " and resid 55 and name HB ))
ASSI { 1598}
(( segid "SH3 " and resid 57 and name HB2 ))
(( segid "SH3 " and resid 57 and name HA ))
2.400 0.700 0.700 peak 1598 weight 0.10000E+01 volume 0.57509E-02 ppm1 1.354 ppm2 5.601 CV 1
OR { 1598}
(( segid "SH3 " and resid 58 and name HB1 ))
(( segid "SH3 " and resid 57 and name HA ))
ASSI { 1614}
(( segid "SH3 " and resid 61 and name HG1 ))
(( segid "SH3 " and resid 61 and name HA ))
2.900 1.000 1.000 peak 1614 weight 0.10000E+01 volume 0.58176E-02 ppm1 1.426 ppm2 4.487 CV 1
OR { 1614}
(( segid "SH3 " and resid 62 and name HG ))
(( segid "SH3 " and resid 61 and name HA ))
ASSI { 1633}
(( segid "SH3 " and resid 67 and name HA ))
(( segid "SH3 " and resid 66 and name HB1 ))
4.300 2.300 1.700 peak 1633 weight 0.10000E+01 volume 0.58382E-03 ppm1 2.472 ppm2 1.243 CV 1
OR { 1633}
(( segid "SH3 " and resid 65 and name HB1 ))
(( segid "SH3 " and resid 66 and name HB1 ))
ASSI { 1634}
(( segid "SH3 " and resid 67 and name HA ))
(( segid "SH3 " and resid 66 and name HB2 ))
4.700 2.800 1.300 peak 1634 weight 0.10000E+01 volume 0.64638E-03 ppm1 2.479 ppm2 0.867 CV 1
OR { 1634}
(( segid "SH3 " and resid 65 and name HB1 ))
(( segid "SH3 " and resid 66 and name HB2 ))
ASSI { 1641}
(( segid "SH3 " and resid 70 and name HN ))
(( segid "SH3 " and resid 66 and name HG1 ))
4.600 2.700 1.400 peak 1641 weight 0.10000E+01 volume 0.74189E-03 ppm1 7.273 ppm2 -0.194 CV 1
OR { 1641}
(( segid "SH3 " and resid 67 and name HN ))
(( segid "SH3 " and resid 66 and name HG1 ))
ASSI { 1642}
(( segid "SH3 " and resid 27 and name HB1 ))
(( segid "SH3 " and resid 66 and name HG1 ))
4.700 2.800 1.300 peak 1642 weight 0.10000E+01 volume 0.78744E-03 ppm1 2.479 ppm2 -0.191 CV 1
OR { 1642}
(( segid "SH3 " and resid 65 and name HB1 ))
(( segid "SH3 " and resid 66 and name HG1 ))
ASSI { 1651}
(( segid "SH3 " and resid 54 and name HZ3 ))
(( segid "SH3 " and resid 67 and name HA ))
4.200 2.200 1.800 peak 1651 weight 0.10000E+01 volume 0.73513E-03 ppm1 6.549 ppm2 2.460 CV 1
OR { 1651}
(( segid "SH3 " and resid 37 and name HZ ))
(( segid "SH3 " and resid 67 and name HA ))
ASSI { 1673}
(( segid "SH3 " and resid 73 and name HN ))
(( segid "SH3 " and resid 72 and name HG1 ))
4.100 2.100 1.900 peak 1673 weight 0.10000E+01 volume 0.10011E-02 ppm1 8.546 ppm2 1.972 CV 1
OR { 1673}
(( segid "SH3 " and resid 22 and name HN ))
(( segid "SH3 " and resid 72 and name HG1 ))
ASSI { 1674}
(( segid "SH3 " and resid 73 and name HN ))
(( segid "SH3 " and resid 72 and name HG2 ))
4.500 2.600 1.500 peak 1674 weight 0.10000E+01 volume 0.87803E-03 ppm1 8.546 ppm2 2.284 CV 1
OR { 1674}
(( segid "SH3 " and resid 22 and name HN ))
(( segid "SH3 " and resid 72 and name HG2 ))
ASSI { 1700}
(( segid "SH3 " and resid 35 and name HG ))
( segid "SH3 " and resid 29 and name HB% )
3.500 1.600 1.600 peak 1700 weight 0.10000E+01 volume 0.16879E-02 ppm1 1.482 ppm2 0.929 CV 1
OR { 1700}
(( segid "SH3 " and resid 28 and name HB2 ))
( segid "SH3 " and resid 29 and name HB% )
OR { 1700}
(( segid "SH3 " and resid 28 and name HB1 ))
( segid "SH3 " and resid 29 and name HB% )
ASSI { 1730}
(( segid "SH3 " and resid 57 and name HB2 ))
(( segid "SH3 " and resid 60 and name HA ))
2.900 1.100 1.100 peak 1730 weight 0.10000E+01 volume 0.36762E-02 ppm1 1.344 ppm2 4.143 CV 1
OR { 1730}
(( segid "SH3 " and resid 57 and name HG1 ))
(( segid "SH3 " and resid 60 and name HA ))
OR { 1730}
(( segid "SH3 " and resid 58 and name HB1 ))
(( segid "SH3 " and resid 60 and name HA ))
ASSI { 1764}
(( segid "SH3 " and resid 22 and name HD2 ))
(( segid "SH3 " and resid 73 and name HG2 ))
4.100 2.100 1.900 peak 1764 weight 0.10000E+01 volume 0.73091E-03 ppm1 2.980 ppm2 2.313 CV 1
OR { 1764}
(( segid "SH3 " and resid 20 and name HB1 ))
(( segid "SH3 " and resid 73 and name HG2 ))
ASSI { 1765}
(( segid "SH3 " and resid 22 and name HD2 ))
(( segid "SH3 " and resid 73 and name HG1 ))
3.600 1.700 1.700 peak 1765 weight 0.10000E+01 volume 0.64196E-03 ppm1 2.983 ppm2 2.210 CV 1
OR { 1765}
(( segid "SH3 " and resid 20 and name HB1 ))
(( segid "SH3 " and resid 73 and name HG1 ))
ASSI { 1819}
(( segid "SH3 " and resid 16 and name HA1 ))
(( segid "SH3 " and resid 17 and name HB2 ))
4.100 2.100 1.900 peak 1819 weight 0.10000E+01 volume 0.67768E-03 ppm1 3.717 ppm2 1.553 CV 1
OR { 1819}
(( segid "SH3 " and resid 18 and name HA ))
(( segid "SH3 " and resid 17 and name HB2 ))
OR { 1819}
(( segid "SH3 " and resid 16 and name HA2 ))
(( segid "SH3 " and resid 17 and name HB2 ))
ASSI { 1820}
(( segid "SH3 " and resid 18 and name HA ))
(( segid "SH3 " and resid 17 and name HB1 ))
4.300 2.300 1.700 peak 1820 weight 0.10000E+01 volume 0.72415E-03 ppm1 3.717 ppm2 1.507 CV 1
OR { 1820}
(( segid "SH3 " and resid 16 and name HA1 ))
(( segid "SH3 " and resid 17 and name HB1 ))
OR { 1820}
(( segid "SH3 " and resid 16 and name HA2 ))
(( segid "SH3 " and resid 17 and name HB1 ))
ASSI { 1831}
(( segid "SH3 " and resid 36 and name HA2 ))
(( segid "SH3 " and resid 35 and name HB2 ))
4.400 2.400 1.600 peak 1831 weight 0.10000E+01 volume 0.66181E-03 ppm1 3.897 ppm2 1.813 CV 1
OR { 1831}
(( segid "SH3 " and resid 43 and name HA ))
(( segid "SH3 " and resid 35 and name HB2 ))
ASSI { 1835}
(( segid "SH3 " and resid 41 and name HN ))
(( segid "SH3 " and resid 37 and name HB1 ))
4.700 2.800 1.300 peak 1835 weight 0.10000E+01 volume 0.67371E-03 ppm1 7.782 ppm2 2.854 CV 1
OR { 1835}
(( segid "SH3 " and resid 28 and name HN ))
(( segid "SH3 " and resid 37 and name HB1 ))
ASSI { 1873}
(( segid "SH3 " and resid 65 and name HZ ))
(( segid "SH3 " and resid 65 and name HB2 ))
4.100 2.100 1.900 peak 1873 weight 0.10000E+01 volume 0.13341E-02 ppm1 7.044 ppm2 3.360 CV 1
OR { 1873}
( segid "SH3 " and resid 27 and name HD% )
(( segid "SH3 " and resid 65 and name HB2 ))
OR { 1873}
( segid "SH3 " and resid 69 and name HD% )
(( segid "SH3 " and resid 65 and name HB2 ))
ASSI { 1905}
(( segid "SH3 " and resid 34 and name HG2 ))
(( segid "SH3 " and resid 31 and name HG1 ))
4.000 2.000 2.000 peak 1905 weight 0.10000E+01 volume 0.10263E-02 ppm1 2.389 ppm2 1.953 CV 1
OR { 1905}
(( segid "SH3 " and resid 33 and name HB1 ))
(( segid "SH3 " and resid 31 and name HG1 ))
OR { 1905}
(( segid "SH3 " and resid 34 and name HG2 ))
(( segid "SH3 " and resid 31 and name HG2 ))
OR { 1905}
(( segid "SH3 " and resid 33 and name HB1 ))
(( segid "SH3 " and resid 31 and name HG2 ))
ASSI { 1964}
(( segid "SH3 " and resid 46 and name HB1 ))
( segid "SH3 " and resid 45 and name HG1%)
3.500 1.500 1.500 peak 1964 weight 0.10000E+01 volume 0.37905E-02 ppm1 1.061 ppm2 0.749 CV 1
OR { 1964}
(( segid "SH3 " and resid 19 and name HG2 ))
( segid "SH3 " and resid 45 and name HG1%)
ASSI { 2031}
(( segid "SH3 " and resid 73 and name HB2 ))
(( segid "SH3 " and resid 20 and name HB1 ))
4.200 2.200 1.800 peak 2031 weight 0.10000E+01 volume 0.56817E-03 ppm1 1.981 ppm2 2.971 CV 1
OR { 2031}
(( segid "SH3 " and resid 72 and name HG1 ))
(( segid "SH3 " and resid 20 and name HB1 ))
ASSI { 2032}
(( segid "SH3 " and resid 73 and name HB2 ))
(( segid "SH3 " and resid 20 and name HB2 ))
4.000 2.000 2.000 peak 2032 weight 0.10000E+01 volume 0.66834E-03 ppm1 1.984 ppm2 2.798 CV 1
OR { 2032}
(( segid "SH3 " and resid 72 and name HG1 ))
(( segid "SH3 " and resid 20 and name HB2 ))
ASSI { 2040}
(( segid "SH3 " and resid 31 and name HN ))
(( segid "SH3 " and resid 28 and name HB1 ))
4.700 2.700 1.300 peak 2040 weight 0.10000E+01 volume 0.64171E-03 ppm1 6.816 ppm2 1.475 CV 1
OR { 2040}
(( segid "SH3 " and resid 31 and name HN ))
(( segid "SH3 " and resid 28 and name HB2 ))
OR { 2040}
( segid "SH3 " and resid 65 and name HE% )
(( segid "SH3 " and resid 28 and name HB1 ))
ASSI { 2073}
(( segid "SH3 " and resid 58 and name HB1 ))
( segid "SH3 " and resid 35 and name HD1%)
2.600 0.800 0.800 peak 2073 weight 0.10000E+01 volume 0.27623E-02 ppm1 1.348 ppm2 0.665 CV 1
OR { 2073}
(( segid "SH3 " and resid 61 and name HG2 ))
( segid "SH3 " and resid 35 and name HD1%)
ASSI { 2078}
(( segid "SH3 " and resid 71 and name HN ))
(( segid "SH3 " and resid 22 and name HB2 ))
4.000 2.000 2.000 peak 2078 weight 0.10000E+01 volume 0.46446E-03 ppm1 8.719 ppm2 1.525 CV 1
OR { 2078}
(( segid "SH3 " and resid 27 and name HN ))
(( segid "SH3 " and resid 38 and name HB1 ))
ASSI { 2098}
(( segid "SH3 " and resid 41 and name HG1 ))
( segid "SH3 " and resid 43 and name HG2%)
5.500 3.800 0.500 peak 2098 weight 0.10000E+01 volume 0.66809E-03 ppm1 2.460 ppm2 0.273 CV 1
OR { 2098}
(( segid "SH3 " and resid 27 and name HB1 ))
( segid "SH3 " and resid 43 and name HG2%)
ASSI { 2114}
(( segid "SH3 " and resid 72 and name HB2 ))
( segid "SH3 " and resid 45 and name HG2%)
4.500 2.500 1.500 peak 2114 weight 0.10000E+01 volume 0.79678E-03 ppm1 2.384 ppm2 0.354 CV 1
OR { 2114}
(( segid "SH3 " and resid 47 and name HB2 ))
( segid "SH3 " and resid 45 and name HG2%)
ASSI { 2186}
(( segid "SH3 " and resid 20 and name HZ2 ))
(( segid "SH3 " and resid 19 and name HG1 ))
4.000 2.000 2.000 peak 2186 weight 0.10000E+01 volume 0.77155E-03 ppm1 7.228 ppm2 1.239 CV 1
OR { 2186}
(( segid "SH3 " and resid 20 and name HZ2 ))
(( segid "SH3 " and resid 75 and name HG2 ))
ASSI { 2201}
( segid "SH3 " and resid 69 and name HD% )
(( segid "SH3 " and resid 66 and name HA ))
4.300 2.300 1.700 peak 2201 weight 0.10000E+01 volume 0.14114E-02 ppm1 7.039 ppm2 3.132 CV 1
OR { 2201}
(( segid "SH3 " and resid 65 and name HZ ))
(( segid "SH3 " and resid 66 and name HA ))
ASSI { 2216}
(( segid "SH3 " and resid 55 and name HN ))
(( segid "SH3 " and resid 54 and name HB2 ))
3.300 1.400 1.400 peak 2216 weight 0.10000E+01 volume 0.34397E-02 ppm1 8.177 ppm2 2.618 CV 1
OR { 2216}
(( segid "SH3 " and resid 50 and name HD21))
(( segid "SH3 " and resid 54 and name HB2 ))
ASSI { 2217}
(( segid "SH3 " and resid 55 and name HN ))
(( segid "SH3 " and resid 54 and name HB1 ))
2.800 1.000 1.000 peak 2217 weight 0.10000E+01 volume 0.30002E-02 ppm1 8.174 ppm2 1.807 CV 1
OR { 2217}
(( segid "SH3 " and resid 50 and name HD21))
(( segid "SH3 " and resid 54 and name HB1 ))
ASSI { 26}
(( segid "SLP " and resid 83 and name HN ))
(( segid "SLP " and resid 81 and name HN ))
3.800 1.800 1.800 peak 26 weight 0.10000E+01 volume 0.14621E-02 ppm1 6.976 ppm2 9.197 CV 1
OR { 26}
(( segid "SH3 " and resid 53 and name HZ2 ))
(( segid "SLP " and resid 81 and name HN ))
ASSI { 29}
(( segid "SLP " and resid 81 and name HA ))
(( segid "SLP " and resid 81 and name HN ))
3.000 1.100 1.100 peak 29 weight 0.10000E+01 volume 0.26199E-02 ppm1 3.856 ppm2 9.197 CV 1
OR { 29}
(( segid "SLP " and resid 82 and name HB1 ))
(( segid "SLP " and resid 81 and name HN ))
ASSI { 51}
(( segid "SLP " and resid 81 and name HA ))
(( segid "SLP " and resid 84 and name HN ))
3.800 1.800 1.800 peak 51 weight 0.10000E+01 volume 0.93926E-03 ppm1 3.854 ppm2 6.527 CV 1
OR { 51}
(( segid "SLP " and resid 82 and name HB2 ))
(( segid "SLP " and resid 84 and name HN ))
ASSI { 52}
(( segid "SLP " and resid 85 and name HD2 ))
(( segid "SLP " and resid 84 and name HN ))
2.900 2.900 3.100 peak 52 weight 0.10000E+01 volume 0.81532E-03 ppm1 3.438 ppm2 6.527 CV 1
OR { 52}
(( segid "SH3 " and resid 50 and name HB1 ))
(( segid "SLP " and resid 84 and name HN ))
ASSI { 101}
(( segid "SLP " and resid 81 and name HG2 ))
(( segid "SLP " and resid 81 and name HE ))
3.200 1.300 1.300 peak 101 weight 0.10000E+01 volume 0.17287E-02 ppm1 1.978 ppm2 10.507 CV 1
OR { 101}
(( segid "SH3 " and resid 31 and name HB1 ))
(( segid "SLP " and resid 81 and name HE ))
ASSI { 107}
(( segid "SLP " and resid 84 and name HD1 ))
(( segid "SLP " and resid 81 and name HE ))
4.400 2.400 1.600 peak 107 weight 0.10000E+01 volume 0.59933E-03 ppm1 0.553 ppm2 10.513 CV 1
OR { 107}
( segid "SH3 " and resid 30 and name HD1%)
(( segid "SLP " and resid 81 and name HE ))
ASSI { 116}
(( segid "SLP " and resid 84 and name HB1 ))
(( segid "SLP " and resid 84 and name HA ))
2.900 1.000 1.000 peak 116 weight 0.10000E+01 volume 0.26705E-02 ppm1 0.636 ppm2 3.238 CV 1
OR { 116}
( segid "SH3 " and resid 64 and name HD1%)
(( segid "SLP " and resid 84 and name HA ))
ASSI { 177}
(( segid "SH3 " and resid 55 and name HN ))
(( segid "SLP " and resid 85 and name HG2 ))
4.100 2.100 1.900 peak 177 weight 0.10000E+01 volume 0.10306E-02 ppm1 8.165 ppm2 1.858 CV 1
OR { 177}
(( segid "SH3 " and resid 50 and name HD21))
(( segid "SLP " and resid 85 and name HG2 ))
ASSI { 178}
(( segid "SLP " and resid 86 and name HN ))
(( segid "SLP " and resid 85 and name HG2 ))
2.400 2.400 3.600 peak 178 weight 0.10000E+01 volume 0.14428E-02 ppm1 7.807 ppm2 1.861 CV 1
OR { 178}
(( segid "SH3 " and resid 28 and name HN ))
(( segid "SLP " and resid 85 and name HG2 ))
ASSI { 188}
( segid "SH3 " and resid 55 and name HG2%)
(( segid "SLP " and resid 85 and name HG2 ))
4.200 2.200 1.800 peak 188 weight 0.10000E+01 volume 0.11000E-02 ppm1 1.060 ppm2 1.861 CV 1
OR { 188}
(( segid "SLP " and resid 84 and name HB2 ))
(( segid "SLP " and resid 85 and name HG2 ))
ASSI { 190}
(( segid "SH3 " and resid 50 and name HD21))
(( segid "SLP " and resid 85 and name HG1 ))
3.000 1.100 1.100 peak 190 weight 0.10000E+01 volume 0.13704E-02 ppm1 8.168 ppm2 1.777 CV 1
OR { 190}
(( segid "SH3 " and resid 55 and name HN ))
(( segid "SLP " and resid 85 and name HG1 ))
ASSI { 200}
( segid "SH3 " and resid 55 and name HG2%)
(( segid "SLP " and resid 85 and name HG1 ))
4.300 2.400 1.700 peak 200 weight 0.10000E+01 volume 0.15336E-02 ppm1 1.062 ppm2 1.776 CV 1
OR { 200}
(( segid "SLP " and resid 84 and name HB2 ))
(( segid "SLP " and resid 85 and name HG1 ))
ASSI { 203}
(( segid "SH3 " and resid 53 and name HN ))
(( segid "SLP " and resid 85 and name HG1 ))
4.500 2.500 1.500 peak 203 weight 0.10000E+01 volume 0.70725E-03 ppm1 8.280 ppm2 1.773 CV 1
OR { 203}
(( segid "SH3 " and resid 52 and name HN ))
(( segid "SLP " and resid 85 and name HG1 ))
ASSI { 215}
( segid "SH3 " and resid 69 and name HE% )
(( segid "SLP " and resid 77 and name HG2 ))
3.600 1.600 1.600 peak 215 weight 0.10000E+01 volume 0.27932E-02 ppm1 6.615 ppm2 1.416 CV 1
OR { 215}
(( segid "SH3 " and resid 68 and name HD21))
(( segid "SLP " and resid 77 and name HG2 ))
ASSI { 226}
( segid "SH3 " and resid 69 and name HE% )
(( segid "SLP " and resid 77 and name HG1 ))
3.900 1.900 1.900 peak 226 weight 0.10000E+01 volume 0.29763E-02 ppm1 6.613 ppm2 1.307 CV 1
OR { 226}
(( segid "SH3 " and resid 68 and name HD21))
(( segid "SLP " and resid 77 and name HG1 ))
ASSI { 274}
( segid "SH3 " and resid 64 and name HD2%)
(( segid "SLP " and resid 85 and name HD1 ))
3.500 1.500 1.500 peak 274 weight 0.10000E+01 volume 0.41721E-02 ppm1 0.527 ppm2 3.057 CV 1
OR { 274}
(( segid "SLP " and resid 84 and name HD1 ))
(( segid "SLP " and resid 85 and name HD1 ))
ASSI { 307}
( segid "SH3 " and resid 69 and name HE% )
(( segid "SLP " and resid 77 and name HD2 ))
3.200 1.300 1.300 peak 307 weight 0.10000E+01 volume 0.15384E-02 ppm1 6.607 ppm2 2.007 CV 1
OR { 307}
(( segid "SH3 " and resid 68 and name HD21))
(( segid "SLP " and resid 77 and name HD2 ))
ASSI { 321}
( segid "SH3 " and resid 69 and name HE% )
(( segid "SLP " and resid 77 and name HD1 ))
4.000 2.000 2.000 peak 321 weight 0.10000E+01 volume 0.18685E-02 ppm1 6.613 ppm2 1.724 CV 1
OR { 321}
(( segid "SH3 " and resid 68 and name HD21))
(( segid "SLP " and resid 77 and name HD1 ))
ASSI { 328}
(( segid "SH3 " and resid 53 and name HN ))
( segid "SLP " and resid 83 and name HG2%)
3.800 1.800 1.800 peak 328 weight 0.10000E+01 volume 0.10671E-02 ppm1 8.282 ppm2 1.008 CV 1
OR { 328}
(( segid "SH3 " and resid 52 and name HN ))
( segid "SLP " and resid 83 and name HG2%)
ASSI { 364}
(( segid "SLP " and resid 78 and name HN ))
( segid "SLP " and resid 76 and name HB% )
2.500 2.500 3.500 peak 364 weight 0.10000E+01 volume 0.94966E-03 ppm1 8.610 ppm2 0.869 CV 1
OR { 364}
(( segid "SLP " and resid 79 and name HN ))
( segid "SLP " and resid 76 and name HB% )
ASSI { 386}
( segid "SH3 " and resid 30 and name HD1%)
(( segid "SLP " and resid 81 and name HD2 ))
4.200 2.200 1.800 peak 386 weight 0.10000E+01 volume 0.68274E-03 ppm1 0.552 ppm2 3.155 CV 1
OR { 386}
(( segid "SLP " and resid 84 and name HD1 ))
(( segid "SLP " and resid 81 and name HD2 ))
ASSI { 408}
(( segid "SLP " and resid 82 and name HB2 ))
(( segid "SLP " and resid 80 and name HB1 ))
4.200 2.200 1.800 peak 408 weight 0.10000E+01 volume 0.12910E-02 ppm1 3.837 ppm2 2.954 CV 1
OR { 408}
(( segid "SLP " and resid 82 and name HB1 ))
(( segid "SLP " and resid 80 and name HB1 ))
OR { 408}
(( segid "SLP " and resid 79 and name HA ))
(( segid "SLP " and resid 80 and name HB1 ))
ASSI { 413}
(( segid "SLP " and resid 79 and name HA ))
(( segid "SLP " and resid 80 and name HB2 ))
3.600 1.600 1.600 peak 413 weight 0.10000E+01 volume 0.13794E-02 ppm1 3.840 ppm2 2.356 CV 1
OR { 413}
(( segid "SLP " and resid 82 and name HB1 ))
(( segid "SLP " and resid 80 and name HB2 ))
OR { 413}
(( segid "SLP " and resid 82 and name HB2 ))
(( segid "SLP " and resid 80 and name HB2 ))
ASSI { 418}
(( segid "SLP " and resid 83 and name HN ))
(( segid "SLP " and resid 84 and name HE2 ))
4.600 2.700 1.400 peak 418 weight 0.10000E+01 volume 0.76727E-03 ppm1 6.983 ppm2 2.104 CV 1
OR { 418}
(( segid "SH3 " and resid 53 and name HZ2 ))
(( segid "SLP " and resid 84 and name HE2 ))
ASSI { 434}
(( segid "SH3 " and resid 34 and name HG1 ))
(( segid "SLP " and resid 84 and name HE1 ))
3.600 1.600 1.600 peak 434 weight 0.10000E+01 volume 0.11762E-02 ppm1 2.394 ppm2 1.568 CV 1
OR { 434}
(( segid "SH3 " and resid 33 and name HB1 ))
(( segid "SLP " and resid 84 and name HE1 ))
ASSI { 450}
(( segid "SLP " and resid 78 and name HB1 ))
(( segid "SLP " and resid 79 and name HB ))
4.300 2.300 1.700 peak 450 weight 0.10000E+01 volume 0.12572E-02 ppm1 3.680 ppm2 1.571 CV 1
OR { 450}
(( segid "SLP " and resid 78 and name HB2 ))
(( segid "SLP " and resid 79 and name HB ))
OR { 450}
(( segid "SH3 " and resid 52 and name HB1 ))
(( segid "SLP " and resid 79 and name HB ))
ASSI { 462}
(( segid "SH3 " and resid 52 and name HB1 ))
( segid "SLP " and resid 79 and name HG2%)
3.800 1.800 1.800 peak 462 weight 0.10000E+01 volume 0.26491E-02 ppm1 3.692 ppm2 0.774 CV 1
OR { 462}
(( segid "SH3 " and resid 29 and name HA ))
( segid "SLP " and resid 79 and name HG2%)
ASSI { 474}
( segid "SH3 " and resid 69 and name HE% )
(( segid "SLP " and resid 78 and name HB2 ))
3.900 1.900 1.900 peak 474 weight 0.10000E+01 volume 0.91503E-03 ppm1 6.612 ppm2 3.680 CV 1
OR { 474}
(( segid "SH3 " and resid 68 and name HD21))
(( segid "SLP " and resid 78 and name HB1 ))
OR { 474}
(( segid "SH3 " and resid 68 and name HD21))
(( segid "SLP " and resid 78 and name HB2 ))
ASSI { 476}
(( segid "SLP " and resid 76 and name HA ))
(( segid "SLP " and resid 78 and name HB2 ))
3.800 1.800 1.800 peak 476 weight 0.10000E+01 volume 0.72040E-03 ppm1 2.956 ppm2 3.674 CV 1
OR { 476}
(( segid "SH3 " and resid 68 and name HB1 ))
(( segid "SLP " and resid 78 and name HB1 ))
OR { 476}
(( segid "SH3 " and resid 68 and name HB1 ))
(( segid "SLP " and resid 78 and name HB2 ))
OR { 476}
(( segid "SLP " and resid 76 and name HA ))
(( segid "SLP " and resid 78 and name HB1 ))
ASSI { 490}
(( segid "SLP " and resid 85 and name HD2 ))
(( segid "SLP " and resid 85 and name HA ))
3.700 1.700 1.700 peak 490 weight 0.10000E+01 volume 0.22670E-02 ppm1 3.445 ppm2 4.131 CV 1
OR { 490}
(( segid "SH3 " and resid 50 and name HB1 ))
(( segid "SLP " and resid 85 and name HA ))
ASSI { 506}
(( segid "SH3 " and resid 68 and name HB1 ))
(( segid "SLP " and resid 79 and name HA ))
3.900 1.900 1.900 peak 506 weight 0.10000E+01 volume 0.17927E-02 ppm1 2.954 ppm2 3.831 CV 1
OR { 506}
(( segid "SLP " and resid 80 and name HB1 ))
(( segid "SLP " and resid 79 and name HA ))
ASSI { 519}
(( segid "SLP " and resid 79 and name HG11))
(( segid "SLP " and resid 78 and name HA ))
2.500 2.500 3.500 peak 519 weight 0.10000E+01 volume 0.13066E-02 ppm1 0.462 ppm2 4.129 CV 1
OR { 519}
( segid "SH3 " and resid 24 and name HD1%)
(( segid "SLP " and resid 78 and name HA ))
ASSI { 525}
(( segid "SLP " and resid 83 and name HN ))
(( segid "SLP " and resid 81 and name HA ))
3.100 1.200 1.200 peak 525 weight 0.10000E+01 volume 0.20909E-02 ppm1 6.987 ppm2 3.870 CV 1
OR { 525}
(( segid "SH3 " and resid 53 and name HZ2 ))
(( segid "SLP " and resid 81 and name HA ))
ASSI { 546}
(( segid "SH3 " and resid 68 and name HD21))
(( segid "SLP " and resid 77 and name HB2 ))
2.100 2.100 3.900 peak 546 weight 0.10000E+01 volume 0.78580E-02 ppm1 6.615 ppm2 2.126 CV 1
OR { 546}
( segid "SH3 " and resid 69 and name HE% )
(( segid "SLP " and resid 77 and name HB2 ))
ASSI { 550}
(( segid "SLP " and resid 76 and name HA ))
(( segid "SLP " and resid 77 and name HB2 ))
4.000 2.000 2.000 peak 550 weight 0.10000E+01 volume 0.17108E-02 ppm1 2.962 ppm2 2.126 CV 1
OR { 550}
(( segid "SH3 " and resid 68 and name HB1 ))
(( segid "SLP " and resid 77 and name HB2 ))
ASSI { 553}
(( segid "SH3 " and resid 66 and name HB2 ))
(( segid "SLP " and resid 77 and name HB2 ))
3.900 1.900 1.900 peak 553 weight 0.10000E+01 volume 0.17340E-02 ppm1 0.872 ppm2 2.124 CV 1
OR { 553}
( segid "SLP " and resid 76 and name HB% )
(( segid "SLP " and resid 77 and name HB2 ))
ASSI { 562}
(( segid "SH3 " and resid 53 and name HB2 ))
(( segid "SLP " and resid 85 and name HB2 ))
5.000 3.100 1.000 peak 562 weight 0.10000E+01 volume 0.10997E-02 ppm1 2.659 ppm2 2.025 CV 1
OR { 562}
(( segid "SH3 " and resid 50 and name HB2 ))
(( segid "SLP " and resid 85 and name HB2 ))
ASSI { 564}
( segid "SH3 " and resid 55 and name HG2%)
(( segid "SLP " and resid 85 and name HB2 ))
3.600 1.600 1.600 peak 564 weight 0.10000E+01 volume 0.17760E-02 ppm1 1.062 ppm2 2.026 CV 1
OR { 564}
(( segid "SLP " and resid 84 and name HB2 ))
(( segid "SLP " and resid 85 and name HB2 ))
ASSI { 565}
( segid "SH3 " and resid 64 and name HD1%)
(( segid "SLP " and resid 85 and name HB2 ))
3.300 1.400 1.400 peak 565 weight 0.10000E+01 volume 0.24915E-02 ppm1 0.635 ppm2 2.027 CV 1
OR { 565}
(( segid "SLP " and resid 84 and name HB1 ))
(( segid "SLP " and resid 85 and name HB2 ))
ASSI { 579}
(( segid "SLP " and resid 86 and name HA ))
(( segid "SLP " and resid 85 and name HB1 ))
2.700 2.700 3.300 peak 579 weight 0.10000E+01 volume 0.15252E-02 ppm1 3.880 ppm2 1.779 CV 1
OR { 579}
(( segid "SH3 " and resid 63 and name HA2 ))
(( segid "SLP " and resid 85 and name HB1 ))
OR { 579}
(( segid "SLP " and resid 81 and name HA ))
(( segid "SLP " and resid 85 and name HB1 ))
ASSI { 580}
(( segid "SLP " and resid 85 and name HD2 ))
(( segid "SLP " and resid 85 and name HB1 ))
3.300 1.400 1.400 peak 580 weight 0.10000E+01 volume 0.45723E-02 ppm1 3.439 ppm2 1.780 CV 1
OR { 580}
(( segid "SH3 " and resid 50 and name HB1 ))
(( segid "SLP " and resid 85 and name HB1 ))
ASSI { 585}
( segid "SH3 " and resid 55 and name HG2%)
(( segid "SLP " and resid 85 and name HB1 ))
3.600 1.600 1.600 peak 585 weight 0.10000E+01 volume 0.23044E-02 ppm1 1.064 ppm2 1.779 CV 1
OR { 585}
(( segid "SLP " and resid 84 and name HB2 ))
(( segid "SLP " and resid 85 and name HB1 ))
ASSI { 586}
( segid "SH3 " and resid 64 and name HD1%)
(( segid "SLP " and resid 85 and name HB1 ))
3.700 1.800 1.800 peak 586 weight 0.10000E+01 volume 0.34419E-02 ppm1 0.629 ppm2 1.779 CV 1
OR { 586}
(( segid "SLP " and resid 84 and name HB1 ))
(( segid "SLP " and resid 85 and name HB1 ))
ASSI { 596}
(( segid "SH3 " and resid 68 and name HB1 ))
(( segid "SLP " and resid 77 and name HB1 ))
4.100 2.100 1.900 peak 596 weight 0.10000E+01 volume 0.12811E-02 ppm1 2.961 ppm2 1.528 CV 1
OR { 596}
(( segid "SLP " and resid 76 and name HA ))
(( segid "SLP " and resid 77 and name HB1 ))
ASSI { 599}
(( segid "SH3 " and resid 66 and name HB2 ))
(( segid "SLP " and resid 77 and name HB1 ))
4.400 2.400 1.600 peak 599 weight 0.10000E+01 volume 0.14082E-02 ppm1 0.870 ppm2 1.524 CV 1
OR { 599}
( segid "SLP " and resid 76 and name HB% )
(( segid "SLP " and resid 77 and name HB1 ))
ASSI { 610}
( segid "SH3 " and resid 30 and name HD1%)
(( segid "SLP " and resid 81 and name HG1 ))
4.300 2.300 1.700 peak 610 weight 0.10000E+01 volume 0.67031E-03 ppm1 0.550 ppm2 1.179 CV 1
OR { 610}
(( segid "SLP " and resid 84 and name HD1 ))
(( segid "SLP " and resid 81 and name HG1 ))
ASSI { 642}
(( segid "SLP " and resid 78 and name HB2 ))
(( segid "SLP " and resid 77 and name HB1 ))
3.000 3.000 3.000 peak 642 weight 0.10000E+01 volume 0.54768E-03 ppm1 3.681 ppm2 1.532 CV 1
OR { 642}
(( segid "SLP " and resid 78 and name HB1 ))
(( segid "SLP " and resid 77 and name HB1 ))
OR { 642}
(( segid "SH3 " and resid 52 and name HB1 ))
(( segid "SLP " and resid 77 and name HB1 ))
ASSI { 669}
(( segid "SLP " and resid 84 and name HB1 ))
(( segid "SLP " and resid 84 and name HG1 ))
3.500 1.600 1.600 peak 669 weight 0.10000E+01 volume 0.20134E-02 ppm1 0.630 ppm2 -0.876 CV 1
OR { 669}
( segid "SH3 " and resid 64 and name HD1%)
(( segid "SLP " and resid 84 and name HG1 ))
ASSI { 670}
(( segid "SLP " and resid 84 and name HB1 ))
(( segid "SLP " and resid 84 and name HG2 ))
2.700 0.900 0.900 peak 670 weight 0.10000E+01 volume 0.19248E-02 ppm1 0.632 ppm2 -0.165 CV 1
OR { 670}
( segid "SH3 " and resid 64 and name HD1%)
(( segid "SLP " and resid 84 and name HG2 ))
ASSI { 676}
( segid "SH3 " and resid 30 and name HD2%)
(( segid "SLP " and resid 81 and name HD2 ))
2.600 2.600 3.400 peak 676 weight 0.10000E+01 volume 0.10900E-02 ppm1 0.715 ppm2 3.155 CV 1
OR { 676}
(( segid "SH3 " and resid 35 and name HB1 ))
(( segid "SLP " and resid 81 and name HD2 ))
ASSI { 732}
(( segid "SLP " and resid 78 and name HN ))
(( segid "SLP " and resid 78 and name HB2 ))
2.100 0.600 0.600 peak 732 weight 0.10000E+01 volume 0.26620E-01 ppm1 8.609 ppm2 3.678 CV 1
OR { 732}
(( segid "SLP " and resid 78 and name HN ))
(( segid "SLP " and resid 78 and name HB1 ))
OR { 732}
(( segid "SLP " and resid 79 and name HN ))
(( segid "SLP " and resid 78 and name HB2 ))
Contact the webmaster for help, if required. Tuesday, April 30, 2024 6:55:03 AM GMT (wattos1)