NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
15251 |
1xu6   |
6419 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 186}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 8 and name HN ))
2.300 .600 .600 peak 186 spectrum 1 weight .10000E+01 volume .67992E-02 ppm1 3.985 ppm2 8.223 CV 1
ASSI { 222}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HE3 ))
2.800 1.000 1.000 peak 222 spectrum 1 weight .10000E+01 volume .19426E-02 ppm1 5.098 ppm2 7.447 CV 1
ASSI { 315}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 22 and name HB% )
2.100 .500 .500 peak 315 spectrum 1 weight .10000E+01 volume .11795E-01 ppm1 4.281 ppm2 1.301 CV 1
ASSI { 537}
( segid " " and resid 46 and name HB% )
(( segid " " and resid 50 and name HG1 ))
2.400 .700 .700 peak 537 spectrum 1 weight .10000E+01 volume .41690E-02 ppm1 1.221 ppm2 1.042 CV 1
ASSI { 585}
(( segid " " and resid 5 and name HB1 ))
(( segid " " and resid 5 and name HA ))
2.900 1.000 1.000 peak 585 spectrum 1 weight .10000E+01 volume .16541E-02 ppm1 1.527 ppm2 4.224 CV 1
OR { 585}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HA ))
ASSI { 594}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HA ))
2.200 .600 .600 peak 594 spectrum 1 weight .10000E+01 volume .76407E-02 ppm1 2.634 ppm2 4.489 CV 1
OR { 594}
(( segid " " and resid 68 and name HB1 ))
(( segid " " and resid 68 and name HA ))
ASSI { 650}
( segid " " and resid 58 and name HB% )
(( segid " " and resid 58 and name HA ))
1.800 .400 .400 peak 650 spectrum 1 weight .10000E+01 volume .23485E-01 ppm1 1.343 ppm2 4.082 CV 1
ASSI { 669}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 37 and name HA ))
2.800 1.000 1.000 peak 669 spectrum 1 weight .10000E+01 volume .17695E-02 ppm1 1.590 ppm2 4.565 CV 1
ASSI { 680}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 41 and name HN ))
3.000 1.100 1.100 peak 680 spectrum 1 weight .10000E+01 volume .13175E-02 ppm1 4.511 ppm2 9.509 CV 1
ASSI { 734}
(( segid " " and resid 41 and name HD1 ))
(( segid " " and resid 41 and name HG1 ))
2.800 1.000 1.000 peak 734 spectrum 1 weight .10000E+01 volume .18272E-02 ppm1 1.567 ppm2 1.012 CV 1
OR { 734}
(( segid " " and resid 41 and name HD2 ))
(( segid " " and resid 41 and name HG1 ))
ASSI { 739}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 15 and name HN ))
2.300 .600 .600 peak 739 spectrum 1 weight .10000E+01 volume .67847E-02 ppm1 4.322 ppm2 8.378 CV 1
ASSI { 785}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HE1 ))
2.200 .600 .600 peak 785 spectrum 1 weight .10000E+01 volume .77609E-02 ppm1 1.557 ppm2 2.926 CV 1
OR { 785}
(( segid " " and resid 37 and name HD2 ))
(( segid " " and resid 37 and name HE2 ))
OR { 785}
(( segid " " and resid 37 and name HD1 ))
(( segid " " and resid 37 and name HE1 ))
OR { 785}
(( segid " " and resid 37 and name HD1 ))
(( segid " " and resid 37 and name HE2 ))
ASSI { 827}
(( segid " " and resid 39 and name HG1 ))
( segid " " and resid 53 and name HD1%)
2.800 1.000 1.000 peak 827 spectrum 1 weight .10000E+01 volume .18801E-02 ppm1 2.032 ppm2 .608 CV 1
ASSI { 831}
(( segid " " and resid 47 and name HB1 ))
(( segid " " and resid 47 and name HN ))
2.800 1.000 1.000 peak 831 spectrum 1 weight .10000E+01 volume .17215E-02 ppm1 1.850 ppm2 8.432 CV 1
ASSI { 860}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 42 and name HA ))
3.100 1.200 1.200 peak 860 spectrum 1 weight .10000E+01 volume .10435E-02 ppm1 4.401 ppm2 5.110 CV 1
ASSI { 885}
(( segid " " and resid 39 and name HG2 ))
( segid " " and resid 53 and name HD1%)
2.800 1.000 1.000 peak 885 spectrum 1 weight .10000E+01 volume .20052E-02 ppm1 1.410 ppm2 .625 CV 1
ASSI { 1094}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 55 and name HN ))
2.700 .900 .900 peak 1094 spectrum 1 weight .10000E+01 volume .23946E-02 ppm1 1.756 ppm2 8.434 CV 1
ASSI { 1744}
(( segid " " and resid 75 and name HB1 ))
(( segid " " and resid 75 and name HA ))
2.800 1.000 1.000 peak 1744 spectrum 1 weight .10000E+01 volume .19090E-02 ppm1 2.801 ppm2 4.725 CV 1
ASSI { 1914}
(( segid " " and resid 73 and name HB2 ))
(( segid " " and resid 73 and name HA ))
2.900 1.000 1.000 peak 1914 spectrum 1 weight .10000E+01 volume .15146E-02 ppm1 2.775 ppm2 4.711 CV 1
ASSI { 1921}
(( segid " " and resid 65 and name HB ))
(( segid " " and resid 65 and name HN ))
2.600 2.600 3.400 peak 1921 spectrum 1 weight .10000E+01 volume .26014E-02 ppm1 4.168 ppm2 8.102 CV 1
ASSI { 1925}
(( segid " " and resid 51 and name HB1 ))
(( segid " " and resid 51 and name HA ))
2.800 1.000 1.000 peak 1925 spectrum 1 weight .10000E+01 volume .16830E-02 ppm1 3.854 ppm2 5.321 CV 1
ASSI { 2064}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HN ))
1.900 .500 .500 peak 2064 spectrum 1 weight .10000E+01 volume .18359E-01 ppm1 4.286 ppm2 8.071 CV 1
ASSI { 2108}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HG2 ))
3.000 1.200 1.200 peak 2108 spectrum 1 weight .10000E+01 volume .11300E-02 ppm1 3.673 ppm2 .914 CV 1
ASSI { 2250}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HN ))
2.600 .900 .900 peak 2250 spectrum 1 weight .10000E+01 volume .27312E-02 ppm1 4.171 ppm2 8.102 CV 1
ASSI { 2283}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HN ))
2.900 1.000 1.000 peak 2283 spectrum 1 weight .10000E+01 volume .16205E-02 ppm1 4.014 ppm2 8.125 CV 1
ASSI { 2304}
(( segid " " and resid 43 and name HB1 ))
(( segid " " and resid 43 and name HA ))
3.100 1.200 1.200 peak 2304 spectrum 1 weight .10000E+01 volume .10675E-02 ppm1 2.936 ppm2 4.558 CV 1
ASSI { 2366}
(( segid " " and resid 42 and name HZ2 ))
(( segid " " and resid 42 and name HE1 ))
2.700 .900 .900 peak 2366 spectrum 1 weight .10000E+01 volume .24524E-02 ppm1 7.359 ppm2 9.945 CV 1
ASSI { 2407}
(( segid " " and resid 52 and name HB ))
(( segid " " and resid 53 and name HN ))
2.400 .700 .700 peak 2407 spectrum 1 weight .10000E+01 volume .52508E-02 ppm1 4.420 ppm2 8.944 CV 1
ASSI { 2464}
( segid " " and resid 8 and name HD1%)
(( segid " " and resid 8 and name HA ))
2.600 .900 .900 peak 2464 spectrum 1 weight .10000E+01 volume .27793E-02 ppm1 .783 ppm2 4.315 CV 1
ASSI { 2502}
(( segid " " and resid 41 and name HD1 ))
(( segid " " and resid 54 and name HB2 ))
3.000 1.100 1.100 peak 2502 spectrum 1 weight .10000E+01 volume .12791E-02 ppm1 1.570 ppm2 2.242 CV 1
OR { 2502}
(( segid " " and resid 41 and name HD2 ))
(( segid " " and resid 54 and name HB2 ))
ASSI { 2513}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 37 and name HG2 ))
2.900 2.900 3.100 peak 2513 spectrum 1 weight .10000E+01 volume .13993E-02 ppm1 4.256 ppm2 1.159 CV 1
OR { 2513}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 37 and name HG1 ))
ASSI { 2529}
(( segid " " and resid 43 and name HB1 ))
( segid " " and resid 46 and name HB% )
2.700 .900 .900 peak 2529 spectrum 1 weight .10000E+01 volume .22359E-02 ppm1 2.936 ppm2 1.218 CV 1
ASSI { 2562}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HG1 ))
2.900 1.000 1.000 peak 2562 spectrum 1 weight .10000E+01 volume .15531E-02 ppm1 4.392 ppm2 1.029 CV 1
ASSI { 2569}
(( segid " " and resid 41 and name HE2 ))
(( segid " " and resid 41 and name HG1 ))
2.500 .800 .800 peak 2569 spectrum 1 weight .10000E+01 volume .39429E-02 ppm1 2.816 ppm2 1.014 CV 1
OR { 2569}
(( segid " " and resid 41 and name HE1 ))
(( segid " " and resid 41 and name HG1 ))
ASSI { 2571}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 61 and name HN ))
2.200 2.200 3.800 peak 2571 spectrum 1 weight .10000E+01 volume .89826E-02 ppm1 4.187 ppm2 7.988 CV 1
ASSI { 2603}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 36 and name HB2 ))
2.900 2.900 3.100 peak 2603 spectrum 1 weight .10000E+01 volume .14329E-02 ppm1 4.248 ppm2 2.888 CV 1
ASSI { 2631}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB1 ))
2.900 1.000 1.000 peak 2631 spectrum 1 weight .10000E+01 volume .15339E-02 ppm1 4.496 ppm2 1.723 CV 1
ASSI { 2649}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 52 and name HB ))
2.300 .600 .600 peak 2649 spectrum 1 weight .10000E+01 volume .67847E-02 ppm1 .887 ppm2 4.407 CV 1
ASSI { 2692}
(( segid " " and resid 41 and name HE1 ))
(( segid " " and resid 41 and name HG2 ))
2.600 .800 .800 peak 2692 spectrum 1 weight .10000E+01 volume .32361E-02 ppm1 2.816 ppm2 1.139 CV 1
OR { 2692}
(( segid " " and resid 41 and name HE2 ))
(( segid " " and resid 41 and name HG2 ))
ASSI { 2695}
(( segid " " and resid 41 and name HD2 ))
(( segid " " and resid 41 and name HE1 ))
2.200 .600 .600 peak 2695 spectrum 1 weight .10000E+01 volume .80254E-02 ppm1 1.584 ppm2 2.812 CV 1
OR { 2695}
(( segid " " and resid 41 and name HD1 ))
(( segid " " and resid 41 and name HE2 ))
OR { 2695}
(( segid " " and resid 41 and name HD2 ))
(( segid " " and resid 41 and name HE2 ))
ASSI { 2699}
(( segid " " and resid 41 and name HG1 ))
(( segid " " and resid 41 and name HB2 ))
2.200 .600 .600 peak 2699 spectrum 1 weight .10000E+01 volume .82561E-02 ppm1 1.032 ppm2 1.529 CV 1
OR { 2699}
(( segid " " and resid 41 and name HG1 ))
(( segid " " and resid 41 and name HB1 ))
ASSI { 2787}
(( segid " " and resid 60 and name HG2 ))
(( segid " " and resid 60 and name HN ))
3.000 1.100 1.100 peak 2787 spectrum 1 weight .10000E+01 volume .12117E-02 ppm1 1.435 ppm2 7.855 CV 1
ASSI { 2870}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB1 ))
2.500 .800 .800 peak 2870 spectrum 1 weight .10000E+01 volume .38468E-02 ppm1 4.398 ppm2 2.160 CV 1
ASSI { 3245}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 72 and name HN ))
3.200 1.300 1.300 peak 3245 spectrum 1 weight .10000E+01 volume .86553E-03 ppm1 4.293 ppm2 8.335 CV 1
ASSI { 3246}
(( segid " " and resid 72 and name HA1 ))
(( segid " " and resid 72 and name HN ))
3.000 1.100 1.100 peak 3246 spectrum 1 weight .10000E+01 volume .11541E-02 ppm1 3.913 ppm2 8.335 CV 1
OR { 3246}
(( segid " " and resid 72 and name HA2 ))
(( segid " " and resid 72 and name HN ))
ASSI { 3332}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HN ))
3.000 1.100 1.100 peak 3332 spectrum 1 weight .10000E+01 volume .11781E-02 ppm1 4.157 ppm2 8.575 CV 1
ASSI { 3342}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB1 ))
2.800 1.000 1.000 peak 3342 spectrum 1 weight .10000E+01 volume .17215E-02 ppm1 4.330 ppm2 1.950 CV 1
ASSI { 3344}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 5 and name HN ))
2.600 .900 .900 peak 3344 spectrum 1 weight .10000E+01 volume .27023E-02 ppm1 4.328 ppm2 8.160 CV 1
ASSI { 3349}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HA ))
3.100 1.200 1.200 peak 3349 spectrum 1 weight .10000E+01 volume .93764E-03 ppm1 1.913 ppm2 4.333 CV 1
ASSI { 3354}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 61 and name HG2%)
2.000 .500 .500 peak 3354 spectrum 1 weight .10000E+01 volume .12824E-01 ppm1 3.956 ppm2 .878 CV 1
ASSI { 3358}
(( segid " " and resid 24 and name HB ))
(( segid " " and resid 25 and name HN ))
2.200 .600 .600 peak 3358 spectrum 1 weight .10000E+01 volume .87178E-02 ppm1 4.503 ppm2 9.001 CV 1
ASSI { 3361}
(( segid " " and resid 24 and name HB ))
( segid " " and resid 24 and name HG2%)
2.000 .500 .500 peak 3361 spectrum 1 weight .10000E+01 volume .12079E-01 ppm1 4.502 ppm2 1.134 CV 1
ASSI { 3364}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HN ))
2.500 .800 .800 peak 3364 spectrum 1 weight .10000E+01 volume .40680E-02 ppm1 3.941 ppm2 8.982 CV 1
ASSI { 3365}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 29 and name HN ))
3.000 1.100 1.100 peak 3365 spectrum 1 weight .10000E+01 volume .11733E-02 ppm1 3.949 ppm2 8.569 CV 1
ASSI { 3366}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 28 and name HB2 ))
2.700 .900 .900 peak 3366 spectrum 1 weight .10000E+01 volume .25485E-02 ppm1 3.945 ppm2 2.696 CV 1
ASSI { 3367}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 53 and name HB2 ))
2.500 .800 .800 peak 3367 spectrum 1 weight .10000E+01 volume .39189E-02 ppm1 3.944 ppm2 1.047 CV 1
ASSI { 3368}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 53 and name HG ))
2.900 1.100 1.100 peak 3368 spectrum 1 weight .10000E+01 volume .14666E-02 ppm1 3.936 ppm2 1.274 CV 1
ASSI { 3370}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 53 and name HB1 ))
2.300 .600 .600 peak 3370 spectrum 1 weight .10000E+01 volume .66405E-02 ppm1 3.942 ppm2 1.759 CV 1
ASSI { 3371}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB1 ))
2.400 .700 .700 peak 3371 spectrum 1 weight .10000E+01 volume .42266E-02 ppm1 3.941 ppm2 2.091 CV 1
ASSI { 3372}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HG1 ))
2.900 1.000 1.000 peak 3372 spectrum 1 weight .10000E+01 volume .15628E-02 ppm1 3.940 ppm2 2.334 CV 1
ASSI { 3377}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HA ))
3.000 1.100 1.100 peak 3377 spectrum 1 weight .10000E+01 volume .12694E-02 ppm1 .798 ppm2 4.224 CV 1
ASSI { 3379}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HN ))
2.500 .800 .800 peak 3379 spectrum 1 weight .10000E+01 volume .35919E-02 ppm1 1.785 ppm2 8.996 CV 1
ASSI { 3380}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 26 and name HN ))
2.800 1.000 1.000 peak 3380 spectrum 1 weight .10000E+01 volume .17695E-02 ppm1 1.787 ppm2 8.313 CV 1
ASSI { 3381}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HA ))
2.600 .900 .900 peak 3381 spectrum 1 weight .10000E+01 volume .26110E-02 ppm1 1.786 ppm2 3.936 CV 1
ASSI { 3382}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HB1 ))
2.100 .500 .500 peak 3382 spectrum 1 weight .10000E+01 volume .10555E-01 ppm1 1.783 ppm2 2.082 CV 1
ASSI { 3383}
(( segid " " and resid 25 and name HB2 ))
(( segid " " and resid 25 and name HG1 ))
2.400 .700 .700 peak 3383 spectrum 1 weight .10000E+01 volume .50537E-02 ppm1 1.781 ppm2 2.338 CV 1
ASSI { 3387}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HB2 ))
2.400 .700 .700 peak 3387 spectrum 1 weight .10000E+01 volume .41594E-02 ppm1 2.203 ppm2 1.770 CV 1
ASSI { 3388}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 25 and name HA ))
2.900 1.100 1.100 peak 3388 spectrum 1 weight .10000E+01 volume .14474E-02 ppm1 2.195 ppm2 3.934 CV 1
ASSI { 3392}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 7 and name HG1%)
2.000 .500 .500 peak 3392 spectrum 1 weight .10000E+01 volume .12334E-01 ppm1 3.979 ppm2 .847 CV 1
OR { 3392}
(( segid " " and resid 7 and name HA ))
( segid " " and resid 7 and name HG2%)
ASSI { 3393}
(( segid " " and resid 35 and name HG1 ))
(( segid " " and resid 35 and name HA ))
2.700 .900 .900 peak 3393 spectrum 1 weight .10000E+01 volume .24764E-02 ppm1 2.141 ppm2 4.255 CV 1
ASSI { 3395}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 30 and name HG2 ))
2.600 .900 .900 peak 3395 spectrum 1 weight .10000E+01 volume .25966E-02 ppm1 4.157 ppm2 1.634 CV 1
ASSI { 3401}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB1 ))
2.200 .600 .600 peak 3401 spectrum 1 weight .10000E+01 volume .76311E-02 ppm1 4.295 ppm2 2.695 CV 1
OR { 3401}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 3402}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB2 ))
2.400 .700 .700 peak 3402 spectrum 1 weight .10000E+01 volume .47364E-02 ppm1 4.234 ppm2 2.852 CV 1
ASSI { 3403}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HE1 ))
2.500 .800 .800 peak 3403 spectrum 1 weight .10000E+01 volume .38564E-02 ppm1 4.293 ppm2 2.794 CV 1
ASSI { 3404}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 28 and name HN ))
2.200 .600 .600 peak 3404 spectrum 1 weight .10000E+01 volume .77128E-02 ppm1 2.709 ppm2 8.572 CV 1
ASSI { 3405}
(( segid " " and resid 7 and name HA ))
(( segid " " and resid 7 and name HB ))
2.400 .700 .700 peak 3405 spectrum 1 weight .10000E+01 volume .49191E-02 ppm1 3.984 ppm2 1.983 CV 1
ASSI { 3407}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HE2 ))
2.600 .900 .900 peak 3407 spectrum 1 weight .10000E+01 volume .27168E-02 ppm1 4.294 ppm2 3.042 CV 1
ASSI { 3408}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB1 ))
2.500 .800 .800 peak 3408 spectrum 1 weight .10000E+01 volume .33563E-02 ppm1 4.291 ppm2 2.496 CV 1
ASSI { 3412}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 53 and name HN ))
3.100 1.200 1.200 peak 3412 spectrum 1 weight .10000E+01 volume .10963E-02 ppm1 2.703 ppm2 8.940 CV 1
ASSI { 3414}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 32 and name HN ))
2.000 .500 .500 peak 3414 spectrum 1 weight .10000E+01 volume .12353E-01 ppm1 4.281 ppm2 8.308 CV 1
ASSI { 3415}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HN ))
2.500 .800 .800 peak 3415 spectrum 1 weight .10000E+01 volume .39189E-02 ppm1 4.285 ppm2 7.775 CV 1
ASSI { 3419}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HD22))
3.100 1.200 1.200 peak 3419 spectrum 1 weight .10000E+01 volume .98571E-03 ppm1 2.808 ppm2 8.197 CV 1
OR { 3419}
(( segid " " and resid 29 and name HB1 ))
(( segid " " and resid 29 and name HD22))
ASSI { 3420}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 30 and name HN ))
2.900 1.000 1.000 peak 3420 spectrum 1 weight .10000E+01 volume .16445E-02 ppm1 2.818 ppm2 6.978 CV 1
ASSI { 3421}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 32 and name HA ))
2.600 .800 .800 peak 3421 spectrum 1 weight .10000E+01 volume .28947E-02 ppm1 2.810 ppm2 4.713 CV 1
ASSI { 3437}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 61 and name HN ))
2.200 .600 .600 peak 3437 spectrum 1 weight .10000E+01 volume .85687E-02 ppm1 .894 ppm2 7.970 CV 1
ASSI { 3438}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 29 and name HD22))
2.700 .900 .900 peak 3438 spectrum 1 weight .10000E+01 volume .20724E-02 ppm1 .888 ppm2 8.201 CV 1
ASSI { 3441}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 29 and name HD21))
2.600 .800 .800 peak 3441 spectrum 1 weight .10000E+01 volume .29428E-02 ppm1 .887 ppm2 7.763 CV 1
ASSI { 3450}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HN ))
2.400 .700 .700 peak 3450 spectrum 1 weight .10000E+01 volume .50056E-02 ppm1 4.217 ppm2 6.978 CV 1
ASSI { 3456}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HN ))
2.500 .800 .800 peak 3456 spectrum 1 weight .10000E+01 volume .34477E-02 ppm1 1.735 ppm2 6.978 CV 1
ASSI { 3457}
(( segid " " and resid 30 and name HB2 ))
(( segid " " and resid 30 and name HB1 ))
2.000 .500 .500 peak 3457 spectrum 1 weight .10000E+01 volume .14877E-01 ppm1 1.732 ppm2 1.991 CV 1
ASSI { 3461}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HN ))
2.700 .900 .900 peak 3461 spectrum 1 weight .10000E+01 volume .25196E-02 ppm1 1.633 ppm2 6.976 CV 1
ASSI { 3462}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HA ))
2.400 2.400 3.600 peak 3462 spectrum 1 weight .10000E+01 volume .52076E-02 ppm1 1.625 ppm2 4.163 CV 1
ASSI { 3463}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HB1 ))
2.400 .700 .700 peak 3463 spectrum 1 weight .10000E+01 volume .45007E-02 ppm1 1.636 ppm2 1.992 CV 1
ASSI { 3464}
(( segid " " and resid 30 and name HG1 ))
(( segid " " and resid 30 and name HN ))
2.900 1.100 1.100 peak 3464 spectrum 1 weight .10000E+01 volume .15099E-02 ppm1 1.457 ppm2 6.974 CV 1
ASSI { 3465}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HE1 ))
2.900 1.100 1.100 peak 3465 spectrum 1 weight .10000E+01 volume .14810E-02 ppm1 1.621 ppm2 2.907 CV 1
OR { 3465}
(( segid " " and resid 30 and name HG2 ))
(( segid " " and resid 30 and name HE2 ))
ASSI { 3471}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 14 and name HG2 ))
2.300 .600 .600 peak 3471 spectrum 1 weight .10000E+01 volume .67078E-02 ppm1 3.725 ppm2 1.934 CV 1
ASSI { 3472}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 14 and name HB1 ))
2.900 1.100 1.100 peak 3472 spectrum 1 weight .10000E+01 volume .14762E-02 ppm1 3.727 ppm2 2.241 CV 1
ASSI { 3473}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 32 and name HN ))
2.800 .900 .900 peak 3473 spectrum 1 weight .10000E+01 volume .20484E-02 ppm1 1.579 ppm2 8.305 CV 1
ASSI { 3475}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HD2 ))
2.200 .600 .600 peak 3475 spectrum 1 weight .10000E+01 volume .89101E-02 ppm1 4.285 ppm2 1.767 CV 1
OR { 3475}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HD1 ))
ASSI { 3476}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HB2 ))
2.400 .700 .700 peak 3476 spectrum 1 weight .10000E+01 volume .52604E-02 ppm1 4.273 ppm2 1.575 CV 1
ASSI { 3477}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 53 and name HD1%)
3.000 1.100 1.100 peak 3477 spectrum 1 weight .10000E+01 volume .13319E-02 ppm1 3.950 ppm2 .666 CV 1
ASSI { 3478}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HN ))
2.900 1.000 1.000 peak 3478 spectrum 1 weight .10000E+01 volume .15868E-02 ppm1 4.507 ppm2 8.925 CV 1
ASSI { 3480}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 31 and name HG1 ))
2.800 1.000 1.000 peak 3480 spectrum 1 weight .10000E+01 volume .19715E-02 ppm1 2.496 ppm2 1.323 CV 1
ASSI { 3482}
(( segid " " and resid 31 and name HB1 ))
(( segid " " and resid 31 and name HB2 ))
2.200 .600 .600 peak 3482 spectrum 1 weight .10000E+01 volume .69674E-02 ppm1 2.491 ppm2 1.572 CV 1
ASSI { 3485}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 51 and name HA ))
2.700 .900 .900 peak 3485 spectrum 1 weight .10000E+01 volume .23898E-02 ppm1 3.033 ppm2 5.324 CV 1
ASSI { 3486}
(( segid " " and resid 14 and name HD2 ))
(( segid " " and resid 14 and name HD1 ))
1.600 .300 .600 peak 3486 spectrum 1 weight .10000E+01 volume .61039E-01 ppm1 3.561 ppm2 3.721 CV 1
ASSI { 3487}
(( segid " " and resid 20 and name HG1 ))
(( segid " " and resid 21 and name HN ))
2.700 .900 .900 peak 3487 spectrum 1 weight .10000E+01 volume .20773E-02 ppm1 2.291 ppm2 8.331 CV 1
OR { 3487}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 21 and name HN ))
ASSI { 3489}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 28 and name HB1 ))
2.700 .900 .900 peak 3489 spectrum 1 weight .10000E+01 volume .25629E-02 ppm1 3.455 ppm2 2.708 CV 1
ASSI { 3496}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HA ))
2.300 .700 .700 peak 3496 spectrum 1 weight .10000E+01 volume .62703E-02 ppm1 2.245 ppm2 4.312 CV 1
ASSI { 3497}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HD2 ))
3.100 1.200 1.200 peak 3497 spectrum 1 weight .10000E+01 volume .10435E-02 ppm1 2.241 ppm2 3.543 CV 1
ASSI { 3498}
( segid " " and resid 65 and name HG2%)
(( segid " " and resid 65 and name HN ))
2.800 1.000 1.000 peak 3498 spectrum 1 weight .10000E+01 volume .17887E-02 ppm1 1.164 ppm2 8.108 CV 1
ASSI { 3499}
(( segid " " and resid 30 and name HD2 ))
(( segid " " and resid 30 and name HB1 ))
2.500 .800 .800 peak 3499 spectrum 1 weight .10000E+01 volume .35246E-02 ppm1 1.633 ppm2 1.992 CV 1
OR { 3499}
(( segid " " and resid 30 and name HD1 ))
(( segid " " and resid 30 and name HB1 ))
ASSI { 3501}
(( segid " " and resid 31 and name HE2 ))
(( segid " " and resid 31 and name HD1 ))
2.200 .600 .600 peak 3501 spectrum 1 weight .10000E+01 volume .74050E-02 ppm1 3.050 ppm2 1.775 CV 1
OR { 3501}
(( segid " " and resid 31 and name HE2 ))
(( segid " " and resid 31 and name HD2 ))
ASSI { 3502}
(( segid " " and resid 31 and name HE2 ))
(( segid " " and resid 31 and name HG1 ))
2.700 .900 .900 peak 3502 spectrum 1 weight .10000E+01 volume .23273E-02 ppm1 3.050 ppm2 1.331 CV 1
ASSI { 3503}
(( segid " " and resid 31 and name HE2 ))
(( segid " " and resid 31 and name HB2 ))
3.000 1.100 1.100 peak 3503 spectrum 1 weight .10000E+01 volume .12887E-02 ppm1 3.048 ppm2 1.581 CV 1
ASSI { 3505}
(( segid " " and resid 31 and name HE1 ))
(( segid " " and resid 31 and name HD2 ))
2.200 .600 .600 peak 3505 spectrum 1 weight .10000E+01 volume .73137E-02 ppm1 2.826 ppm2 1.772 CV 1
OR { 3505}
(( segid " " and resid 31 and name HE1 ))
(( segid " " and resid 31 and name HD1 ))
ASSI { 3506}
(( segid " " and resid 31 and name HE1 ))
(( segid " " and resid 31 and name HG1 ))
2.400 .700 .700 peak 3506 spectrum 1 weight .10000E+01 volume .45969E-02 ppm1 2.817 ppm2 1.368 CV 1
ASSI { 3507}
(( segid " " and resid 31 and name HE1 ))
(( segid " " and resid 31 and name HE2 ))
1.700 .300 .500 peak 3507 spectrum 1 weight .10000E+01 volume .41199E-01 ppm1 2.824 ppm2 3.040 CV 1
ASSI { 3510}
(( segid " " and resid 31 and name HB2 ))
(( segid " " and resid 31 and name HG1 ))
2.600 .800 .800 peak 3510 spectrum 1 weight .10000E+01 volume .30149E-02 ppm1 1.578 ppm2 1.349 CV 1
ASSI { 3512}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HN ))
2.700 .900 .900 peak 3512 spectrum 1 weight .10000E+01 volume .23898E-02 ppm1 1.783 ppm2 7.772 CV 1
OR { 3512}
(( segid " " and resid 31 and name HD1 ))
(( segid " " and resid 31 and name HN ))
ASSI { 3514}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 33 and name HN ))
2.400 .700 .700 peak 3514 spectrum 1 weight .10000E+01 volume .42843E-02 ppm1 2.716 ppm2 7.856 CV 1
ASSI { 3517}
(( segid " " and resid 31 and name HD1 ))
(( segid " " and resid 31 and name HB1 ))
2.600 .800 .800 peak 3517 spectrum 1 weight .10000E+01 volume .30293E-02 ppm1 1.794 ppm2 2.486 CV 1
OR { 3517}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HB1 ))
ASSI { 3518}
(( segid " " and resid 31 and name HD1 ))
(( segid " " and resid 31 and name HG1 ))
2.400 .700 .700 peak 3518 spectrum 1 weight .10000E+01 volume .50922E-02 ppm1 1.786 ppm2 1.334 CV 1
OR { 3518}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HG1 ))
ASSI { 3519}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HB2 ))
2.600 .900 .900 peak 3519 spectrum 1 weight .10000E+01 volume .27072E-02 ppm1 1.787 ppm2 1.568 CV 1
OR { 3519}
(( segid " " and resid 31 and name HD1 ))
(( segid " " and resid 31 and name HB2 ))
ASSI { 3520}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HN ))
2.700 .900 .900 peak 3520 spectrum 1 weight .10000E+01 volume .24715E-02 ppm1 1.767 ppm2 7.773 CV 1
ASSI { 3521}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HB1 ))
2.700 .900 .900 peak 3521 spectrum 1 weight .10000E+01 volume .22936E-02 ppm1 1.772 ppm2 2.488 CV 1
ASSI { 3522}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HA ))
2.600 2.600 3.400 peak 3522 spectrum 1 weight .10000E+01 volume .31159E-02 ppm1 1.770 ppm2 4.262 CV 1
ASSI { 3523}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HE1 ))
2.800 1.000 1.000 peak 3523 spectrum 1 weight .10000E+01 volume .17887E-02 ppm1 1.760 ppm2 2.817 CV 1
ASSI { 3525}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HE2 ))
2.900 1.100 1.100 peak 3525 spectrum 1 weight .10000E+01 volume .13944E-02 ppm1 1.768 ppm2 3.041 CV 1
ASSI { 3526}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 31 and name HB2 ))
2.500 .800 .800 peak 3526 spectrum 1 weight .10000E+01 volume .39429E-02 ppm1 1.772 ppm2 1.581 CV 1
ASSI { 3527}
(( segid " " and resid 31 and name HG1 ))
(( segid " " and resid 31 and name HN ))
3.000 1.100 1.100 peak 3527 spectrum 1 weight .10000E+01 volume .13560E-02 ppm1 1.346 ppm2 7.776 CV 1
ASSI { 3531}
(( segid " " and resid 31 and name HG1 ))
(( segid " " and resid 31 and name HG2 ))
2.000 .500 .500 peak 3531 spectrum 1 weight .10000E+01 volume .12199E-01 ppm1 1.346 ppm2 1.765 CV 1
ASSI { 3536}
( segid " " and resid 58 and name HB% )
(( segid " " and resid 58 and name HN ))
2.000 .500 .500 peak 3536 spectrum 1 weight .10000E+01 volume .12983E-01 ppm1 1.342 ppm2 8.304 CV 1
ASSI { 3537}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 33 and name HN ))
2.500 .800 .800 peak 3537 spectrum 1 weight .10000E+01 volume .35967E-02 ppm1 2.803 ppm2 7.852 CV 1
ASSI { 3539}
(( segid " " and resid 32 and name HB1 ))
(( segid " " and resid 32 and name HN ))
2.600 .800 .800 peak 3539 spectrum 1 weight .10000E+01 volume .30245E-02 ppm1 2.813 ppm2 8.309 CV 1
ASSI { 3540}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HA ))
2.600 .800 .800 peak 3540 spectrum 1 weight .10000E+01 volume .29428E-02 ppm1 2.715 ppm2 4.708 CV 1
ASSI { 3541}
(( segid " " and resid 32 and name HB2 ))
(( segid " " and resid 32 and name HB1 ))
1.800 .400 .400 peak 3541 spectrum 1 weight .10000E+01 volume .29265E-01 ppm1 2.714 ppm2 2.795 CV 1
ASSI { 3545}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HN ))
2.500 .800 .800 peak 3545 spectrum 1 weight .10000E+01 volume .40487E-02 ppm1 .392 ppm2 7.852 CV 1
ASSI { 3547}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HN ))
2.500 .800 .800 peak 3547 spectrum 1 weight .10000E+01 volume .33322E-02 ppm1 2.325 ppm2 7.855 CV 1
ASSI { 3548}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 36 and name HN ))
2.700 .900 .900 peak 3548 spectrum 1 weight .10000E+01 volume .25485E-02 ppm1 2.331 ppm2 7.456 CV 1
ASSI { 3549}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB2 ))
2.400 .700 .700 peak 3549 spectrum 1 weight .10000E+01 volume .44527E-02 ppm1 2.326 ppm2 .388 CV 1
ASSI { 3550}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 36 and name HB2 ))
2.800 1.000 1.000 peak 3550 spectrum 1 weight .10000E+01 volume .18657E-02 ppm1 2.339 ppm2 2.861 CV 1
ASSI { 3551}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HG1 ))
2.500 .800 .800 peak 3551 spectrum 1 weight .10000E+01 volume .33756E-02 ppm1 2.328 ppm2 .513 CV 1
ASSI { 3552}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 33 and name HB1 ))
2.700 .900 .900 peak 3552 spectrum 1 weight .10000E+01 volume .25774E-02 ppm1 2.333 ppm2 1.007 CV 1
ASSI { 3553}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 51 and name HB1 ))
2.000 .500 .500 peak 3553 spectrum 1 weight .10000E+01 volume .12358E-01 ppm1 3.037 ppm2 3.859 CV 1
ASSI { 3554}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HB2 ))
1.800 .400 .400 peak 3554 spectrum 1 weight .10000E+01 volume .26976E-01 ppm1 2.246 ppm2 1.851 CV 1
ASSI { 3555}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 36 and name HB1 ))
2.800 1.000 1.000 peak 3555 spectrum 1 weight .10000E+01 volume .16974E-02 ppm1 2.328 ppm2 3.304 CV 1
ASSI { 3557}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 34 and name HN ))
2.900 1.000 1.000 peak 3557 spectrum 1 weight .10000E+01 volume .16637E-02 ppm1 1.011 ppm2 8.022 CV 1
ASSI { 3559}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 33 and name HG2 ))
2.600 .800 .800 peak 3559 spectrum 1 weight .10000E+01 volume .29043E-02 ppm1 1.013 ppm2 1.380 CV 1
ASSI { 3560}
(( segid " " and resid 33 and name HB1 ))
(( segid " " and resid 33 and name HB2 ))
2.100 .500 .500 peak 3560 spectrum 1 weight .10000E+01 volume .11449E-01 ppm1 1.013 ppm2 .385 CV 1
ASSI { 3562}
(( segid " " and resid 33 and name HB2 ))
(( segid " " and resid 33 and name HG2 ))
2.700 .900 .900 peak 3562 spectrum 1 weight .10000E+01 volume .21205E-02 ppm1 .392 ppm2 1.379 CV 1
ASSI { 3564}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 33 and name HE21))
2.800 1.000 1.000 peak 3564 spectrum 1 weight .10000E+01 volume .17406E-02 ppm1 1.381 ppm2 6.893 CV 1
ASSI { 3565}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 33 and name HA ))
2.800 1.000 1.000 peak 3565 spectrum 1 weight .10000E+01 volume .19282E-02 ppm1 1.387 ppm2 2.312 CV 1
ASSI { 3568}
(( segid " " and resid 33 and name HG2 ))
(( segid " " and resid 33 and name HG1 ))
2.000 .500 .500 peak 3568 spectrum 1 weight .10000E+01 volume .15858E-01 ppm1 1.391 ppm2 .511 CV 1
ASSI { 3570}
(( segid " " and resid 33 and name HG1 ))
(( segid " " and resid 33 and name HB1 ))
2.500 .800 .800 peak 3570 spectrum 1 weight .10000E+01 volume .33322E-02 ppm1 .516 ppm2 1.001 CV 1
ASSI { 3573}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HG2 ))
1.800 1.800 4.200 peak 3573 spectrum 1 weight .10000E+01 volume .22364E-01 ppm1 2.248 ppm2 1.919 CV 1
ASSI { 3574}
(( segid " " and resid 33 and name HG1 ))
(( segid " " and resid 33 and name HE21))
2.900 1.100 1.100 peak 3574 spectrum 1 weight .10000E+01 volume .15050E-02 ppm1 .517 ppm2 6.917 CV 1
ASSI { 3576}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HD2 ))
2.900 1.000 1.000 peak 3576 spectrum 1 weight .10000E+01 volume .16541E-02 ppm1 1.841 ppm2 3.550 CV 1
ASSI { 3577}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HD1 ))
3.000 1.100 1.100 peak 3577 spectrum 1 weight .10000E+01 volume .13512E-02 ppm1 1.838 ppm2 3.730 CV 1
ASSI { 3583}
(( segid " " and resid 23 and name HB1 ))
(( segid " " and resid 23 and name HN ))
2.700 .900 .900 peak 3583 spectrum 1 weight .10000E+01 volume .22648E-02 ppm1 2.154 ppm2 8.076 CV 1
ASSI { 3584}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
2.200 .600 .600 peak 3584 spectrum 1 weight .10000E+01 volume .85639E-02 ppm1 4.093 ppm2 2.596 CV 1
ASSI { 3585}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 35 and name HN ))
2.700 .900 .900 peak 3585 spectrum 1 weight .10000E+01 volume .21783E-02 ppm1 4.089 ppm2 7.380 CV 1
ASSI { 3586}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HN ))
2.500 .800 .800 peak 3586 spectrum 1 weight .10000E+01 volume .40055E-02 ppm1 4.096 ppm2 8.025 CV 1
ASSI { 3589}
(( segid " " and resid 34 and name HB2 ))
(( segid " " and resid 34 and name HD21))
2.800 1.000 1.000 peak 3589 spectrum 1 weight .10000E+01 volume .17406E-02 ppm1 2.583 ppm2 7.591 CV 1
ASSI { 3590}
(( segid " " and resid 34 and name HB1 ))
(( segid " " and resid 35 and name HN ))
2.800 1.000 1.000 peak 3590 spectrum 1 weight .10000E+01 volume .17215E-02 ppm1 2.687 ppm2 7.378 CV 1
ASSI { 3593}
(( segid " " and resid 34 and name HB1 ))
(( segid " " and resid 34 and name HA ))
2.300 2.300 3.700 peak 3593 spectrum 1 weight .10000E+01 volume .65395E-02 ppm1 2.682 ppm2 4.085 CV 1
ASSI { 3598}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB2 ))
2.200 .600 .600 peak 3598 spectrum 1 weight .10000E+01 volume .74099E-02 ppm1 4.354 ppm2 3.787 CV 1
OR { 3598}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 17 and name HB1 ))
ASSI { 3599}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 21 and name HB% )
1.900 .500 .500 peak 3599 spectrum 1 weight .10000E+01 volume .18109E-01 ppm1 4.216 ppm2 1.318 CV 1
ASSI { 3601}
(( segid " " and resid 36 and name HB1 ))
(( segid " " and resid 36 and name HN ))
2.200 .600 .600 peak 3601 spectrum 1 weight .10000E+01 volume .72656E-02 ppm1 3.314 ppm2 7.456 CV 1
ASSI { 3603}
(( segid " " and resid 29 and name HB2 ))
(( segid " " and resid 29 and name HD21))
3.100 1.200 1.200 peak 3603 spectrum 1 weight .10000E+01 volume .97127E-03 ppm1 2.803 ppm2 7.756 CV 1
OR { 3603}
(( segid " " and resid 29 and name HB1 ))
(( segid " " and resid 29 and name HD21))
ASSI { 3604}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HN ))
2.400 .700 .700 peak 3604 spectrum 1 weight .10000E+01 volume .47940E-02 ppm1 4.256 ppm2 7.391 CV 1
ASSI { 3606}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 23 and name HG1 ))
3.000 1.100 1.100 peak 3606 spectrum 1 weight .10000E+01 volume .12838E-02 ppm1 4.277 ppm2 2.244 CV 1
ASSI { 3608}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 54 and name HN ))
2.700 .900 .900 peak 3608 spectrum 1 weight .10000E+01 volume .25245E-02 ppm1 5.189 ppm2 8.576 CV 1
ASSI { 3610}
(( segid " " and resid 41 and name HB1 ))
(( segid " " and resid 42 and name HN ))
2.900 1.000 1.000 peak 3610 spectrum 1 weight .10000E+01 volume .16156E-02 ppm1 1.512 ppm2 8.629 CV 1
OR { 3610}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 42 and name HN ))
ASSI { 3611}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HB2 ))
2.000 .500 .500 peak 3611 spectrum 1 weight .10000E+01 volume .13368E-01 ppm1 4.116 ppm2 1.972 CV 1
OR { 3611}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HB1 ))
ASSI { 3614}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HG1 ))
2.300 .700 .700 peak 3614 spectrum 1 weight .10000E+01 volume .53711E-02 ppm1 4.115 ppm2 2.198 CV 1
OR { 3614}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HG2 ))
ASSI { 3615}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB2 ))
2.200 .600 .600 peak 3615 spectrum 1 weight .10000E+01 volume .88476E-02 ppm1 4.394 ppm2 1.508 CV 1
OR { 3615}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HB1 ))
ASSI { 3617}
(( segid " " and resid 35 and name HB2 ))
(( segid " " and resid 35 and name HN ))
2.600 .800 .800 peak 3617 spectrum 1 weight .10000E+01 volume .30389E-02 ppm1 1.887 ppm2 7.379 CV 1
ASSI { 3620}
(( segid " " and resid 54 and name HB1 ))
(( segid " " and resid 57 and name HN ))
3.000 1.100 1.100 peak 3620 spectrum 1 weight .10000E+01 volume .13079E-02 ppm1 2.892 ppm2 8.290 CV 1
ASSI { 3622}
(( segid " " and resid 54 and name HB1 ))
(( segid " " and resid 54 and name HB2 ))
2.000 .500 .500 peak 3622 spectrum 1 weight .10000E+01 volume .15762E-01 ppm1 2.891 ppm2 2.266 CV 1
ASSI { 3625}
( segid " " and resid 62 and name HB% )
(( segid " " and resid 62 and name HN ))
2.100 .500 .500 peak 3625 spectrum 1 weight .10000E+01 volume .10887E-01 ppm1 1.343 ppm2 8.128 CV 1
ASSI { 3626}
( segid " " and resid 58 and name HB% )
(( segid " " and resid 59 and name HN ))
2.300 .700 .700 peak 3626 spectrum 1 weight .10000E+01 volume .54432E-02 ppm1 1.343 ppm2 7.826 CV 1
ASSI { 3629}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 61 and name HB ))
2.400 .700 .700 peak 3629 spectrum 1 weight .10000E+01 volume .42747E-02 ppm1 4.080 ppm2 2.014 CV 1
ASSI { 3630}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 39 and name HB1 ))
2.800 1.000 1.000 peak 3630 spectrum 1 weight .10000E+01 volume .18897E-02 ppm1 4.079 ppm2 2.282 CV 1
ASSI { 3632}
(( segid " " and resid 58 and name HA ))
( segid " " and resid 61 and name HG2%)
2.700 .900 .900 peak 3632 spectrum 1 weight .10000E+01 volume .25821E-02 ppm1 4.079 ppm2 .880 CV 1
ASSI { 3642}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HA ))
2.800 1.000 1.000 peak 3642 spectrum 1 weight .10000E+01 volume .18657E-02 ppm1 2.286 ppm2 4.746 CV 1
ASSI { 3643}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HA ))
2.800 1.000 1.000 peak 3643 spectrum 1 weight .10000E+01 volume .16974E-02 ppm1 2.025 ppm2 4.747 CV 1
ASSI { 3656}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB2 ))
2.000 .500 .500 peak 3656 spectrum 1 weight .10000E+01 volume .12911E-01 ppm1 4.089 ppm2 1.944 CV 1
OR { 3656}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB1 ))
ASSI { 3657}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HA ))
3.000 1.100 1.100 peak 3657 spectrum 1 weight .10000E+01 volume .13175E-02 ppm1 1.450 ppm2 4.392 CV 1
ASSI { 3659}
(( segid " " and resid 47 and name HG1 ))
(( segid " " and resid 47 and name HN ))
3.000 1.100 1.100 peak 3659 spectrum 1 weight .10000E+01 volume .12309E-02 ppm1 2.137 ppm2 8.430 CV 1
OR { 3659}
(( segid " " and resid 47 and name HG2 ))
(( segid " " and resid 47 and name HN ))
ASSI { 3663}
(( segid " " and resid 54 and name HB1 ))
(( segid " " and resid 57 and name HB2 ))
2.600 .800 .800 peak 3663 spectrum 1 weight .10000E+01 volume .28947E-02 ppm1 2.897 ppm2 1.937 CV 1
OR { 3663}
(( segid " " and resid 54 and name HB1 ))
(( segid " " and resid 57 and name HB1 ))
ASSI { 3667}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HN ))
3.000 1.100 1.100 peak 3667 spectrum 1 weight .10000E+01 volume .11877E-02 ppm1 3.680 ppm2 7.590 CV 1
ASSI { 3668}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 52 and name HN ))
2.400 .700 .700 peak 3668 spectrum 1 weight .10000E+01 volume .52989E-02 ppm1 .888 ppm2 8.871 CV 1
ASSI { 3669}
( segid " " and resid 58 and name HB% )
( segid " " and resid 53 and name HD1%)
2.400 .700 .700 peak 3669 spectrum 1 weight .10000E+01 volume .47411E-02 ppm1 1.344 ppm2 .629 CV 1
ASSI { 3677}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HB1 ))
2.100 .500 .500 peak 3677 spectrum 1 weight .10000E+01 volume .10761E-01 ppm1 1.451 ppm2 2.156 CV 1
ASSI { 3678}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HN ))
2.200 .600 .600 peak 3678 spectrum 1 weight .10000E+01 volume .76983E-02 ppm1 4.136 ppm2 7.864 CV 1
ASSI { 3679}
(( segid " " and resid 52 and name HA ))
( segid " " and resid 52 and name HG2%)
2.300 .700 .700 peak 3679 spectrum 1 weight .10000E+01 volume .56500E-02 ppm1 4.559 ppm2 .882 CV 1
ASSI { 3684}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 24 and name HA ))
2.000 .500 .500 peak 3684 spectrum 1 weight .10000E+01 volume .16007E-01 ppm1 1.140 ppm2 4.492 CV 1
ASSI { 3687}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 61 and name HN ))
2.400 .700 .700 peak 3687 spectrum 1 weight .10000E+01 volume .51739E-02 ppm1 2.020 ppm2 7.976 CV 1
ASSI { 3689}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HN ))
2.500 .800 .800 peak 3689 spectrum 1 weight .10000E+01 volume .40969E-02 ppm1 3.956 ppm2 7.972 CV 1
ASSI { 3690}
( segid " " and resid 46 and name HB% )
(( segid " " and resid 50 and name HG2 ))
2.500 .800 .800 peak 3690 spectrum 1 weight .10000E+01 volume .40920E-02 ppm1 1.220 ppm2 .964 CV 1
ASSI { 3692}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB1 ))
2.200 .600 .600 peak 3692 spectrum 1 weight .10000E+01 volume .76262E-02 ppm1 4.156 ppm2 4.012 CV 1
ASSI { 3693}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB ))
2.300 .700 .700 peak 3693 spectrum 1 weight .10000E+01 volume .61116E-02 ppm1 3.956 ppm2 2.013 CV 1
ASSI { 3695}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 39 and name HD2 ))
2.900 1.000 1.000 peak 3695 spectrum 1 weight .10000E+01 volume .15484E-02 ppm1 .893 ppm2 3.501 CV 1
ASSI { 3696}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 62 and name HN ))
2.800 1.000 1.000 peak 3696 spectrum 1 weight .10000E+01 volume .18224E-02 ppm1 .895 ppm2 8.137 CV 1
ASSI { 3697}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
2.200 .600 .600 peak 3697 spectrum 1 weight .10000E+01 volume .72896E-02 ppm1 4.157 ppm2 3.805 CV 1
ASSI { 3700}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 27 and name HB2 ))
2.100 .600 .600 peak 3700 spectrum 1 weight .10000E+01 volume .10415E-01 ppm1 4.018 ppm2 3.807 CV 1
ASSI { 3705}
(( segid " " and resid 61 and name HB ))
(( segid " " and resid 62 and name HN ))
2.800 .900 .900 peak 3705 spectrum 1 weight .10000E+01 volume .20581E-02 ppm1 2.021 ppm2 8.125 CV 1
ASSI { 3715}
(( segid " " and resid 65 and name HA ))
( segid " " and resid 65 and name HG2%)
2.300 .700 .700 peak 3715 spectrum 1 weight .10000E+01 volume .60394E-02 ppm1 4.174 ppm2 1.157 CV 1
ASSI { 3717}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 64 and name HN ))
2.400 .700 .700 peak 3717 spectrum 1 weight .10000E+01 volume .45584E-02 ppm1 4.488 ppm2 8.337 CV 1
ASSI { 3718}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HN ))
2.400 .700 .700 peak 3718 spectrum 1 weight .10000E+01 volume .44334E-02 ppm1 4.493 ppm2 8.190 CV 1
ASSI { 3719}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 16 and name HN ))
2.300 .600 .600 peak 3719 spectrum 1 weight .10000E+01 volume .68328E-02 ppm1 4.195 ppm2 8.351 CV 1
ASSI { 3726}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 37 and name HN ))
2.000 .500 .500 peak 3726 spectrum 1 weight .10000E+01 volume .12464E-01 ppm1 4.239 ppm2 7.501 CV 1
ASSI { 3737}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 22 and name HN ))
1.900 .400 .400 peak 3737 spectrum 1 weight .10000E+01 volume .19575E-01 ppm1 1.307 ppm2 8.156 CV 1
ASSI { 3739}
(( segid " " and resid 54 and name HB1 ))
(( segid " " and resid 54 and name HN ))
2.600 .800 .800 peak 3739 spectrum 1 weight .10000E+01 volume .32216E-02 ppm1 2.897 ppm2 8.576 CV 1
ASSI { 3743}
(( segid " " and resid 39 and name HB1 ))
(( segid " " and resid 39 and name HG2 ))
2.400 .700 .700 peak 3743 spectrum 1 weight .10000E+01 volume .43949E-02 ppm1 2.292 ppm2 1.395 CV 1
ASSI { 3750}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HD1 ))
2.200 .600 .600 peak 3750 spectrum 1 weight .10000E+01 volume .85014E-02 ppm1 4.503 ppm2 3.720 CV 1
ASSI { 3751}
(( segid " " and resid 67 and name HB2 ))
(( segid " " and resid 67 and name HN ))
3.000 1.100 1.100 peak 3751 spectrum 1 weight .10000E+01 volume .12309E-02 ppm1 1.698 ppm2 8.107 CV 1
ASSI { 3753}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 14 and name HD2 ))
2.200 .600 .600 peak 3753 spectrum 1 weight .10000E+01 volume .73570E-02 ppm1 4.502 ppm2 3.548 CV 1
ASSI { 3758}
(( segid " " and resid 69 and name HA1 ))
(( segid " " and resid 69 and name HN ))
2.700 .900 .900 peak 3758 spectrum 1 weight .10000E+01 volume .24620E-02 ppm1 3.884 ppm2 8.236 CV 1
OR { 3758}
(( segid " " and resid 69 and name HA2 ))
(( segid " " and resid 69 and name HN ))
ASSI { 3770}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 40 and name HA ))
2.700 .900 .900 peak 3770 spectrum 1 weight .10000E+01 volume .25196E-02 ppm1 .627 ppm2 5.185 CV 1
ASSI { 3774}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 40 and name HA ))
2.300 .700 .700 peak 3774 spectrum 1 weight .10000E+01 volume .57125E-02 ppm1 4.508 ppm2 5.182 CV 1
ASSI { 3775}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 41 and name HN ))
2.200 .600 .600 peak 3775 spectrum 1 weight .10000E+01 volume .69578E-02 ppm1 5.191 ppm2 9.486 CV 1
ASSI { 3776}
(( segid " " and resid 41 and name HB1 ))
(( segid " " and resid 41 and name HN ))
2.500 .800 .800 peak 3776 spectrum 1 weight .10000E+01 volume .34477E-02 ppm1 1.519 ppm2 9.483 CV 1
OR { 3776}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HN ))
ASSI { 3777}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HN ))
2.700 .900 .900 peak 3777 spectrum 1 weight .10000E+01 volume .20773E-02 ppm1 5.191 ppm2 8.828 CV 1
ASSI { 3778}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 41 and name HN ))
2.500 .800 .800 peak 3778 spectrum 1 weight .10000E+01 volume .34525E-02 ppm1 3.458 ppm2 9.486 CV 1
ASSI { 3779}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 40 and name HN ))
2.600 2.600 3.400 peak 3779 spectrum 1 weight .10000E+01 volume .30389E-02 ppm1 3.461 ppm2 8.827 CV 1
ASSI { 3780}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 37 and name HN ))
3.100 1.200 1.200 peak 3780 spectrum 1 weight .10000E+01 volume .96168E-03 ppm1 3.458 ppm2 7.521 CV 1
ASSI { 3784}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 37 and name HN ))
2.800 1.000 1.000 peak 3784 spectrum 1 weight .10000E+01 volume .17406E-02 ppm1 2.582 ppm2 7.521 CV 1
ASSI { 3785}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HN ))
2.400 .700 .700 peak 3785 spectrum 1 weight .10000E+01 volume .49142E-02 ppm1 2.578 ppm2 8.823 CV 1
ASSI { 3786}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 41 and name HN ))
2.700 .900 .900 peak 3786 spectrum 1 weight .10000E+01 volume .22696E-02 ppm1 2.575 ppm2 9.485 CV 1
ASSI { 3789}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HN ))
2.700 .900 .900 peak 3789 spectrum 1 weight .10000E+01 volume .23994E-02 ppm1 4.385 ppm2 9.487 CV 1
ASSI { 3793}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 42 and name HN ))
2.000 .500 .500 peak 3793 spectrum 1 weight .10000E+01 volume .13435E-01 ppm1 4.393 ppm2 8.646 CV 1
ASSI { 3794}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 24 and name HN ))
2.300 .600 .600 peak 3794 spectrum 1 weight .10000E+01 volume .66693E-02 ppm1 4.395 ppm2 9.032 CV 1
ASSI { 3795}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HN ))
2.600 .800 .800 peak 3795 spectrum 1 weight .10000E+01 volume .30534E-02 ppm1 4.398 ppm2 8.066 CV 1
ASSI { 3800}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HN ))
2.600 .800 .800 peak 3800 spectrum 1 weight .10000E+01 volume .28514E-02 ppm1 2.272 ppm2 8.576 CV 1
ASSI { 3801}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 41 and name HB2 ))
2.600 .800 .800 peak 3801 spectrum 1 weight .10000E+01 volume .29043E-02 ppm1 2.279 ppm2 1.520 CV 1
ASSI { 3802}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 57 and name HB2 ))
2.900 1.000 1.000 peak 3802 spectrum 1 weight .10000E+01 volume .16445E-02 ppm1 2.271 ppm2 1.925 CV 1
OR { 3802}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 57 and name HB1 ))
ASSI { 3804}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 51 and name HA ))
2.600 .800 .800 peak 3804 spectrum 1 weight .10000E+01 volume .29428E-02 ppm1 5.101 ppm2 5.326 CV 1
ASSI { 3809}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB2 ))
2.600 .800 .800 peak 3809 spectrum 1 weight .10000E+01 volume .30197E-02 ppm1 5.099 ppm2 2.980 CV 1
ASSI { 3810}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB1 ))
2.700 .900 .900 peak 3810 spectrum 1 weight .10000E+01 volume .23514E-02 ppm1 5.102 ppm2 3.114 CV 1
ASSI { 3811}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 43 and name HN ))
2.400 .700 .700 peak 3811 spectrum 1 weight .10000E+01 volume .50056E-02 ppm1 5.098 ppm2 8.569 CV 1
ASSI { 3813}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 42 and name HN ))
2.500 .800 .800 peak 3813 spectrum 1 weight .10000E+01 volume .37122E-02 ppm1 3.133 ppm2 8.645 CV 1
ASSI { 3814}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HN ))
2.500 .800 .800 peak 3814 spectrum 1 weight .10000E+01 volume .37794E-02 ppm1 2.984 ppm2 8.641 CV 1
ASSI { 3815}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 42 and name HE3 ))
3.100 1.200 1.200 peak 3815 spectrum 1 weight .10000E+01 volume .99056E-03 ppm1 3.114 ppm2 7.435 CV 1
ASSI { 3816}
(( segid " " and resid 42 and name HB1 ))
(( segid " " and resid 42 and name HD1 ))
2.600 .900 .900 peak 3816 spectrum 1 weight .10000E+01 volume .27023E-02 ppm1 3.132 ppm2 6.962 CV 1
ASSI { 3817}
(( segid " " and resid 42 and name HB2 ))
(( segid " " and resid 42 and name HD1 ))
2.700 .900 .900 peak 3817 spectrum 1 weight .10000E+01 volume .23465E-02 ppm1 2.983 ppm2 6.965 CV 1
ASSI { 3818}
(( segid " " and resid 42 and name HE3 ))
(( segid " " and resid 42 and name HB2 ))
2.800 1.000 1.000 peak 3818 spectrum 1 weight .10000E+01 volume .16734E-02 ppm1 7.454 ppm2 3.012 CV 1
ASSI { 3819}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB1 ))
2.400 .700 .700 peak 3819 spectrum 1 weight .10000E+01 volume .46209E-02 ppm1 4.854 ppm2 2.806 CV 1
OR { 3819}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB2 ))
ASSI { 3820}
(( segid " " and resid 30 and name HB1 ))
(( segid " " and resid 30 and name HA ))
2.300 .700 .700 peak 3820 spectrum 1 weight .10000E+01 volume .57654E-02 ppm1 2.007 ppm2 4.212 CV 1
ASSI { 3835}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 22 and name HN ))
2.000 .500 .500 peak 3835 spectrum 1 weight .10000E+01 volume .14781E-01 ppm1 4.224 ppm2 8.158 CV 1
ASSI { 3840}
(( segid " " and resid 35 and name HG2 ))
(( segid " " and resid 35 and name HA ))
2.500 .800 .800 peak 3840 spectrum 1 weight .10000E+01 volume .35823E-02 ppm1 2.272 ppm2 4.242 CV 1
ASSI { 3841}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB1 ))
2.500 .800 .800 peak 3841 spectrum 1 weight .10000E+01 volume .33179E-02 ppm1 4.236 ppm2 3.300 CV 1
ASSI { 3842}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 21 and name HN ))
2.200 .600 .600 peak 3842 spectrum 1 weight .10000E+01 volume .86457E-02 ppm1 1.310 ppm2 8.298 CV 1
ASSI { 3843}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HN ))
2.600 .800 .800 peak 3843 spectrum 1 weight .10000E+01 volume .30438E-02 ppm1 1.449 ppm2 8.072 CV 1
ASSI { 3844}
(( segid " " and resid 23 and name HB2 ))
( segid " " and resid 53 and name HD1%)
2.800 1.000 1.000 peak 3844 spectrum 1 weight .10000E+01 volume .20147E-02 ppm1 1.451 ppm2 .618 CV 1
ASSI { 3851}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 54 and name HN ))
2.300 .700 .700 peak 3851 spectrum 1 weight .10000E+01 volume .59337E-02 ppm1 .627 ppm2 8.576 CV 1
ASSI { 3854}
(( segid " " and resid 36 and name HB1 ))
(( segid " " and resid 36 and name HB2 ))
2.000 .500 .500 peak 3854 spectrum 1 weight .10000E+01 volume .13445E-01 ppm1 3.317 ppm2 2.856 CV 1
ASSI { 3858}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HB2 ))
2.400 .700 .700 peak 3858 spectrum 1 weight .10000E+01 volume .50922E-02 ppm1 2.279 ppm2 1.434 CV 1
ASSI { 3860}
(( segid " " and resid 23 and name HG1 ))
(( segid " " and resid 23 and name HB2 ))
2.400 .700 .700 peak 3860 spectrum 1 weight .10000E+01 volume .42843E-02 ppm1 2.228 ppm2 1.441 CV 1
ASSI { 3866}
(( segid " " and resid 23 and name HG1 ))
(( segid " " and resid 23 and name HN ))
2.800 1.000 1.000 peak 3866 spectrum 1 weight .10000E+01 volume .18080E-02 ppm1 2.228 ppm2 8.067 CV 1
ASSI { 3872}
(( segid " " and resid 23 and name HB1 ))
( segid " " and resid 53 and name HD1%)
3.000 1.100 1.100 peak 3872 spectrum 1 weight .10000E+01 volume .12358E-02 ppm1 2.139 ppm2 .634 CV 1
ASSI { 3876}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 53 and name HN ))
2.300 .700 .700 peak 3876 spectrum 1 weight .10000E+01 volume .58519E-02 ppm1 4.555 ppm2 8.954 CV 1
ASSI { 3877}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 43 and name HD2 ))
2.500 .800 .800 peak 3877 spectrum 1 weight .10000E+01 volume .35294E-02 ppm1 .887 ppm2 7.059 CV 1
ASSI { 3891}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 54 and name HN ))
2.200 .600 .600 peak 3891 spectrum 1 weight .10000E+01 volume .75252E-02 ppm1 4.508 ppm2 8.588 CV 1
ASSI { 3892}
(( segid " " and resid 53 and name HB1 ))
(( segid " " and resid 53 and name HN ))
2.500 .800 .800 peak 3892 spectrum 1 weight .10000E+01 volume .37314E-02 ppm1 1.756 ppm2 8.948 CV 1
ASSI { 3896}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 54 and name HN ))
3.100 1.200 1.200 peak 3896 spectrum 1 weight .10000E+01 volume .10963E-02 ppm1 .720 ppm2 8.576 CV 1
ASSI { 3897}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 25 and name HN ))
2.600 .800 .800 peak 3897 spectrum 1 weight .10000E+01 volume .30966E-02 ppm1 .722 ppm2 8.988 CV 1
ASSI { 3898}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 25 and name HA ))
2.800 1.000 1.000 peak 3898 spectrum 1 weight .10000E+01 volume .19426E-02 ppm1 .721 ppm2 3.948 CV 1
ASSI { 3904}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HG2 ))
2.600 .800 .800 peak 3904 spectrum 1 weight .10000E+01 volume .30582E-02 ppm1 4.571 ppm2 1.184 CV 1
ASSI { 3908}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 39 and name HB1 ))
2.300 .600 .600 peak 3908 spectrum 1 weight .10000E+01 volume .68665E-02 ppm1 .629 ppm2 2.273 CV 1
ASSI { 3910}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HA ))
2.800 1.000 1.000 peak 3910 spectrum 1 weight .10000E+01 volume .19859E-02 ppm1 1.857 ppm2 4.572 CV 1
ASSI { 3916}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HB1 ))
1.900 .400 .400 peak 3916 spectrum 1 weight .10000E+01 volume .21032E-01 ppm1 1.861 ppm2 1.574 CV 1
ASSI { 3922}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HG1 ))
2.300 .700 .700 peak 3922 spectrum 1 weight .10000E+01 volume .56211E-02 ppm1 1.861 ppm2 1.169 CV 1
OR { 3922}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HG2 ))
ASSI { 3927}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 37 and name HN ))
2.600 2.600 3.400 peak 3927 spectrum 1 weight .10000E+01 volume .32265E-02 ppm1 1.583 ppm2 7.516 CV 1
ASSI { 3928}
(( segid " " and resid 37 and name HG2 ))
(( segid " " and resid 37 and name HN ))
2.600 .800 .800 peak 3928 spectrum 1 weight .10000E+01 volume .30245E-02 ppm1 1.172 ppm2 7.497 CV 1
OR { 3928}
(( segid " " and resid 37 and name HG1 ))
(( segid " " and resid 37 and name HN ))
ASSI { 3931}
(( segid " " and resid 36 and name HB2 ))
(( segid " " and resid 36 and name HN ))
2.200 .600 .600 peak 3931 spectrum 1 weight .10000E+01 volume .70684E-02 ppm1 2.867 ppm2 7.454 CV 1
ASSI { 3938}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 37 and name HG2 ))
2.300 .700 .700 peak 3938 spectrum 1 weight .10000E+01 volume .55874E-02 ppm1 1.584 ppm2 1.160 CV 1
OR { 3938}
(( segid " " and resid 37 and name HB1 ))
(( segid " " and resid 37 and name HG1 ))
ASSI { 3941}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HN ))
2.700 .900 .900 peak 3941 spectrum 1 weight .10000E+01 volume .24427E-02 ppm1 1.862 ppm2 7.511 CV 1
ASSI { 3955}
(( segid " " and resid 37 and name HG1 ))
(( segid " " and resid 37 and name HE2 ))
2.700 .900 .900 peak 3955 spectrum 1 weight .10000E+01 volume .21927E-02 ppm1 1.173 ppm2 2.880 CV 1
OR { 3955}
(( segid " " and resid 37 and name HG2 ))
(( segid " " and resid 37 and name HE2 ))
OR { 3955}
(( segid " " and resid 37 and name HG1 ))
(( segid " " and resid 37 and name HE1 ))
ASSI { 3961}
(( segid " " and resid 39 and name HD1 ))
(( segid " " and resid 40 and name HN ))
2.900 1.000 1.000 peak 3961 spectrum 1 weight .10000E+01 volume .16349E-02 ppm1 3.507 ppm2 8.819 CV 1
ASSI { 3962}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 47 and name HN ))
2.400 .700 .700 peak 3962 spectrum 1 weight .10000E+01 volume .49383E-02 ppm1 4.024 ppm2 8.441 CV 1
ASSI { 3967}
( segid " " and resid 46 and name HB% )
(( segid " " and resid 47 and name HN ))
2.600 .900 .900 peak 3967 spectrum 1 weight .10000E+01 volume .27648E-02 ppm1 1.221 ppm2 8.443 CV 1
ASSI { 3969}
(( segid " " and resid 38 and name HB2 ))
(( segid " " and resid 38 and name HA ))
2.800 1.000 1.000 peak 3969 spectrum 1 weight .10000E+01 volume .20388E-02 ppm1 3.764 ppm2 4.605 CV 1
ASSI { 3972}
( segid " " and resid 46 and name HB% )
(( segid " " and resid 43 and name HB2 ))
2.500 .800 .800 peak 3972 spectrum 1 weight .10000E+01 volume .41401E-02 ppm1 1.220 ppm2 2.881 CV 1
ASSI { 3976}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 46 and name HB% )
2.900 1.000 1.000 peak 3976 spectrum 1 weight .10000E+01 volume .15916E-02 ppm1 3.681 ppm2 1.204 CV 1
ASSI { 3988}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 48 and name HN ))
3.000 1.100 1.100 peak 3988 spectrum 1 weight .10000E+01 volume .12358E-02 ppm1 4.061 ppm2 7.933 CV 1
ASSI { 3990}
(( segid " " and resid 38 and name HB1 ))
(( segid " " and resid 38 and name HA ))
2.800 1.000 1.000 peak 3990 spectrum 1 weight .10000E+01 volume .19474E-02 ppm1 3.855 ppm2 4.613 CV 1
ASSI { 3991}
(( segid " " and resid 39 and name HD1 ))
(( segid " " and resid 39 and name HG1 ))
2.100 .600 .600 peak 3991 spectrum 1 weight .10000E+01 volume .97899E-02 ppm1 3.516 ppm2 2.029 CV 1
ASSI { 3992}
(( segid " " and resid 14 and name HD2 ))
(( segid " " and resid 14 and name HG2 ))
2.300 .600 .600 peak 3992 spectrum 1 weight .10000E+01 volume .66837E-02 ppm1 3.560 ppm2 1.935 CV 1
ASSI { 3998}
(( segid " " and resid 50 and name HG2 ))
(( segid " " and resid 50 and name HN ))
2.900 1.100 1.100 peak 3998 spectrum 1 weight .10000E+01 volume .14570E-02 ppm1 .943 ppm2 7.584 CV 1
ASSI { 4000}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 39 and name HB1 ))
2.400 .700 .700 peak 4000 spectrum 1 weight .10000E+01 volume .50873E-02 ppm1 3.515 ppm2 2.270 CV 1
ASSI { 4001}
(( segid " " and resid 50 and name HG1 ))
(( segid " " and resid 50 and name HN ))
3.100 1.200 1.200 peak 4001 spectrum 1 weight .10000E+01 volume .10531E-02 ppm1 1.018 ppm2 7.588 CV 1
ASSI { 4003}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HG1 ))
2.600 .800 .800 peak 4003 spectrum 1 weight .10000E+01 volume .29476E-02 ppm1 4.493 ppm2 1.339 CV 1
OR { 4003}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HG2 ))
ASSI { 4006}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 52 and name HN ))
2.200 .600 .600 peak 4006 spectrum 1 weight .10000E+01 volume .73714E-02 ppm1 5.337 ppm2 8.862 CV 1
ASSI { 4008}
(( segid " " and resid 39 and name HD2 ))
(( segid " " and resid 39 and name HG2 ))
2.300 .700 .700 peak 4008 spectrum 1 weight .10000E+01 volume .62365E-02 ppm1 3.514 ppm2 1.406 CV 1
OR { 4008}
(( segid " " and resid 39 and name HD1 ))
(( segid " " and resid 39 and name HG2 ))
ASSI { 4011}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HD1 ))
2.600 .900 .900 peak 4011 spectrum 1 weight .10000E+01 volume .27360E-02 ppm1 2.023 ppm2 3.513 CV 1
OR { 4011}
(( segid " " and resid 39 and name HB2 ))
(( segid " " and resid 39 and name HD2 ))
ASSI { 4012}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HD21))
2.800 1.000 1.000 peak 4012 spectrum 1 weight .10000E+01 volume .16877E-02 ppm1 2.755 ppm2 7.728 CV 1
OR { 4012}
(( segid " " and resid 44 and name HB1 ))
(( segid " " and resid 44 and name HD21))
ASSI { 4014}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HN ))
2.800 1.000 1.000 peak 4014 spectrum 1 weight .10000E+01 volume .17840E-02 ppm1 1.527 ppm2 8.217 CV 1
ASSI { 4016}
(( segid " " and resid 39 and name HG1 ))
(( segid " " and resid 39 and name HG2 ))
2.000 .500 .500 peak 4016 spectrum 1 weight .10000E+01 volume .13411E-01 ppm1 2.043 ppm2 1.406 CV 1
ASSI { 4017}
(( segid " " and resid 39 and name HG1 ))
(( segid " " and resid 39 and name HB1 ))
2.200 .600 .600 peak 4017 spectrum 1 weight .10000E+01 volume .69578E-02 ppm1 2.045 ppm2 2.278 CV 1
ASSI { 4018}
(( segid " " and resid 42 and name HZ2 ))
(( segid " " and resid 42 and name HH2 ))
2.200 .600 .600 peak 4018 spectrum 1 weight .10000E+01 volume .83282E-02 ppm1 7.353 ppm2 7.205 CV 1
ASSI { 4025}
(( segid " " and resid 42 and name HH2 ))
(( segid " " and resid 42 and name HZ3 ))
2.600 .800 .800 peak 4025 spectrum 1 weight .10000E+01 volume .28899E-02 ppm1 7.215 ppm2 7.081 CV 1
ASSI { 4026}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB1 ))
2.500 .800 .800 peak 4026 spectrum 1 weight .10000E+01 volume .35823E-02 ppm1 5.189 ppm2 3.455 CV 1
ASSI { 4035}
(( segid " " and resid 42 and name HZ3 ))
(( segid " " and resid 42 and name HE3 ))
3.100 1.200 1.200 peak 4035 spectrum 1 weight .10000E+01 volume .10675E-02 ppm1 7.085 ppm2 7.445 CV 1
ASSI { 4039}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 40 and name HB2 ))
2.000 .500 .500 peak 4039 spectrum 1 weight .10000E+01 volume .13867E-01 ppm1 3.457 ppm2 2.573 CV 1
ASSI { 4042}
(( segid " " and resid 44 and name HB1 ))
(( segid " " and resid 42 and name HE1 ))
2.800 1.000 1.000 peak 4042 spectrum 1 weight .10000E+01 volume .17166E-02 ppm1 2.756 ppm2 9.945 CV 1
OR { 4042}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 42 and name HE1 ))
ASSI { 4043}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HN ))
2.700 .900 .900 peak 4043 spectrum 1 weight .10000E+01 volume .23994E-02 ppm1 4.330 ppm2 7.961 CV 1
ASSI { 4045}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 40 and name HA ))
2.600 .800 .800 peak 4045 spectrum 1 weight .10000E+01 volume .29764E-02 ppm1 2.575 ppm2 5.184 CV 1
ASSI { 4049}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB1 ))
2.700 .900 .900 peak 4049 spectrum 1 weight .10000E+01 volume .25677E-02 ppm1 4.334 ppm2 1.788 CV 1
ASSI { 4050}
(( segid " " and resid 41 and name HE2 ))
(( segid " " and resid 41 and name HB2 ))
2.200 .600 .600 peak 4050 spectrum 1 weight .10000E+01 volume .71358E-02 ppm1 2.816 ppm2 1.533 CV 1
OR { 4050}
(( segid " " and resid 41 and name HE2 ))
(( segid " " and resid 41 and name HB1 ))
OR { 4050}
(( segid " " and resid 41 and name HE1 ))
(( segid " " and resid 41 and name HB1 ))
ASSI { 4053}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 29 and name HD21))
3.100 1.200 1.200 peak 4053 spectrum 1 weight .10000E+01 volume .98571E-03 ppm1 2.195 ppm2 7.757 CV 1
ASSI { 4059}
(( segid " " and resid 41 and name HB1 ))
(( segid " " and resid 41 and name HG2 ))
2.300 .700 .700 peak 4059 spectrum 1 weight .10000E+01 volume .58038E-02 ppm1 1.518 ppm2 1.139 CV 1
OR { 4059}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HG2 ))
ASSI { 4067}
(( segid " " and resid 48 and name HB1 ))
(( segid " " and resid 48 and name HD22))
2.800 1.000 1.000 peak 4067 spectrum 1 weight .10000E+01 volume .17406E-02 ppm1 2.603 ppm2 7.549 CV 1
ASSI { 4073}
(( segid " " and resid 43 and name HB1 ))
(( segid " " and resid 43 and name HD2 ))
2.800 1.000 1.000 peak 4073 spectrum 1 weight .10000E+01 volume .18368E-02 ppm1 2.938 ppm2 7.060 CV 1
ASSI { 4074}
(( segid " " and resid 43 and name HB1 ))
(( segid " " and resid 43 and name HN ))
2.900 1.100 1.100 peak 4074 spectrum 1 weight .10000E+01 volume .13608E-02 ppm1 2.943 ppm2 8.558 CV 1
ASSI { 4075}
(( segid " " and resid 43 and name HD2 ))
(( segid " " and resid 43 and name HB2 ))
2.900 1.100 1.100 peak 4075 spectrum 1 weight .10000E+01 volume .14810E-02 ppm1 7.065 ppm2 2.880 CV 1
ASSI { 4076}
(( segid " " and resid 41 and name HD1 ))
(( segid " " and resid 41 and name HA ))
3.100 1.200 1.200 peak 4076 spectrum 1 weight .10000E+01 volume .10290E-02 ppm1 1.554 ppm2 4.381 CV 1
OR { 4076}
(( segid " " and resid 41 and name HD2 ))
(( segid " " and resid 41 and name HA ))
ASSI { 4081}
(( segid " " and resid 43 and name HB2 ))
(( segid " " and resid 43 and name HN ))
3.200 1.300 1.300 peak 4081 spectrum 1 weight .10000E+01 volume .88956E-03 ppm1 2.877 ppm2 8.565 CV 1
ASSI { 4086}
(( segid " " and resid 41 and name HG2 ))
(( segid " " and resid 41 and name HA ))
3.000 1.100 1.100 peak 4086 spectrum 1 weight .10000E+01 volume .13560E-02 ppm1 1.141 ppm2 4.392 CV 1
ASSI { 4089}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HA ))
2.800 1.000 1.000 peak 4089 spectrum 1 weight .10000E+01 volume .17599E-02 ppm1 2.748 ppm2 4.316 CV 1
OR { 4089}
(( segid " " and resid 44 and name HB1 ))
(( segid " " and resid 44 and name HA ))
ASSI { 4091}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB2 ))
2.000 .500 .500 peak 4091 spectrum 1 weight .10000E+01 volume .13204E-01 ppm1 4.454 ppm2 2.564 CV 1
OR { 4091}
(( segid " " and resid 45 and name HA ))
(( segid " " and resid 45 and name HB1 ))
ASSI { 4092}
( segid " " and resid 46 and name HB% )
(( segid " " and resid 46 and name HA ))
2.000 .500 .500 peak 4092 spectrum 1 weight .10000E+01 volume .14272E-01 ppm1 1.220 ppm2 4.021 CV 1
ASSI { 4093}
(( segid " " and resid 47 and name HB1 ))
(( segid " " and resid 47 and name HA ))
2.500 .800 .800 peak 4093 spectrum 1 weight .10000E+01 volume .35871E-02 ppm1 1.846 ppm2 4.044 CV 1
ASSI { 4094}
(( segid " " and resid 48 and name HB1 ))
(( segid " " and resid 48 and name HA ))
2.800 1.000 1.000 peak 4094 spectrum 1 weight .10000E+01 volume .18850E-02 ppm1 2.599 ppm2 4.605 CV 1
ASSI { 4097}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 49 and name HD1 ))
2.400 .700 .700 peak 4097 spectrum 1 weight .10000E+01 volume .47604E-02 ppm1 4.137 ppm2 1.587 CV 1
ASSI { 4098}
(( segid " " and resid 49 and name HA ))
(( segid " " and resid 50 and name HN ))
2.300 .700 .700 peak 4098 spectrum 1 weight .10000E+01 volume .57942E-02 ppm1 4.138 ppm2 7.582 CV 1
ASSI { 4099}
(( segid " " and resid 49 and name HB1 ))
(( segid " " and resid 49 and name HA ))
2.700 .900 .900 peak 4099 spectrum 1 weight .10000E+01 volume .24571E-02 ppm1 1.648 ppm2 4.134 CV 1
ASSI { 4100}
(( segid " " and resid 49 and name HB2 ))
(( segid " " and resid 49 and name HA ))
2.800 1.000 1.000 peak 4100 spectrum 1 weight .10000E+01 volume .20003E-02 ppm1 1.566 ppm2 4.128 CV 1
ASSI { 4109}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 53 and name HD1%)
2.200 .600 .600 peak 4109 spectrum 1 weight .10000E+01 volume .82898E-02 ppm1 4.508 ppm2 .621 CV 1
ASSI { 4110}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB2 ))
2.600 .800 .800 peak 4110 spectrum 1 weight .10000E+01 volume .31448E-02 ppm1 4.512 ppm2 1.055 CV 1
ASSI { 4111}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HG ))
2.700 .900 .900 peak 4111 spectrum 1 weight .10000E+01 volume .22792E-02 ppm1 4.509 ppm2 1.270 CV 1
ASSI { 4112}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB1 ))
2.800 1.000 1.000 peak 4112 spectrum 1 weight .10000E+01 volume .19956E-02 ppm1 4.507 ppm2 1.751 CV 1
ASSI { 4114}
(( segid " " and resid 53 and name HB1 ))
(( segid " " and resid 53 and name HB2 ))
2.100 .500 .500 peak 4114 spectrum 1 weight .10000E+01 volume .11646E-01 ppm1 1.757 ppm2 1.046 CV 1
ASSI { 4115}
(( segid " " and resid 53 and name HB1 ))
(( segid " " and resid 53 and name HG ))
2.300 .700 .700 peak 4115 spectrum 1 weight .10000E+01 volume .53278E-02 ppm1 1.756 ppm2 1.275 CV 1
ASSI { 4119}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HG ))
2.400 .700 .700 peak 4119 spectrum 1 weight .10000E+01 volume .51402E-02 ppm1 1.052 ppm2 1.275 CV 1
ASSI { 4120}
(( segid " " and resid 53 and name HB2 ))
( segid " " and resid 53 and name HD2%)
2.500 .800 .800 peak 4120 spectrum 1 weight .10000E+01 volume .38179E-02 ppm1 1.052 ppm2 .699 CV 1
ASSI { 4127}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 53 and name HB1 ))
2.100 .600 .600 peak 4127 spectrum 1 weight .10000E+01 volume .98428E-02 ppm1 .723 ppm2 1.750 CV 1
ASSI { 4128}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 53 and name HG ))
2.000 .500 .500 peak 4128 spectrum 1 weight .10000E+01 volume .14873E-01 ppm1 .723 ppm2 1.284 CV 1
ASSI { 4130}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 53 and name HB2 ))
2.300 .600 .600 peak 4130 spectrum 1 weight .10000E+01 volume .66501E-02 ppm1 .627 ppm2 1.045 CV 1
ASSI { 4131}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 53 and name HG ))
2.000 .500 .500 peak 4131 spectrum 1 weight .10000E+01 volume .14012E-01 ppm1 .627 ppm2 1.301 CV 1
ASSI { 4132}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 53 and name HB1 ))
2.300 2.300 3.700 peak 4132 spectrum 1 weight .10000E+01 volume .54047E-02 ppm1 .627 ppm2 1.751 CV 1
ASSI { 4134}
(( segid " " and resid 54 and name HB2 ))
(( segid " " and resid 54 and name HA ))
2.900 1.000 1.000 peak 4134 spectrum 1 weight .10000E+01 volume .16637E-02 ppm1 2.289 ppm2 4.576 CV 1
ASSI { 4138}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 61 and name HB ))
2.000 .500 .500 peak 4138 spectrum 1 weight .10000E+01 volume .16050E-01 ppm1 .884 ppm2 2.018 CV 1
ASSI { 4139}
(( segid " " and resid 31 and name HA ))
(( segid " " and resid 31 and name HG1 ))
2.400 .700 .700 peak 4139 spectrum 1 weight .10000E+01 volume .44286E-02 ppm1 4.282 ppm2 1.336 CV 1
ASSI { 4141}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 7 and name HB ))
2.500 .800 .800 peak 4141 spectrum 1 weight .10000E+01 volume .37362E-02 ppm1 .825 ppm2 1.994 CV 1
OR { 4141}
( segid " " and resid 7 and name HG1%)
(( segid " " and resid 7 and name HB ))
ASSI { 4145}
(( segid " " and resid 8 and name HB1 ))
( segid " " and resid 8 and name HD1%)
2.900 1.000 1.000 peak 4145 spectrum 1 weight .10000E+01 volume .16253E-02 ppm1 1.514 ppm2 .786 CV 1
ASSI { 4146}
(( segid " " and resid 60 and name HG2 ))
(( segid " " and resid 60 and name HA ))
2.500 .800 .800 peak 4146 spectrum 1 weight .10000E+01 volume .33179E-02 ppm1 1.440 ppm2 4.171 CV 1
ASSI { 4172}
(( segid " " and resid 8 and name HB1 ))
(( segid " " and resid 8 and name HA ))
3.000 1.200 1.200 peak 4172 spectrum 1 weight .10000E+01 volume .11156E-02 ppm1 1.545 ppm2 4.328 CV 1
ASSI { 1630}
(( segid " " and resid 39 and name HD1 ))
( segid " " and resid 53 and name HD1%)
3.100 1.200 1.200 peak 1630 spectrum 1 weight .10000E+01 volume .92804E-03 ppm1 3.513 ppm2 .610 CV 1
OR { 1630}
(( segid " " and resid 39 and name HD2 ))
( segid " " and resid 53 and name HD1%)
ASSI { 1663}
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HA ))
2.700 .900 .900 peak 1663 spectrum 1 weight .10000E+01 volume .23514E-02 ppm1 2.705 ppm2 4.726 CV 1
ASSI { 3356}
(( segid " " and resid 24 and name HA ))
( segid " " and resid 53 and name HD2%)
2.400 .700 .700 peak 3356 spectrum 1 weight .10000E+01 volume .47268E-02 ppm1 4.500 ppm2 .701 CV 1
ASSI { 3410}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 53 and name HB1 ))
3.000 1.100 1.100 peak 3410 spectrum 1 weight .10000E+01 volume .12213E-02 ppm1 2.703 ppm2 1.763 CV 1
ASSI { 3633}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 59 and name HN ))
2.400 2.400 3.600 peak 3633 spectrum 1 weight .10000E+01 volume .52412E-02 ppm1 4.082 ppm2 7.826 CV 1
ASSI { 3671}
( segid " " and resid 58 and name HB% )
(( segid " " and resid 39 and name HB1 ))
2.700 .900 .900 peak 3671 spectrum 1 weight .10000E+01 volume .22359E-02 ppm1 1.340 ppm2 2.274 CV 1
ASSI { 3694}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 62 and name HN ))
2.200 2.200 3.800 peak 3694 spectrum 1 weight .10000E+01 volume .75541E-02 ppm1 3.955 ppm2 8.125 CV 1
ASSI { 3782}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 36 and name HA ))
2.800 1.000 1.000 peak 3782 spectrum 1 weight .10000E+01 volume .17743E-02 ppm1 2.578 ppm2 4.245 CV 1
ASSI { 3783}
(( segid " " and resid 40 and name HB2 ))
(( segid " " and resid 37 and name HB2 ))
3.100 1.200 1.200 peak 3783 spectrum 1 weight .10000E+01 volume .92320E-03 ppm1 2.572 ppm2 1.795 CV 1
ASSI { 3899}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 55 and name HA ))
2.900 1.100 1.100 peak 3899 spectrum 1 weight .10000E+01 volume .15003E-02 ppm1 .724 ppm2 4.041 CV 1
ASSI { 3909}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 39 and name HB2 ))
2.400 .700 .700 peak 3909 spectrum 1 weight .10000E+01 volume .50249E-02 ppm1 .627 ppm2 2.035 CV 1
ASSI { 3929}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 42 and name HE3 ))
2.500 .800 .800 peak 3929 spectrum 1 weight .10000E+01 volume .36592E-02 ppm1 3.032 ppm2 7.449 CV 1
ASSI { 3933}
(( segid " " and resid 51 and name HB1 ))
(( segid " " and resid 42 and name HE3 ))
2.800 1.000 1.000 peak 3933 spectrum 1 weight .10000E+01 volume .17936E-02 ppm1 3.866 ppm2 7.449 CV 1
ASSI { 3936}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 42 and name HZ3 ))
2.600 .800 .800 peak 3936 spectrum 1 weight .10000E+01 volume .32313E-02 ppm1 3.034 ppm2 7.072 CV 1
ASSI { 3968}
( segid " " and resid 46 and name HB% )
(( segid " " and resid 50 and name HN ))
2.900 1.000 1.000 peak 3968 spectrum 1 weight .10000E+01 volume .15195E-02 ppm1 1.217 ppm2 7.544 CV 1
ASSI { 4002}
(( segid " " and resid 51 and name HB1 ))
(( segid " " and resid 42 and name HZ3 ))
2.800 1.000 1.000 peak 4002 spectrum 1 weight .10000E+01 volume .18608E-02 ppm1 3.873 ppm2 7.074 CV 1
ASSI { 4007}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 42 and name HE3 ))
3.000 1.100 1.100 peak 4007 spectrum 1 weight .10000E+01 volume .13319E-02 ppm1 5.337 ppm2 7.444 CV 1
ASSI { 4037}
(( segid " " and resid 42 and name HZ2 ))
(( segid " " and resid 49 and name HB1 ))
3.000 1.100 1.100 peak 4037 spectrum 1 weight .10000E+01 volume .12069E-02 ppm1 7.349 ppm2 1.632 CV 1
OR { 4037}
(( segid " " and resid 42 and name HZ2 ))
(( segid " " and resid 49 and name HD1 ))
ASSI { 4038}
(( segid " " and resid 42 and name HZ2 ))
(( segid " " and resid 49 and name HG1 ))
3.000 1.100 1.100 peak 4038 spectrum 1 weight .10000E+01 volume .11973E-02 ppm1 7.350 ppm2 1.380 CV 1
ASSI { 4055}
(( segid " " and resid 25 and name HG2 ))
(( segid " " and resid 53 and name HN ))
2.900 1.100 1.100 peak 4055 spectrum 1 weight .10000E+01 volume .14858E-02 ppm1 2.187 ppm2 8.993 CV 1
ASSI { 4063}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HD22))
3.000 1.100 1.100 peak 4063 spectrum 1 weight .10000E+01 volume .12502E-02 ppm1 2.642 ppm2 7.552 CV 1
OR { 4063}
(( segid " " and resid 48 and name HB1 ))
(( segid " " and resid 48 and name HD22))
ASSI { 10}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HA ))
3.500 1.500 1.500 peak 10 spectrum 1 weight .10000E+01 volume .49028E-03 ppm1 8.451 ppm2 4.274 CV 1
ASSI { 72}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HA ))
2.400 2.400 3.600 peak 72 spectrum 1 weight .10000E+01 volume .49407E-02 ppm1 8.214 ppm2 4.189 CV 1
ASSI { 92}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 27 and name HA ))
4.400 2.400 1.600 peak 92 spectrum 1 weight .10000E+01 volume .12978E-03 ppm1 9.053 ppm2 4.159 CV 1
ASSI { 103}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 15 and name HB% )
3.000 1.200 1.200 peak 103 spectrum 1 weight .10000E+01 volume .11086E-02 ppm1 8.358 ppm2 1.319 CV 1
ASSI { 111}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
2.800 1.000 1.000 peak 111 spectrum 1 weight .10000E+01 volume .18818E-02 ppm1 9.010 ppm2 8.328 CV 1
ASSI { 113}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HA ))
2.800 1.000 1.000 peak 113 spectrum 1 weight .10000E+01 volume .17250E-02 ppm1 8.069 ppm2 4.607 CV 1
ASSI { 123}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 68 and name HN ))
2.500 .800 .800 peak 123 spectrum 1 weight .10000E+01 volume .34969E-02 ppm1 8.078 ppm2 8.198 CV 1
ASSI { 124}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 54 and name HB1 ))
3.300 1.400 1.400 peak 124 spectrum 1 weight .10000E+01 volume .64711E-03 ppm1 8.325 ppm2 2.275 CV 1
ASSI { 125}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HN ))
2.900 1.000 1.000 peak 125 spectrum 1 weight .10000E+01 volume .15214E-02 ppm1 7.944 ppm2 8.465 CV 1
ASSI { 138}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
3.300 1.300 1.300 peak 138 spectrum 1 weight .10000E+01 volume .73723E-03 ppm1 8.315 ppm2 4.174 CV 1
ASSI { 153}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA ))
2.600 .800 .800 peak 153 spectrum 1 weight .10000E+01 volume .31238E-02 ppm1 8.255 ppm2 4.219 CV 1
ASSI { 158}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
2.600 .800 .800 peak 158 spectrum 1 weight .10000E+01 volume .31652E-02 ppm1 8.246 ppm2 4.213 CV 1
ASSI { 160}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HA ))
2.400 .700 .700 peak 160 spectrum 1 weight .10000E+01 volume .50543E-02 ppm1 8.021 ppm2 4.170 CV 1
ASSI { 162}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.700 1.700 1.700 peak 162 spectrum 1 weight .10000E+01 volume .37492E-03 ppm1 8.242 ppm2 1.877 CV 1
ASSI { 163}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB2 ))
3.800 1.800 1.800 peak 163 spectrum 1 weight .10000E+01 volume .31364E-03 ppm1 7.968 ppm2 1.602 CV 1
ASSI { 173}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
2.500 .800 .800 peak 173 spectrum 1 weight .10000E+01 volume .32878E-02 ppm1 8.331 ppm2 4.349 CV 1
ASSI { 181}
(( segid " " and resid 42 and name HE1 ))
(( segid " " and resid 33 and name HG2 ))
3.600 1.600 1.600 peak 181 spectrum 1 weight .10000E+01 volume .40377E-03 ppm1 9.941 ppm2 .522 CV 1
ASSI { 184}
(( segid " " and resid 42 and name HE1 ))
(( segid " " and resid 33 and name HG1 ))
3.400 1.400 1.400 peak 184 spectrum 1 weight .10000E+01 volume .58402E-03 ppm1 9.940 ppm2 1.388 CV 1
ASSI { 187}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HN ))
2.500 .800 .800 peak 187 spectrum 1 weight .10000E+01 volume .32643E-02 ppm1 8.138 ppm2 8.593 CV 1
ASSI { 195}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 24 and name HN ))
3.000 1.100 1.100 peak 195 spectrum 1 weight .10000E+01 volume .12834E-02 ppm1 8.139 ppm2 9.052 CV 1
ASSI { 197}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 66 and name HN ))
3.000 1.100 1.100 peak 197 spectrum 1 weight .10000E+01 volume .11464E-02 ppm1 8.336 ppm2 8.015 CV 1
ASSI { 198}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 24 and name HN ))
3.000 1.100 1.100 peak 198 spectrum 1 weight .10000E+01 volume .11590E-02 ppm1 8.584 ppm2 9.048 CV 1
ASSI { 204}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HB2 ))
3.400 1.400 1.400 peak 204 spectrum 1 weight .10000E+01 volume .61646E-03 ppm1 8.167 ppm2 1.787 CV 1
ASSI { 205}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB1 ))
2.800 1.000 1.000 peak 205 spectrum 1 weight .10000E+01 volume .18242E-02 ppm1 8.337 ppm2 2.621 CV 1
OR { 205}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB2 ))
ASSI { 212}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HG2 ))
3.500 1.500 1.500 peak 212 spectrum 1 weight .10000E+01 volume .48668E-03 ppm1 8.166 ppm2 1.356 CV 1
OR { 212}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HG1 ))
ASSI { 213}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 62 and name HB% )
2.600 .900 .900 peak 213 spectrum 1 weight .10000E+01 volume .27471E-02 ppm1 8.217 ppm2 1.350 CV 1
ASSI { 221}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 61 and name HA ))
3.500 1.500 1.500 peak 221 spectrum 1 weight .10000E+01 volume .50471E-03 ppm1 8.336 ppm2 3.952 CV 1
ASSI { 224}
(( segid " " and resid 42 and name HE1 ))
(( segid " " and resid 44 and name HA ))
2.800 1.000 1.000 peak 224 spectrum 1 weight .10000E+01 volume .16692E-02 ppm1 9.940 ppm2 4.340 CV 1
ASSI { 225}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HD1 ))
3.300 1.400 1.400 peak 225 spectrum 1 weight .10000E+01 volume .70299E-03 ppm1 8.210 ppm2 1.636 CV 1
OR { 225}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HD2 ))
ASSI { 229}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB2 ))
3.400 1.400 1.400 peak 229 spectrum 1 weight .10000E+01 volume .61286E-03 ppm1 8.379 ppm2 1.855 CV 1
ASSI { 230}
(( segid " " and resid 42 and name HE1 ))
(( segid " " and resid 42 and name HB2 ))
3.900 1.900 1.900 peak 230 spectrum 1 weight .10000E+01 volume .26857E-03 ppm1 9.942 ppm2 3.131 CV 1
ASSI { 231}
(( segid " " and resid 64 and name HN ))
( segid " " and resid 66 and name HB% )
3.400 1.500 1.500 peak 231 spectrum 1 weight .10000E+01 volume .53896E-03 ppm1 8.336 ppm2 1.336 CV 1
ASSI { 233}
(( segid " " and resid 42 and name HE1 ))
(( segid " " and resid 42 and name HH2 ))
4.100 2.100 1.900 peak 233 spectrum 1 weight .10000E+01 volume .18927E-03 ppm1 9.940 ppm2 7.215 CV 1
ASSI { 234}
(( segid " " and resid 42 and name HE1 ))
(( segid " " and resid 42 and name HZ3 ))
3.300 3.300 2.700 peak 234 spectrum 1 weight .10000E+01 volume .69217E-03 ppm1 9.943 ppm2 7.098 CV 1
ASSI { 241}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB1 ))
3.400 1.400 1.400 peak 241 spectrum 1 weight .10000E+01 volume .57320E-03 ppm1 8.378 ppm2 2.246 CV 1
ASSI { 248}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HA ))
3.000 1.100 1.100 peak 248 spectrum 1 weight .10000E+01 volume .11572E-02 ppm1 8.233 ppm2 4.513 CV 1
ASSI { 252}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HA ))
2.600 .800 .800 peak 252 spectrum 1 weight .10000E+01 volume .28642E-02 ppm1 8.166 ppm2 4.209 CV 1
ASSI { 260}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HA ))
3.100 1.200 1.200 peak 260 spectrum 1 weight .10000E+01 volume .97334E-03 ppm1 8.565 ppm2 4.292 CV 1
ASSI { 261}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB1 ))
2.400 .700 .700 peak 261 spectrum 1 weight .10000E+01 volume .42378E-02 ppm1 7.847 ppm2 .376 CV 1
ASSI { 263}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
2.800 1.000 1.000 peak 263 spectrum 1 weight .10000E+01 volume .19305E-02 ppm1 8.324 ppm2 4.580 CV 1
ASSI { 265}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HA ))
2.200 .600 .600 peak 265 spectrum 1 weight .10000E+01 volume .80411E-02 ppm1 8.434 ppm2 4.600 CV 1
ASSI { 266}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 27 and name HB1 ))
3.500 1.500 1.500 peak 266 spectrum 1 weight .10000E+01 volume .48128E-03 ppm1 9.051 ppm2 4.033 CV 1
ASSI { 270}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
3.300 1.400 1.400 peak 270 spectrum 1 weight .10000E+01 volume .63990E-03 ppm1 8.084 ppm2 9.060 CV 1
ASSI { 274}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HB1 ))
3.500 1.500 1.500 peak 274 spectrum 1 weight .10000E+01 volume .49028E-03 ppm1 8.233 ppm2 2.632 CV 1
OR { 274}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HB2 ))
ASSI { 277}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB1 ))
3.400 1.400 1.400 peak 277 spectrum 1 weight .10000E+01 volume .57861E-03 ppm1 8.436 ppm2 2.271 CV 1
ASSI { 279}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HB2 ))
3.500 1.500 1.500 peak 279 spectrum 1 weight .10000E+01 volume .50831E-03 ppm1 8.435 ppm2 2.901 CV 1
ASSI { 285}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 24 and name HG2%)
2.900 1.100 1.100 peak 285 spectrum 1 weight .10000E+01 volume .13807E-02 ppm1 9.048 ppm2 1.142 CV 1
ASSI { 287}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HA ))
3.400 1.500 1.500 peak 287 spectrum 1 weight .10000E+01 volume .53896E-03 ppm1 8.135 ppm2 4.357 CV 1
ASSI { 288}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 55 and name HN ))
2.800 2.800 3.200 peak 288 spectrum 1 weight .10000E+01 volume .17358E-02 ppm1 8.580 ppm2 8.459 CV 1
ASSI { 290}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 26 and name HA2 ))
3.100 1.200 1.200 peak 290 spectrum 1 weight .10000E+01 volume .96616E-03 ppm1 8.566 ppm2 3.689 CV 1
ASSI { 291}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 52 and name HA ))
3.400 1.500 1.500 peak 291 spectrum 1 weight .10000E+01 volume .53175E-03 ppm1 8.562 ppm2 4.554 CV 1
ASSI { 292}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 27 and name HA ))
3.600 1.600 1.600 peak 292 spectrum 1 weight .10000E+01 volume .42540E-03 ppm1 8.565 ppm2 4.171 CV 1
ASSI { 296}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB1 ))
3.700 1.700 1.700 peak 296 spectrum 1 weight .10000E+01 volume .36231E-03 ppm1 8.244 ppm2 2.002 CV 1
ASSI { 297}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 27 and name HN ))
3.000 1.200 1.200 peak 297 spectrum 1 weight .10000E+01 volume .11211E-02 ppm1 8.566 ppm2 8.142 CV 1
ASSI { 300}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 29 and name HA ))
3.500 1.500 1.500 peak 300 spectrum 1 weight .10000E+01 volume .49930E-03 ppm1 7.776 ppm2 4.850 CV 1
ASSI { 303}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 40 and name HN ))
3.900 1.900 1.900 peak 303 spectrum 1 weight .10000E+01 volume .25416E-03 ppm1 7.517 ppm2 8.844 CV 1
ASSI { 304}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HB1 ))
2.800 .900 .900 peak 304 spectrum 1 weight .10000E+01 volume .20387E-02 ppm1 8.324 ppm2 1.952 CV 1
OR { 304}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HB2 ))
ASSI { 305}
(( segid " " and resid 48 and name HD21))
(( segid " " and resid 47 and name HB1 ))
3.800 1.800 1.800 peak 305 spectrum 1 weight .10000E+01 volume .29201E-03 ppm1 7.558 ppm2 1.843 CV 1
ASSI { 306}
(( segid " " and resid 34 and name HD21))
(( segid " " and resid 34 and name HB1 ))
2.900 1.000 1.000 peak 306 spectrum 1 weight .10000E+01 volume .16060E-02 ppm1 7.601 ppm2 2.685 CV 1
ASSI { 313}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HB2 ))
3.600 1.700 1.700 peak 313 spectrum 1 weight .10000E+01 volume .38213E-03 ppm1 8.136 ppm2 2.710 CV 1
ASSI { 318}
(( segid " " and resid 34 and name HD22))
(( segid " " and resid 34 and name HB1 ))
3.000 1.100 1.100 peak 318 spectrum 1 weight .10000E+01 volume .11734E-02 ppm1 6.782 ppm2 2.686 CV 1
ASSI { 319}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HN ))
3.700 1.700 1.700 peak 319 spectrum 1 weight .10000E+01 volume .37312E-03 ppm1 8.192 ppm2 7.970 CV 1
ASSI { 320}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
2.200 .600 .600 peak 320 spectrum 1 weight .10000E+01 volume .86575E-02 ppm1 8.363 ppm2 4.233 CV 1
ASSI { 323}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB2 ))
3.200 1.300 1.300 peak 323 spectrum 1 weight .10000E+01 volume .83637E-03 ppm1 8.304 ppm2 2.018 CV 1
ASSI { 325}
(( segid " " and resid 33 and name HE22))
(( segid " " and resid 33 and name HG1 ))
3.000 1.100 1.100 peak 325 spectrum 1 weight .10000E+01 volume .12943E-02 ppm1 6.900 ppm2 1.387 CV 1
ASSI { 327}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HA2 ))
2.900 1.000 1.000 peak 327 spectrum 1 weight .10000E+01 volume .16133E-02 ppm1 8.116 ppm2 3.881 CV 1
OR { 327}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HA1 ))
ASSI { 328}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HB2 ))
3.400 1.400 1.400 peak 328 spectrum 1 weight .10000E+01 volume .60564E-03 ppm1 8.111 ppm2 1.948 CV 1
ASSI { 329}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 66 and name HB% )
3.300 1.400 1.400 peak 329 spectrum 1 weight .10000E+01 volume .67414E-03 ppm1 8.114 ppm2 1.329 CV 1
ASSI { 330}
(( segid " " and resid 33 and name HE22))
(( segid " " and resid 33 and name HG2 ))
3.000 1.100 1.100 peak 330 spectrum 1 weight .10000E+01 volume .12293E-02 ppm1 6.902 ppm2 .521 CV 1
ASSI { 331}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HB2 ))
2.600 .800 .800 peak 331 spectrum 1 weight .10000E+01 volume .29110E-02 ppm1 8.338 ppm2 1.951 CV 1
ASSI { 333}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 9 and name HG2%)
3.500 1.500 1.500 peak 333 spectrum 1 weight .10000E+01 volume .47407E-03 ppm1 7.968 ppm2 1.120 CV 1
ASSI { 334}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
2.500 .800 .800 peak 334 spectrum 1 weight .10000E+01 volume .34139E-02 ppm1 8.052 ppm2 4.188 CV 1
ASSI { 335}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 24 and name HA ))
3.200 3.200 2.800 peak 335 spectrum 1 weight .10000E+01 volume .89943E-03 ppm1 8.136 ppm2 4.499 CV 1
ASSI { 336}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HB2 ))
2.700 .900 .900 peak 336 spectrum 1 weight .10000E+01 volume .22351E-02 ppm1 8.027 ppm2 1.009 CV 1
ASSI { 337}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB ))
3.700 1.700 1.700 peak 337 spectrum 1 weight .10000E+01 volume .36411E-03 ppm1 8.237 ppm2 1.984 CV 1
ASSI { 338}
(( segid " " and resid 42 and name HE1 ))
(( segid " " and resid 33 and name HB1 ))
3.900 1.900 1.900 peak 338 spectrum 1 weight .10000E+01 volume .23974E-03 ppm1 9.941 ppm2 .380 CV 1
ASSI { 340}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB1 ))
2.700 .900 .900 peak 340 spectrum 1 weight .10000E+01 volume .24208E-02 ppm1 8.301 ppm2 1.904 CV 1
ASSI { 341}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HG1 ))
3.300 1.400 1.400 peak 341 spectrum 1 weight .10000E+01 volume .66693E-03 ppm1 7.847 ppm2 1.388 CV 1
ASSI { 343}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA ))
2.000 .500 .500 peak 343 spectrum 1 weight .10000E+01 volume .12427E-01 ppm1 9.010 ppm2 4.500 CV 1
ASSI { 346}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 24 and name HG2%)
2.800 1.000 1.000 peak 346 spectrum 1 weight .10000E+01 volume .18746E-02 ppm1 9.009 ppm2 1.142 CV 1
ASSI { 347}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HN ))
2.400 .700 .700 peak 347 spectrum 1 weight .10000E+01 volume .42503E-02 ppm1 8.025 ppm2 7.409 CV 1
ASSI { 348}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 40 and name HN ))
3.600 1.600 1.600 peak 348 spectrum 1 weight .10000E+01 volume .39836E-03 ppm1 8.474 ppm2 8.829 CV 1
ASSI { 350}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HG2 ))
3.000 3.000 3.000 peak 350 spectrum 1 weight .10000E+01 volume .11518E-02 ppm1 9.010 ppm2 2.345 CV 1
ASSI { 352}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HN ))
2.700 .900 .900 peak 352 spectrum 1 weight .10000E+01 volume .22820E-02 ppm1 7.829 ppm2 8.321 CV 1
ASSI { 353}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HN ))
3.700 1.700 1.700 peak 353 spectrum 1 weight .10000E+01 volume .34969E-03 ppm1 8.470 ppm2 7.527 CV 1
ASSI { 354}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HA ))
3.300 1.400 1.400 peak 354 spectrum 1 weight .10000E+01 volume .64531E-03 ppm1 8.021 ppm2 2.329 CV 1
ASSI { 358}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HG1 ))
3.400 1.400 1.400 peak 358 spectrum 1 weight .10000E+01 volume .58763E-03 ppm1 8.022 ppm2 1.401 CV 1
ASSI { 363}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HB2 ))
3.700 1.700 1.700 peak 363 spectrum 1 weight .10000E+01 volume .35330E-03 ppm1 8.021 ppm2 1.878 CV 1
ASSI { 378}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HG ))
3.000 1.100 1.100 peak 378 spectrum 1 weight .10000E+01 volume .11699E-02 ppm1 8.580 ppm2 1.278 CV 1
ASSI { 379}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HB1 ))
3.300 1.300 1.300 peak 379 spectrum 1 weight .10000E+01 volume .72101E-03 ppm1 8.580 ppm2 1.044 CV 1
ASSI { 381}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HB2 ))
3.400 1.400 1.400 peak 381 spectrum 1 weight .10000E+01 volume .60564E-03 ppm1 8.579 ppm2 1.745 CV 1
ASSI { 382}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 41 and name HB2 ))
3.400 1.400 1.400 peak 382 spectrum 1 weight .10000E+01 volume .57140E-03 ppm1 8.580 ppm2 1.527 CV 1
OR { 382}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 41 and name HB1 ))
ASSI { 383}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 57 and name HB1 ))
3.700 1.700 1.700 peak 383 spectrum 1 weight .10000E+01 volume .34068E-03 ppm1 8.580 ppm2 1.936 CV 1
OR { 383}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 57 and name HB2 ))
ASSI { 386}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HG2 ))
3.700 1.700 1.700 peak 386 spectrum 1 weight .10000E+01 volume .34969E-03 ppm1 8.668 ppm2 1.156 CV 1
ASSI { 388}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA ))
3.200 1.300 1.300 peak 388 spectrum 1 weight .10000E+01 volume .86882E-03 ppm1 6.970 ppm2 4.858 CV 1
ASSI { 390}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HB2 ))
3.200 1.300 1.300 peak 390 spectrum 1 weight .10000E+01 volume .84718E-03 ppm1 7.456 ppm2 1.893 CV 1
OR { 390}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HB1 ))
ASSI { 392}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HG1 ))
3.800 1.800 1.800 peak 392 spectrum 1 weight .10000E+01 volume .31184E-03 ppm1 8.022 ppm2 2.143 CV 1
ASSI { 396}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HG2 ))
3.800 1.800 1.800 peak 396 spectrum 1 weight .10000E+01 volume .27578E-03 ppm1 8.023 ppm2 .529 CV 1
ASSI { 400}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HG1 ))
4.100 2.100 1.900 peak 400 spectrum 1 weight .10000E+01 volume .19107E-03 ppm1 7.783 ppm2 1.466 CV 1
ASSI { 407}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 56 and name HN ))
2.700 .900 .900 peak 407 spectrum 1 weight .10000E+01 volume .25001E-02 ppm1 8.439 ppm2 8.264 CV 1
ASSI { 411}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HA ))
4.100 2.100 1.900 peak 411 spectrum 1 weight .10000E+01 volume .20008E-03 ppm1 8.136 ppm2 4.275 CV 1
ASSI { 413}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 22 and name HB% )
2.500 2.500 3.500 peak 413 spectrum 1 weight .10000E+01 volume .34086E-02 ppm1 8.084 ppm2 1.297 CV 1
ASSI { 415}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HB1 ))
2.900 1.100 1.100 peak 415 spectrum 1 weight .10000E+01 volume .14564E-02 ppm1 8.337 ppm2 2.056 CV 1
ASSI { 416}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG2 ))
2.600 .800 .800 peak 416 spectrum 1 weight .10000E+01 volume .30481E-02 ppm1 8.083 ppm2 2.258 CV 1
ASSI { 424}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 25 and name HA ))
2.900 1.100 1.100 peak 424 spectrum 1 weight .10000E+01 volume .14132E-02 ppm1 8.947 ppm2 3.938 CV 1
ASSI { 428}
(( segid " " and resid 53 and name HN ))
( segid " " and resid 52 and name HG2%)
2.900 1.100 1.100 peak 428 spectrum 1 weight .10000E+01 volume .14853E-02 ppm1 8.947 ppm2 .888 CV 1
ASSI { 429}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HG1 ))
3.700 1.700 1.700 peak 429 spectrum 1 weight .10000E+01 volume .34248E-03 ppm1 7.974 ppm2 1.449 CV 1
ASSI { 432}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB2 ))
3.400 1.500 1.500 peak 432 spectrum 1 weight .10000E+01 volume .55157E-03 ppm1 7.386 ppm2 2.584 CV 1
ASSI { 435}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 42 and name HA ))
3.500 1.500 1.500 peak 435 spectrum 1 weight .10000E+01 volume .48308E-03 ppm1 8.859 ppm2 5.086 CV 1
ASSI { 439}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 36 and name HB1 ))
3.500 1.600 1.600 peak 439 spectrum 1 weight .10000E+01 volume .46145E-03 ppm1 7.391 ppm2 2.856 CV 1
ASSI { 440}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 36 and name HB2 ))
3.700 1.700 1.700 peak 440 spectrum 1 weight .10000E+01 volume .36231E-03 ppm1 7.388 ppm2 3.323 CV 1
ASSI { 446}
(( segid " " and resid 53 and name HN ))
( segid " " and resid 53 and name HD2%)
3.200 1.300 1.300 peak 446 spectrum 1 weight .10000E+01 volume .77869E-03 ppm1 8.947 ppm2 .731 CV 1
ASSI { 447}
(( segid " " and resid 53 and name HN ))
( segid " " and resid 53 and name HD1%)
3.300 1.400 1.400 peak 447 spectrum 1 weight .10000E+01 volume .67234E-03 ppm1 8.946 ppm2 .624 CV 1
ASSI { 448}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 41 and name HB1 ))
3.600 1.600 1.600 peak 448 spectrum 1 weight .10000E+01 volume .40737E-03 ppm1 8.861 ppm2 1.530 CV 1
OR { 448}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 41 and name HB2 ))
ASSI { 449}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HB1 ))
3.300 1.400 1.400 peak 449 spectrum 1 weight .10000E+01 volume .63629E-03 ppm1 8.824 ppm2 2.279 CV 1
ASSI { 451}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HG1 ))
3.400 1.400 1.400 peak 451 spectrum 1 weight .10000E+01 volume .58222E-03 ppm1 8.824 ppm2 1.414 CV 1
ASSI { 452}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 35 and name HG1 ))
2.900 1.000 1.000 peak 452 spectrum 1 weight .10000E+01 volume .15935E-02 ppm1 8.314 ppm2 2.129 CV 1
ASSI { 454}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB1 ))
2.500 .800 .800 peak 454 spectrum 1 weight .10000E+01 volume .33022E-02 ppm1 8.471 ppm2 3.855 CV 1
ASSI { 458}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HG1 ))
3.200 1.300 1.300 peak 458 spectrum 1 weight .10000E+01 volume .78049E-03 ppm1 8.313 ppm2 1.349 CV 1
ASSI { 459}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB2 ))
2.700 .900 .900 peak 459 spectrum 1 weight .10000E+01 volume .24838E-02 ppm1 8.472 ppm2 1.852 CV 1
ASSI { 461}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB1 ))
2.900 1.000 1.000 peak 461 spectrum 1 weight .10000E+01 volume .15808E-02 ppm1 8.474 ppm2 1.579 CV 1
ASSI { 463}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HG2 ))
3.200 1.300 1.300 peak 463 spectrum 1 weight .10000E+01 volume .86702E-03 ppm1 8.470 ppm2 1.179 CV 1
OR { 463}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HG1 ))
ASSI { 468}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 48 and name HB1 ))
3.800 1.800 1.800 peak 468 spectrum 1 weight .10000E+01 volume .28480E-03 ppm1 8.444 ppm2 2.596 CV 1
ASSI { 480}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HA ))
3.000 1.100 1.100 peak 480 spectrum 1 weight .10000E+01 volume .13230E-02 ppm1 8.597 ppm2 4.555 CV 1
ASSI { 483}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HB1 ))
3.300 1.400 1.400 peak 483 spectrum 1 weight .10000E+01 volume .64531E-03 ppm1 8.110 ppm2 2.057 CV 1
ASSI { 484}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB1 ))
3.000 1.100 1.100 peak 484 spectrum 1 weight .10000E+01 volume .13195E-02 ppm1 9.047 ppm2 2.155 CV 1
ASSI { 485}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HA1 ))
3.200 1.300 1.300 peak 485 spectrum 1 weight .10000E+01 volume .82195E-03 ppm1 8.296 ppm2 3.910 CV 1
OR { 485}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HA2 ))
ASSI { 486}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 54 and name HB2 ))
3.300 1.400 1.400 peak 486 spectrum 1 weight .10000E+01 volume .62908E-03 ppm1 8.317 ppm2 2.893 CV 1
ASSI { 487}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 35 and name HG2 ))
3.400 1.500 1.500 peak 487 spectrum 1 weight .10000E+01 volume .56239E-03 ppm1 8.314 ppm2 2.267 CV 1
ASSI { 488}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HA ))
2.500 2.500 3.500 peak 488 spectrum 1 weight .10000E+01 volume .40864E-02 ppm1 7.892 ppm2 4.149 CV 1
ASSI { 492}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 58 and name HB% )
3.500 1.600 1.600 peak 492 spectrum 1 weight .10000E+01 volume .45964E-03 ppm1 8.316 ppm2 1.340 CV 1
ASSI { 495}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 59 and name HD1 ))
3.600 1.600 1.600 peak 495 spectrum 1 weight .10000E+01 volume .42720E-03 ppm1 8.323 ppm2 1.614 CV 1
OR { 495}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 59 and name HD2 ))
ASSI { 505}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 35 and name HN ))
3.300 1.300 1.300 peak 505 spectrum 1 weight .10000E+01 volume .73903E-03 ppm1 7.846 ppm2 7.381 CV 1
ASSI { 507}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA2 ))
2.600 .900 .900 peak 507 spectrum 1 weight .10000E+01 volume .27308E-02 ppm1 8.137 ppm2 3.698 CV 1
ASSI { 524}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 32 and name HN ))
3.400 1.500 1.500 peak 524 spectrum 1 weight .10000E+01 volume .52814E-03 ppm1 7.776 ppm2 8.327 CV 1
ASSI { 539}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HG2 ))
3.300 1.300 1.300 peak 539 spectrum 1 weight .10000E+01 volume .71560E-03 ppm1 7.974 ppm2 1.339 CV 1
ASSI { 545}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB2 ))
2.500 .800 .800 peak 545 spectrum 1 weight .10000E+01 volume .40701E-02 ppm1 8.567 ppm2 2.701 CV 1
ASSI { 546}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 35 and name HN ))
3.600 1.600 1.600 peak 546 spectrum 1 weight .10000E+01 volume .39475E-03 ppm1 8.317 ppm2 7.396 CV 1
ASSI { 547}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 40 and name HA ))
3.800 1.800 1.800 peak 547 spectrum 1 weight .10000E+01 volume .29021E-03 ppm1 8.858 ppm2 5.200 CV 1
ASSI { 548}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 42 and name HZ3 ))
3.300 1.400 1.400 peak 548 spectrum 1 weight .10000E+01 volume .69037E-03 ppm1 7.846 ppm2 7.093 CV 1
ASSI { 549}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 24 and name HG2%)
3.500 1.500 1.500 peak 549 spectrum 1 weight .10000E+01 volume .52634E-03 ppm1 8.134 ppm2 1.145 CV 1
ASSI { 550}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HN ))
3.500 1.500 1.500 peak 550 spectrum 1 weight .10000E+01 volume .47947E-03 ppm1 7.848 ppm2 8.320 CV 1
ASSI { 551}
(( segid " " and resid 26 and name HN ))
( segid " " and resid 24 and name HG2%)
3.400 1.400 1.400 peak 551 spectrum 1 weight .10000E+01 volume .59484E-03 ppm1 8.317 ppm2 1.142 CV 1
ASSI { 553}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HN ))
2.700 .900 .900 peak 553 spectrum 1 weight .10000E+01 volume .22351E-02 ppm1 8.564 ppm2 6.980 CV 1
ASSI { 554}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HD22))
2.800 1.000 1.000 peak 554 spectrum 1 weight .10000E+01 volume .17755E-02 ppm1 8.565 ppm2 8.223 CV 1
ASSI { 555}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HD21))
3.100 1.200 1.200 peak 555 spectrum 1 weight .10000E+01 volume .10472E-02 ppm1 8.564 ppm2 7.775 CV 1
ASSI { 556}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 34 and name HN ))
3.400 1.500 1.500 peak 556 spectrum 1 weight .10000E+01 volume .56058E-03 ppm1 7.455 ppm2 8.034 CV 1
ASSI { 559}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB2 ))
3.100 1.200 1.200 peak 559 spectrum 1 weight .10000E+01 volume .96975E-03 ppm1 8.583 ppm2 3.805 CV 1
ASSI { 560}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 25 and name HA ))
3.200 1.300 1.300 peak 560 spectrum 1 weight .10000E+01 volume .86341E-03 ppm1 8.583 ppm2 3.951 CV 1
ASSI { 562}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 37 and name HG2 ))
3.700 1.700 1.700 peak 562 spectrum 1 weight .10000E+01 volume .33527E-03 ppm1 7.453 ppm2 1.170 CV 1
OR { 562}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 37 and name HG1 ))
ASSI { 565}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HE1 ))
3.300 1.300 1.300 peak 565 spectrum 1 weight .10000E+01 volume .74625E-03 ppm1 7.776 ppm2 3.051 CV 1
ASSI { 566}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HE2 ))
3.400 1.400 1.400 peak 566 spectrum 1 weight .10000E+01 volume .60564E-03 ppm1 7.778 ppm2 2.813 CV 1
ASSI { 567}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 61 and name HN ))
2.900 1.100 1.100 peak 567 spectrum 1 weight .10000E+01 volume .13735E-02 ppm1 8.214 ppm2 7.993 CV 1
ASSI { 568}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HB1 ))
3.600 1.600 1.600 peak 568 spectrum 1 weight .10000E+01 volume .39655E-03 ppm1 7.781 ppm2 2.006 CV 1
ASSI { 569}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HN ))
2.600 .800 .800 peak 569 spectrum 1 weight .10000E+01 volume .29417E-02 ppm1 7.777 ppm2 6.974 CV 1
ASSI { 571}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 54 and name HN ))
3.200 1.300 1.300 peak 571 spectrum 1 weight .10000E+01 volume .81474E-03 ppm1 8.948 ppm2 8.594 CV 1
ASSI { 572}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HA ))
2.900 1.000 1.000 peak 572 spectrum 1 weight .10000E+01 volume .16367E-02 ppm1 8.825 ppm2 4.759 CV 1
ASSI { 574}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 41 and name HN ))
3.600 1.600 1.600 peak 574 spectrum 1 weight .10000E+01 volume .40196E-03 ppm1 8.826 ppm2 9.498 CV 1
ASSI { 575}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 41 and name HN ))
3.400 1.500 1.500 peak 575 spectrum 1 weight .10000E+01 volume .54076E-03 ppm1 8.583 ppm2 9.494 CV 1
ASSI { 580}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 35 and name HB2 ))
2.900 2.900 3.100 peak 580 spectrum 1 weight .10000E+01 volume .15610E-02 ppm1 8.316 ppm2 1.879 CV 1
ASSI { 581}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB1 ))
3.300 1.400 1.400 peak 581 spectrum 1 weight .10000E+01 volume .67234E-03 ppm1 8.314 ppm2 2.487 CV 1
ASSI { 582}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA ))
3.300 1.400 1.400 peak 582 spectrum 1 weight .10000E+01 volume .62908E-03 ppm1 8.316 ppm2 3.945 CV 1
ASSI { 583}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB1 ))
3.400 1.400 1.400 peak 583 spectrum 1 weight .10000E+01 volume .61286E-03 ppm1 7.517 ppm2 2.879 CV 1
ASSI { 586}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 28 and name HB1 ))
3.700 1.700 1.700 peak 586 spectrum 1 weight .10000E+01 volume .37132E-03 ppm1 9.497 ppm2 2.706 CV 1
ASSI { 588}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 24 and name HB ))
2.600 .800 .800 peak 588 spectrum 1 weight .10000E+01 volume .30481E-02 ppm1 8.315 ppm2 4.493 CV 1
ASSI { 590}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 46 and name HB% )
3.200 1.300 1.300 peak 590 spectrum 1 weight .10000E+01 volume .83096E-03 ppm1 7.944 ppm2 1.227 CV 1
ASSI { 591}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HG2 ))
3.300 1.400 1.400 peak 591 spectrum 1 weight .10000E+01 volume .62908E-03 ppm1 9.048 ppm2 2.271 CV 1
ASSI { 592}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB2 ))
3.200 1.300 1.300 peak 592 spectrum 1 weight .10000E+01 volume .86341E-03 ppm1 9.048 ppm2 1.454 CV 1
ASSI { 593}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 27 and name HB2 ))
3.200 1.300 1.300 peak 593 spectrum 1 weight .10000E+01 volume .78950E-03 ppm1 9.052 ppm2 3.813 CV 1
ASSI { 596}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HG ))
3.500 1.500 1.500 peak 596 spectrum 1 weight .10000E+01 volume .46686E-03 ppm1 8.253 ppm2 1.530 CV 1
ASSI { 599}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HB2 ))
3.900 1.900 1.900 peak 599 spectrum 1 weight .10000E+01 volume .27038E-03 ppm1 8.116 ppm2 1.816 CV 1
ASSI { 600}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
2.500 .800 .800 peak 600 spectrum 1 weight .10000E+01 volume .37240E-02 ppm1 8.177 ppm2 4.217 CV 1
ASSI { 601}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HA ))
2.300 .700 .700 peak 601 spectrum 1 weight .10000E+01 volume .57933E-02 ppm1 8.314 ppm2 4.115 CV 1
ASSI { 602}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HD1 ))
4.200 2.200 1.800 peak 602 spectrum 1 weight .10000E+01 volume .16403E-03 ppm1 7.974 ppm2 1.583 CV 1
OR { 602}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HD2 ))
ASSI { 603}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 52 and name HN ))
2.900 1.000 1.000 peak 603 spectrum 1 weight .10000E+01 volume .16223E-02 ppm1 9.489 ppm2 8.863 CV 1
ASSI { 609}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 52 and name HG2%)
3.800 1.800 1.800 peak 609 spectrum 1 weight .10000E+01 volume .31184E-03 ppm1 9.492 ppm2 .884 CV 1
ASSI { 610}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 51 and name HA ))
3.600 1.600 1.600 peak 610 spectrum 1 weight .10000E+01 volume .41458E-03 ppm1 9.490 ppm2 5.332 CV 1
ASSI { 612}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB1 ))
3.200 1.300 1.300 peak 612 spectrum 1 weight .10000E+01 volume .83637E-03 ppm1 8.305 ppm2 1.905 CV 1
ASSI { 615}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 25 and name HG1 ))
3.400 1.500 1.500 peak 615 spectrum 1 weight .10000E+01 volume .53716E-03 ppm1 8.216 ppm2 2.198 CV 1
ASSI { 616}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 29 and name HA ))
2.500 2.500 3.500 peak 616 spectrum 1 weight .10000E+01 volume .39727E-02 ppm1 8.215 ppm2 4.854 CV 1
ASSI { 617}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 52 and name HA ))
2.900 1.000 1.000 peak 617 spectrum 1 weight .10000E+01 volume .15249E-02 ppm1 8.214 ppm2 4.555 CV 1
ASSI { 618}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HG1 ))
3.900 1.900 1.900 peak 618 spectrum 1 weight .10000E+01 volume .25596E-03 ppm1 8.257 ppm2 2.173 CV 1
ASSI { 619}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB1 ))
3.300 1.400 1.400 peak 619 spectrum 1 weight .10000E+01 volume .67775E-03 ppm1 7.944 ppm2 1.849 CV 1
ASSI { 622}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HB ))
3.000 1.100 1.100 peak 622 spectrum 1 weight .10000E+01 volume .12960E-02 ppm1 8.052 ppm2 1.987 CV 1
ASSI { 625}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 15 and name HB% )
3.900 1.900 1.900 peak 625 spectrum 1 weight .10000E+01 volume .24154E-03 ppm1 8.247 ppm2 1.323 CV 1
ASSI { 628}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB1 ))
3.400 1.400 1.400 peak 628 spectrum 1 weight .10000E+01 volume .59484E-03 ppm1 8.334 ppm2 3.796 CV 1
OR { 628}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 629}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
3.500 1.500 1.500 peak 629 spectrum 1 weight .10000E+01 volume .47587E-03 ppm1 8.053 ppm2 3.975 CV 1
ASSI { 632}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 7 and name HG2%)
3.200 1.200 1.200 peak 632 spectrum 1 weight .10000E+01 volume .90122E-03 ppm1 8.050 ppm2 .851 CV 1
OR { 632}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 7 and name HG1%)
ASSI { 635}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA ))
3.300 1.300 1.300 peak 635 spectrum 1 weight .10000E+01 volume .70840E-03 ppm1 8.233 ppm2 4.335 CV 1
ASSI { 637}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB2 ))
2.900 1.000 1.000 peak 637 spectrum 1 weight .10000E+01 volume .15285E-02 ppm1 8.231 ppm2 1.617 CV 1
ASSI { 639}
(( segid " " and resid 8 and name HN ))
( segid " " and resid 8 and name HD1%)
3.500 1.500 1.500 peak 639 spectrum 1 weight .10000E+01 volume .52093E-03 ppm1 8.231 ppm2 .843 CV 1
ASSI { 640}
(( segid " " and resid 66 and name HN ))
( segid " " and resid 65 and name HG2%)
3.400 1.500 1.500 peak 640 spectrum 1 weight .10000E+01 volume .55698E-03 ppm1 8.019 ppm2 1.188 CV 1
ASSI { 644}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HA ))
2.900 1.000 1.000 peak 644 spectrum 1 weight .10000E+01 volume .16241E-02 ppm1 8.112 ppm2 4.337 CV 1
ASSI { 645}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 63 and name HA ))
4.200 2.200 1.800 peak 645 spectrum 1 weight .10000E+01 volume .16583E-03 ppm1 8.114 ppm2 4.475 CV 1
ASSI { 649}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA ))
3.200 1.300 1.300 peak 649 spectrum 1 weight .10000E+01 volume .86702E-03 ppm1 7.965 ppm2 4.202 CV 1
ASSI { 651}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 75 and name HN ))
3.100 1.200 1.200 peak 651 spectrum 1 weight .10000E+01 volume .97334E-03 ppm1 8.352 ppm2 8.490 CV 1
ASSI { 654}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 11 and name HG1 ))
3.800 1.800 1.800 peak 654 spectrum 1 weight .10000E+01 volume .30463E-03 ppm1 7.968 ppm2 1.250 CV 1
ASSI { 660}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB1 ))
2.400 .700 .700 peak 660 spectrum 1 weight .10000E+01 volume .43567E-02 ppm1 7.838 ppm2 1.767 CV 1
OR { 660}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB2 ))
ASSI { 662}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 59 and name HB2 ))
3.900 1.900 1.900 peak 662 spectrum 1 weight .10000E+01 volume .24875E-03 ppm1 8.130 ppm2 1.777 CV 1
OR { 662}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 59 and name HB1 ))
ASSI { 667}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HN ))
3.800 1.900 1.900 peak 667 spectrum 1 weight .10000E+01 volume .27398E-03 ppm1 8.338 ppm2 8.121 CV 1
ASSI { 670}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 62 and name HN ))
2.900 1.100 1.100 peak 670 spectrum 1 weight .10000E+01 volume .14186E-02 ppm1 7.976 ppm2 8.126 CV 1
ASSI { 671}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 58 and name HA ))
2.700 .900 .900 peak 671 spectrum 1 weight .10000E+01 volume .24028E-02 ppm1 7.973 ppm2 4.081 CV 1
ASSI { 673}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
2.700 .900 .900 peak 673 spectrum 1 weight .10000E+01 volume .24208E-02 ppm1 8.197 ppm2 4.222 CV 1
ASSI { 677}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB2 ))
3.300 1.400 1.400 peak 677 spectrum 1 weight .10000E+01 volume .68135E-03 ppm1 8.190 ppm2 1.883 CV 1
ASSI { 681}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 51 and name HA ))
4.100 2.100 1.900 peak 681 spectrum 1 weight .10000E+01 volume .19287E-03 ppm1 8.572 ppm2 5.312 CV 1
ASSI { 682}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HG1 ))
3.900 1.900 1.900 peak 682 spectrum 1 weight .10000E+01 volume .24154E-03 ppm1 8.378 ppm2 1.982 CV 1
ASSI { 683}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 54 and name HA ))
3.300 1.300 1.300 peak 683 spectrum 1 weight .10000E+01 volume .70840E-03 ppm1 8.256 ppm2 4.588 CV 1
ASSI { 685}
(( segid " " and resid 34 and name HD22))
(( segid " " and resid 35 and name HG2 ))
4.200 2.200 1.800 peak 685 spectrum 1 weight .10000E+01 volume .15682E-03 ppm1 6.783 ppm2 2.271 CV 1
ASSI { 687}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HD2 ))
3.400 1.400 1.400 peak 687 spectrum 1 weight .10000E+01 volume .58943E-03 ppm1 8.325 ppm2 1.617 CV 1
OR { 687}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HD1 ))
ASSI { 688}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB2 ))
2.500 .800 .800 peak 688 spectrum 1 weight .10000E+01 volume .33022E-02 ppm1 8.472 ppm2 3.761 CV 1
ASSI { 692}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HB1 ))
3.700 1.700 1.700 peak 692 spectrum 1 weight .10000E+01 volume .35330E-03 ppm1 8.190 ppm2 2.002 CV 1
ASSI { 693}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 54 and name HN ))
3.000 1.100 1.100 peak 693 spectrum 1 weight .10000E+01 volume .11879E-02 ppm1 8.324 ppm2 8.574 CV 1
ASSI { 694}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB1 ))
3.900 1.900 1.900 peak 694 spectrum 1 weight .10000E+01 volume .25416E-03 ppm1 8.321 ppm2 1.745 CV 1
ASSI { 695}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 55 and name HN ))
2.400 2.400 3.600 peak 695 spectrum 1 weight .10000E+01 volume .50363E-02 ppm1 8.326 ppm2 8.461 CV 1
ASSI { 697}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HG1 ))
3.600 1.600 1.600 peak 697 spectrum 1 weight .10000E+01 volume .39295E-03 ppm1 8.321 ppm2 1.463 CV 1
ASSI { 699}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HG2 ))
4.000 2.000 2.000 peak 699 spectrum 1 weight .10000E+01 volume .20548E-03 ppm1 8.327 ppm2 1.372 CV 1
OR { 699}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HG1 ))
ASSI { 701}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
2.900 1.000 1.000 peak 701 spectrum 1 weight .10000E+01 volume .15519E-02 ppm1 8.324 ppm2 4.478 CV 1
ASSI { 704}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 53 and name HD1%)
3.600 1.600 1.600 peak 704 spectrum 1 weight .10000E+01 volume .43080E-03 ppm1 8.084 ppm2 .632 CV 1
ASSI { 705}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 24 and name HG2%)
3.400 1.400 1.400 peak 705 spectrum 1 weight .10000E+01 volume .60745E-03 ppm1 8.082 ppm2 1.168 CV 1
ASSI { 706}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 53 and name HD2%)
4.300 2.300 1.700 peak 706 spectrum 1 weight .10000E+01 volume .13880E-03 ppm1 8.083 ppm2 .749 CV 1
ASSI { 708}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HG2 ))
3.400 1.400 1.400 peak 708 spectrum 1 weight .10000E+01 volume .57140E-03 ppm1 7.848 ppm2 .520 CV 1
ASSI { 709}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 34 and name HN ))
2.700 .900 .900 peak 709 spectrum 1 weight .10000E+01 volume .20819E-02 ppm1 7.843 ppm2 8.034 CV 1
ASSI { 711}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 53 and name HB1 ))
3.200 1.300 1.300 peak 711 spectrum 1 weight .10000E+01 volume .80933E-03 ppm1 9.009 ppm2 1.030 CV 1
ASSI { 714}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 53 and name HD1%)
3.300 1.400 1.400 peak 714 spectrum 1 weight .10000E+01 volume .64711E-03 ppm1 9.007 ppm2 .611 CV 1
ASSI { 715}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HG1 ))
3.200 1.300 1.300 peak 715 spectrum 1 weight .10000E+01 volume .82736E-03 ppm1 9.010 ppm2 2.212 CV 1
ASSI { 716}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
3.000 1.100 1.100 peak 716 spectrum 1 weight .10000E+01 volume .13465E-02 ppm1 8.377 ppm2 4.187 CV 1
ASSI { 719}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 15 and name HB% )
2.700 .900 .900 peak 719 spectrum 1 weight .10000E+01 volume .24749E-02 ppm1 8.374 ppm2 1.325 CV 1
ASSI { 722}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 29 and name HB2 ))
2.800 2.800 3.200 peak 722 spectrum 1 weight .10000E+01 volume .20260E-02 ppm1 8.583 ppm2 2.820 CV 1
ASSI { 723}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB1 ))
3.200 1.300 1.300 peak 723 spectrum 1 weight .10000E+01 volume .86341E-03 ppm1 8.581 ppm2 4.029 CV 1
ASSI { 724}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 26 and name HA2 ))
3.300 1.400 1.400 peak 724 spectrum 1 weight .10000E+01 volume .65612E-03 ppm1 8.581 ppm2 3.689 CV 1
ASSI { 729}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HG1 ))
3.300 1.400 1.400 peak 729 spectrum 1 weight .10000E+01 volume .64711E-03 ppm1 7.453 ppm2 2.134 CV 1
ASSI { 730}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
2.700 .900 .900 peak 730 spectrum 1 weight .10000E+01 volume .21252E-02 ppm1 8.358 ppm2 1.877 CV 1
ASSI { 731}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 34 and name HA ))
3.500 1.500 1.500 peak 731 spectrum 1 weight .10000E+01 volume .49930E-03 ppm1 7.453 ppm2 4.107 CV 1
ASSI { 732}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB1 ))
3.300 1.300 1.300 peak 732 spectrum 1 weight .10000E+01 volume .71379E-03 ppm1 8.358 ppm2 2.003 CV 1
ASSI { 736}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HD2 ))
2.700 .900 .900 peak 736 spectrum 1 weight .10000E+01 volume .22225E-02 ppm1 8.825 ppm2 3.486 CV 1
ASSI { 737}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG1 ))
3.400 1.400 1.400 peak 737 spectrum 1 weight .10000E+01 volume .58222E-03 ppm1 8.356 ppm2 2.216 CV 1
OR { 737}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG2 ))
ASSI { 740}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB2 ))
3.000 1.100 1.100 peak 740 spectrum 1 weight .10000E+01 volume .12113E-02 ppm1 8.246 ppm2 3.797 CV 1
OR { 740}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB1 ))
ASSI { 741}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
3.100 1.200 1.200 peak 741 spectrum 1 weight .10000E+01 volume .93369E-03 ppm1 8.245 ppm2 4.347 CV 1
ASSI { 745}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 29 and name HA ))
2.700 .900 .900 peak 745 spectrum 1 weight .10000E+01 volume .24820E-02 ppm1 7.768 ppm2 4.862 CV 1
ASSI { 746}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 52 and name HA ))
2.900 1.100 1.100 peak 746 spectrum 1 weight .10000E+01 volume .14276E-02 ppm1 7.768 ppm2 4.555 CV 1
ASSI { 747}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 52 and name HB ))
3.800 1.800 1.800 peak 747 spectrum 1 weight .10000E+01 volume .30824E-03 ppm1 7.769 ppm2 4.421 CV 1
ASSI { 749}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 25 and name HG1 ))
3.200 1.300 1.300 peak 749 spectrum 1 weight .10000E+01 volume .85800E-03 ppm1 7.768 ppm2 2.209 CV 1
ASSI { 754}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 52 and name HB ))
3.800 1.800 1.800 peak 754 spectrum 1 weight .10000E+01 volume .31544E-03 ppm1 8.217 ppm2 4.421 CV 1
ASSI { 755}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 28 and name HB2 ))
3.300 1.400 1.400 peak 755 spectrum 1 weight .10000E+01 volume .67414E-03 ppm1 8.215 ppm2 2.718 CV 1
ASSI { 756}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
2.800 1.000 1.000 peak 756 spectrum 1 weight .10000E+01 volume .17520E-02 ppm1 8.329 ppm2 4.258 CV 1
ASSI { 757}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 28 and name HB2 ))
3.300 1.400 1.400 peak 757 spectrum 1 weight .10000E+01 volume .66513E-03 ppm1 7.773 ppm2 2.696 CV 1
OR { 757}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 28 and name HB1 ))
ASSI { 758}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB2 ))
3.400 1.400 1.400 peak 758 spectrum 1 weight .10000E+01 volume .60204E-03 ppm1 7.944 ppm2 1.946 CV 1
ASSI { 762}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB1 ))
2.600 .900 .900 peak 762 spectrum 1 weight .10000E+01 volume .26732E-02 ppm1 8.366 ppm2 1.905 CV 1
ASSI { 763}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HN ))
1.800 .400 .400 peak 763 spectrum 1 weight .10000E+01 volume .24318E-01 ppm1 8.069 ppm2 7.962 CV 1
ASSI { 766}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB2 ))
2.800 1.000 1.000 peak 766 spectrum 1 weight .10000E+01 volume .18224E-02 ppm1 8.364 ppm2 2.012 CV 1
ASSI { 767}
(( segid " " and resid 34 and name HD22))
(( segid " " and resid 34 and name HB2 ))
3.000 1.100 1.100 peak 767 spectrum 1 weight .10000E+01 volume .11734E-02 ppm1 6.781 ppm2 2.587 CV 1
ASSI { 768}
(( segid " " and resid 34 and name HD22))
(( segid " " and resid 34 and name HN ))
3.900 1.900 1.900 peak 768 spectrum 1 weight .10000E+01 volume .27218E-03 ppm1 6.781 ppm2 8.048 CV 1
ASSI { 772}
(( segid " " and resid 48 and name HD22))
(( segid " " and resid 47 and name HB2 ))
4.100 2.100 1.900 peak 772 spectrum 1 weight .10000E+01 volume .19468E-03 ppm1 6.808 ppm2 1.953 CV 1
ASSI { 777}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG1 ))
3.000 1.100 1.100 peak 777 spectrum 1 weight .10000E+01 volume .12203E-02 ppm1 8.362 ppm2 2.296 CV 1
OR { 777}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 778}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 61 and name HG2%)
4.100 2.100 1.900 peak 778 spectrum 1 weight .10000E+01 volume .17665E-03 ppm1 8.326 ppm2 .899 CV 1
ASSI { 782}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HB1 ))
3.400 1.400 1.400 peak 782 spectrum 1 weight .10000E+01 volume .61646E-03 ppm1 8.166 ppm2 1.709 CV 1
ASSI { 784}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
2.300 2.300 3.700 peak 784 spectrum 1 weight .10000E+01 volume .60078E-02 ppm1 8.159 ppm2 8.297 CV 1
ASSI { 786}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 64 and name HN ))
2.400 .700 .700 peak 786 spectrum 1 weight .10000E+01 volume .45568E-02 ppm1 8.216 ppm2 8.338 CV 1
ASSI { 789}
(( segid " " and resid 48 and name HD22))
(( segid " " and resid 47 and name HB1 ))
4.100 2.100 1.900 peak 789 spectrum 1 weight .10000E+01 volume .19468E-03 ppm1 6.807 ppm2 1.852 CV 1
ASSI { 791}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB2 ))
3.900 1.900 1.900 peak 791 spectrum 1 weight .10000E+01 volume .24695E-03 ppm1 8.316 ppm2 3.088 CV 1
ASSI { 794}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA ))
3.000 1.100 1.100 peak 794 spectrum 1 weight .10000E+01 volume .11500E-02 ppm1 9.050 ppm2 4.503 CV 1
ASSI { 800}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB1 ))
2.400 .700 .700 peak 800 spectrum 1 weight .10000E+01 volume .41621E-02 ppm1 9.010 ppm2 1.774 CV 1
ASSI { 801}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA1 ))
2.400 .700 .700 peak 801 spectrum 1 weight .10000E+01 volume .51715E-02 ppm1 8.316 ppm2 3.739 CV 1
ASSI { 802}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA2 ))
2.400 .700 .700 peak 802 spectrum 1 weight .10000E+01 volume .51715E-02 ppm1 8.316 ppm2 3.695 CV 1
ASSI { 803}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
2.800 1.000 1.000 peak 803 spectrum 1 weight .10000E+01 volume .20170E-02 ppm1 8.139 ppm2 4.159 CV 1
ASSI { 805}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
3.200 1.300 1.300 peak 805 spectrum 1 weight .10000E+01 volume .85259E-03 ppm1 8.246 ppm2 8.367 CV 1
ASSI { 806}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB2 ))
2.600 .800 .800 peak 806 spectrum 1 weight .10000E+01 volume .31418E-02 ppm1 8.139 ppm2 3.809 CV 1
ASSI { 809}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HA ))
2.600 .900 .900 peak 809 spectrum 1 weight .10000E+01 volume .26047E-02 ppm1 8.583 ppm2 4.292 CV 1
ASSI { 811}
(( segid " " and resid 33 and name HE22))
(( segid " " and resid 33 and name HB1 ))
3.800 1.800 1.800 peak 811 spectrum 1 weight .10000E+01 volume .28480E-03 ppm1 6.899 ppm2 .396 CV 1
ASSI { 813}
(( segid " " and resid 34 and name HD22))
(( segid " " and resid 35 and name HG1 ))
4.300 2.400 1.700 peak 813 spectrum 1 weight .10000E+01 volume .13159E-03 ppm1 6.782 ppm2 2.159 CV 1
ASSI { 818}
(( segid " " and resid 34 and name HD21))
(( segid " " and resid 34 and name HN ))
3.800 1.800 1.800 peak 818 spectrum 1 weight .10000E+01 volume .30102E-03 ppm1 7.598 ppm2 8.047 CV 1
ASSI { 819}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 26 and name HN ))
3.100 1.200 1.200 peak 819 spectrum 1 weight .10000E+01 volume .92652E-03 ppm1 8.584 ppm2 8.351 CV 1
ASSI { 822}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HG ))
3.200 1.300 1.300 peak 822 spectrum 1 weight .10000E+01 volume .76788E-03 ppm1 8.946 ppm2 1.292 CV 1
ASSI { 823}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 40 and name HN ))
3.700 1.700 1.700 peak 823 spectrum 1 weight .10000E+01 volume .33527E-03 ppm1 8.579 ppm2 8.828 CV 1
ASSI { 825}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HD21))
3.600 1.600 1.600 peak 825 spectrum 1 weight .10000E+01 volume .40377E-03 ppm1 8.069 ppm2 7.574 CV 1
ASSI { 829}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 38 and name HB1 ))
3.800 1.800 1.800 peak 829 spectrum 1 weight .10000E+01 volume .29922E-03 ppm1 8.824 ppm2 3.861 CV 1
ASSI { 830}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 38 and name HB2 ))
3.800 1.800 1.800 peak 830 spectrum 1 weight .10000E+01 volume .29922E-03 ppm1 8.826 ppm2 3.764 CV 1
ASSI { 833}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HB2 ))
2.800 1.000 1.000 peak 833 spectrum 1 weight .10000E+01 volume .18566E-02 ppm1 7.775 ppm2 1.592 CV 1
ASSI { 835}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB2 ))
3.800 1.800 1.800 peak 835 spectrum 1 weight .10000E+01 volume .27939E-03 ppm1 7.518 ppm2 3.321 CV 1
ASSI { 836}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 30 and name HN ))
3.900 1.900 1.900 peak 836 spectrum 1 weight .10000E+01 volume .26677E-03 ppm1 8.586 ppm2 6.989 CV 1
ASSI { 837}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB2 ))
2.800 1.000 1.000 peak 837 spectrum 1 weight .10000E+01 volume .20152E-02 ppm1 8.310 ppm2 2.824 CV 1
ASSI { 844}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB1 ))
3.800 1.800 1.800 peak 844 spectrum 1 weight .10000E+01 volume .29562E-03 ppm1 7.966 ppm2 1.513 CV 1
ASSI { 846}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB1 ))
2.400 .700 .700 peak 846 spectrum 1 weight .10000E+01 volume .41494E-02 ppm1 8.034 ppm2 2.690 CV 1
ASSI { 1070}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB2 ))
2.400 .700 .700 peak 1070 spectrum 1 weight .10000E+01 volume .41494E-02 ppm1 8.027 ppm2 2.586 CV 1
ASSI { 1628}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 27 and name HN ))
2.800 1.000 1.000 peak 1628 spectrum 1 weight .10000E+01 volume .19936E-02 ppm1 8.316 ppm2 8.148 CV 1
ASSI { 1635}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HG1 ))
3.200 1.300 1.300 peak 1635 spectrum 1 weight .10000E+01 volume .78950E-03 ppm1 8.069 ppm2 1.341 CV 1
ASSI { 1658}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HG1 ))
2.700 .900 .900 peak 1658 spectrum 1 weight .10000E+01 volume .21685E-02 ppm1 7.390 ppm2 2.138 CV 1
ASSI { 1676}
(( segid " " and resid 48 and name HD21))
(( segid " " and resid 48 and name HB1 ))
2.800 1.000 1.000 peak 1676 spectrum 1 weight .10000E+01 volume .19809E-02 ppm1 7.559 ppm2 2.603 CV 1
ASSI { 1727}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HG2 ))
2.900 1.100 1.100 peak 1727 spectrum 1 weight .10000E+01 volume .13717E-02 ppm1 7.393 ppm2 2.274 CV 1
ASSI { 1911}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HA ))
2.500 .800 .800 peak 1911 spectrum 1 weight .10000E+01 volume .34284E-02 ppm1 7.457 ppm2 4.246 CV 1
ASSI { 2054}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HG ))
2.900 1.100 1.100 peak 2054 spectrum 1 weight .10000E+01 volume .14709E-02 ppm1 8.174 ppm2 1.545 CV 1
ASSI { 2056}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HA ))
2.300 .600 .600 peak 2056 spectrum 1 weight .10000E+01 volume .66495E-02 ppm1 8.360 ppm2 4.200 CV 1
ASSI { 2059}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HA ))
2.900 1.000 1.000 peak 2059 spectrum 1 weight .10000E+01 volume .16421E-02 ppm1 7.522 ppm2 4.579 CV 1
ASSI { 2221}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HG1 ))
3.600 1.600 1.600 peak 2221 spectrum 1 weight .10000E+01 volume .39655E-03 ppm1 9.487 ppm2 1.030 CV 1
ASSI { 2284}
(( segid " " and resid 42 and name HE1 ))
(( segid " " and resid 42 and name HD1 ))
2.200 .600 .600 peak 2284 spectrum 1 weight .10000E+01 volume .72299E-02 ppm1 9.935 ppm2 6.968 CV 1
ASSI { 2293}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB2 ))
3.100 1.200 1.200 peak 2293 spectrum 1 weight .10000E+01 volume .10220E-02 ppm1 8.448 ppm2 1.947 CV 1
ASSI { 2324}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HA ))
2.900 1.100 1.100 peak 2324 spectrum 1 weight .10000E+01 volume .14979E-02 ppm1 8.572 ppm2 4.544 CV 1
ASSI { 2380}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 36 and name HN ))
2.000 .500 .500 peak 2380 spectrum 1 weight .10000E+01 volume .15076E-01 ppm1 7.381 ppm2 7.492 CV 1
ASSI { 2411}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 31 and name HB1 ))
4.200 2.200 1.800 peak 2411 spectrum 1 weight .10000E+01 volume .16763E-03 ppm1 6.970 ppm2 2.473 CV 1
ASSI { 2447}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HG2 ))
3.400 1.400 1.400 peak 2447 spectrum 1 weight .10000E+01 volume .61105E-03 ppm1 8.068 ppm2 1.246 CV 1
ASSI { 2481}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HA ))
2.700 .900 .900 peak 2481 spectrum 1 weight .10000E+01 volume .20566E-02 ppm1 7.946 ppm2 4.604 CV 1
ASSI { 2496}
(( segid " " and resid 34 and name HD22))
(( segid " " and resid 34 and name HA ))
3.800 1.800 1.800 peak 2496 spectrum 1 weight .10000E+01 volume .28660E-03 ppm1 6.783 ppm2 4.071 CV 1
ASSI { 2508}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB1 ))
3.500 1.500 1.500 peak 2508 spectrum 1 weight .10000E+01 volume .49749E-03 ppm1 8.590 ppm2 2.744 CV 1
OR { 2508}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB2 ))
ASSI { 2509}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB1 ))
3.000 1.100 1.100 peak 2509 spectrum 1 weight .10000E+01 volume .12203E-02 ppm1 7.945 ppm2 2.594 CV 1
ASSI { 2515}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HA ))
2.600 .900 .900 peak 2515 spectrum 1 weight .10000E+01 volume .27741E-02 ppm1 8.068 ppm2 4.141 CV 1
ASSI { 2560}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB1 ))
2.700 .900 .900 peak 2560 spectrum 1 weight .10000E+01 volume .25163E-02 ppm1 8.308 ppm2 1.773 CV 1
ASSI { 2591}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HA ))
3.100 1.200 1.200 peak 2591 spectrum 1 weight .10000E+01 volume .91387E-03 ppm1 8.860 ppm2 4.555 CV 1
ASSI { 2592}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HB ))
3.400 1.400 1.400 peak 2592 spectrum 1 weight .10000E+01 volume .57140E-03 ppm1 8.861 ppm2 4.416 CV 1
ASSI { 2593}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HB2 ))
2.500 .800 .800 peak 2593 spectrum 1 weight .10000E+01 volume .35726E-02 ppm1 8.945 ppm2 1.765 CV 1
ASSI { 2595}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HA ))
2.400 .700 .700 peak 2595 spectrum 1 weight .10000E+01 volume .41621E-02 ppm1 8.581 ppm2 4.601 CV 1
ASSI { 2601}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HG2 ))
2.800 2.800 3.200 peak 2601 spectrum 1 weight .10000E+01 volume .20008E-02 ppm1 8.313 ppm2 2.186 CV 1
OR { 2601}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HG1 ))
ASSI { 2614}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HA ))
2.700 .900 .900 peak 2614 spectrum 1 weight .10000E+01 volume .22262E-02 ppm1 8.438 ppm2 4.055 CV 1
ASSI { 2643}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HB1 ))
2.500 .800 .800 peak 2643 spectrum 1 weight .10000E+01 volume .33509E-02 ppm1 8.438 ppm2 1.740 CV 1
ASSI { 2644}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HG1 ))
2.900 1.000 1.000 peak 2644 spectrum 1 weight .10000E+01 volume .15808E-02 ppm1 8.437 ppm2 1.407 CV 1
ASSI { 2645}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HA ))
2.400 .700 .700 peak 2645 spectrum 1 weight .10000E+01 volume .43567E-02 ppm1 8.255 ppm2 4.128 CV 1
ASSI { 2646}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HG1 ))
2.800 2.800 3.200 peak 2646 spectrum 1 weight .10000E+01 volume .16799E-02 ppm1 8.256 ppm2 2.212 CV 1
OR { 2646}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HG2 ))
ASSI { 2681}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HB2 ))
2.300 .700 .700 peak 2681 spectrum 1 weight .10000E+01 volume .62638E-02 ppm1 8.257 ppm2 1.984 CV 1
OR { 2681}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HB1 ))
ASSI { 2714}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HA ))
2.300 .600 .600 peak 2714 spectrum 1 weight .10000E+01 volume .65774E-02 ppm1 8.324 ppm2 4.082 CV 1
ASSI { 2716}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HA ))
2.600 .800 .800 peak 2716 spectrum 1 weight .10000E+01 volume .29471E-02 ppm1 8.128 ppm2 4.188 CV 1
ASSI { 2725}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HG1 ))
3.500 1.500 1.500 peak 2725 spectrum 1 weight .10000E+01 volume .50651E-03 ppm1 7.831 ppm2 1.463 CV 1
ASSI { 2731}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HD2 ))
3.900 1.900 1.900 peak 2731 spectrum 1 weight .10000E+01 volume .26857E-03 ppm1 7.832 ppm2 1.593 CV 1
OR { 2731}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HD1 ))
ASSI { 2748}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA ))
2.600 .800 .800 peak 2748 spectrum 1 weight .10000E+01 volume .31058E-02 ppm1 7.842 ppm2 4.716 CV 1
ASSI { 2776}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HG1 ))
3.100 1.200 1.200 peak 2776 spectrum 1 weight .10000E+01 volume .99136E-03 ppm1 7.894 ppm2 1.449 CV 1
ASSI { 2781}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HD1 ))
3.900 1.900 1.900 peak 2781 spectrum 1 weight .10000E+01 volume .27038E-03 ppm1 7.892 ppm2 1.597 CV 1
OR { 2781}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HD2 ))
ASSI { 2841}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HB1 ))
2.600 .800 .800 peak 2841 spectrum 1 weight .10000E+01 volume .28787E-02 ppm1 7.780 ppm2 2.489 CV 1
ASSI { 2842}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HA ))
2.700 .900 .900 peak 2842 spectrum 1 weight .10000E+01 volume .23126E-02 ppm1 8.217 ppm2 4.484 CV 1
ASSI { 2843}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB2 ))
2.400 .700 .700 peak 2843 spectrum 1 weight .10000E+01 volume .48344E-02 ppm1 8.213 ppm2 2.622 CV 1
OR { 2843}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB1 ))
ASSI { 2853}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HD2 ))
2.600 .900 .900 peak 2853 spectrum 1 weight .10000E+01 volume .27380E-02 ppm1 6.972 ppm2 1.634 CV 1
OR { 2853}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HD1 ))
ASSI { 2854}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB1 ))
2.800 1.000 1.000 peak 2854 spectrum 1 weight .10000E+01 volume .19611E-02 ppm1 6.971 ppm2 2.003 CV 1
ASSI { 2856}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 31 and name HG1 ))
4.000 2.000 2.000 peak 2856 spectrum 1 weight .10000E+01 volume .21270E-03 ppm1 6.970 ppm2 1.349 CV 1
ASSI { 2858}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HG2 ))
3.100 1.200 1.200 peak 2858 spectrum 1 weight .10000E+01 volume .10472E-02 ppm1 8.334 ppm2 2.267 CV 1
ASSI { 2883}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HG1 ))
3.100 1.200 1.200 peak 2883 spectrum 1 weight .10000E+01 volume .10472E-02 ppm1 8.335 ppm2 2.198 CV 1
ASSI { 3103}
(( segid " " and resid 66 and name HN ))
( segid " " and resid 66 and name HB% )
2.400 .700 .700 peak 3103 spectrum 1 weight .10000E+01 volume .45874E-02 ppm1 8.021 ppm2 1.349 CV 1
ASSI { 3113}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HA ))
2.500 .800 .800 peak 3113 spectrum 1 weight .10000E+01 volume .39403E-02 ppm1 8.083 ppm2 4.231 CV 1
ASSI { 3150}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB2 ))
3.000 1.100 1.100 peak 3150 spectrum 1 weight .10000E+01 volume .11986E-02 ppm1 8.255 ppm2 1.885 CV 1
OR { 3150}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HB1 ))
ASSI { 3151}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 5 and name HD1%)
3.900 1.900 1.900 peak 3151 spectrum 1 weight .10000E+01 volume .26136E-03 ppm1 8.256 ppm2 .811 CV 1
ASSI { 3159}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HN ))
2.700 .900 .900 peak 3159 spectrum 1 weight .10000E+01 volume .25559E-02 ppm1 7.974 ppm2 7.884 CV 1
ASSI { 3169}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 61 and name HG2%)
3.700 1.700 1.700 peak 3169 spectrum 1 weight .10000E+01 volume .34789E-03 ppm1 8.214 ppm2 .889 CV 1
ASSI { 3186}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB2 ))
3.800 1.800 1.800 peak 3186 spectrum 1 weight .10000E+01 volume .28840E-03 ppm1 8.179 ppm2 1.975 CV 1
ASSI { 3327}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HB1 ))
2.800 1.000 1.000 peak 3327 spectrum 1 weight .10000E+01 volume .17755E-02 ppm1 8.078 ppm2 1.703 CV 1
ASSI { 3329}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HG2 ))
2.800 1.000 1.000 peak 3329 spectrum 1 weight .10000E+01 volume .19809E-02 ppm1 8.078 ppm2 1.353 CV 1
OR { 3329}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HG1 ))
ASSI { 3331}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HB2 ))
2.800 1.000 1.000 peak 3331 spectrum 1 weight .10000E+01 volume .19809E-02 ppm1 8.166 ppm2 2.639 CV 1
OR { 3331}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HB1 ))
ASSI { 3339}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HA ))
3.100 1.200 1.200 peak 3339 spectrum 1 weight .10000E+01 volume .92831E-03 ppm1 8.116 ppm2 4.342 CV 1
ASSI { 3340}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HB1 ))
3.000 1.200 1.200 peak 3340 spectrum 1 weight .10000E+01 volume .11284E-02 ppm1 8.116 ppm2 1.745 CV 1
ASSI { 3343}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HG1 ))
3.200 1.300 1.300 peak 3343 spectrum 1 weight .10000E+01 volume .80933E-03 ppm1 8.114 ppm2 1.376 CV 1
OR { 3343}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HG2 ))
ASSI { 3350}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HA ))
2.200 .600 .600 peak 3350 spectrum 1 weight .10000E+01 volume .88503E-02 ppm1 8.298 ppm2 4.710 CV 1
ASSI { 3360}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HA ))
2.100 .600 .600 peak 3360 spectrum 1 weight .10000E+01 volume .97656E-02 ppm1 8.451 ppm2 4.710 CV 1
ASSI { 3363}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HA1 ))
3.500 1.600 1.600 peak 3363 spectrum 1 weight .10000E+01 volume .45243E-03 ppm1 8.348 ppm2 3.953 CV 1
OR { 3363}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HA2 ))
ASSI { 3432}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 29 and name HD21))
2.200 .600 .600 peak 3432 spectrum 1 weight .10000E+01 volume .77094E-02 ppm1 8.215 ppm2 7.780 CV 1
ASSI { 3434}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 53 and name HN ))
4.000 2.000 2.000 peak 3434 spectrum 1 weight .10000E+01 volume .22531E-03 ppm1 8.214 ppm2 8.957 CV 1
ASSI { 3435}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 53 and name HN ))
4.100 2.100 1.900 peak 3435 spectrum 1 weight .10000E+01 volume .18025E-03 ppm1 7.773 ppm2 8.971 CV 1
ASSI { 3436}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 25 and name HG2 ))
4.000 2.000 2.000 peak 3436 spectrum 1 weight .10000E+01 volume .22171E-03 ppm1 8.214 ppm2 2.342 CV 1
ASSI { 3484}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HB2 ))
2.400 .700 .700 peak 3484 spectrum 1 weight .10000E+01 volume .49407E-02 ppm1 8.558 ppm2 2.826 CV 1
ASSI { 3492}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HA ))
2.500 .800 .800 peak 3492 spectrum 1 weight .10000E+01 volume .32554E-02 ppm1 8.562 ppm2 4.862 CV 1
ASSI { 3572}
(( segid " " and resid 33 and name HE22))
(( segid " " and resid 33 and name HE21))
1.800 .400 .400 peak 3572 spectrum 1 weight .10000E+01 volume .26764E-01 ppm1 6.900 ppm2 6.520 CV 1
ASSI { 3646}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HD2 ))
4.100 2.100 1.900 peak 3646 spectrum 1 weight .10000E+01 volume .19828E-03 ppm1 8.321 ppm2 1.614 CV 1
OR { 3646}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HD1 ))
ASSI { 3772}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 53 and name HD1%)
3.800 1.800 1.800 peak 3772 spectrum 1 weight .10000E+01 volume .30643E-03 ppm1 8.827 ppm2 .622 CV 1
ASSI { 4009}
(( segid " " and resid 48 and name HD21))
(( segid " " and resid 48 and name HA ))
3.100 1.200 1.200 peak 4009 spectrum 1 weight .10000E+01 volume .93190E-03 ppm1 7.559 ppm2 4.588 CV 1
ASSI { 4036}
(( segid " " and resid 42 and name HE1 ))
(( segid " " and resid 33 and name HE21))
3.800 1.800 1.800 peak 4036 spectrum 1 weight .10000E+01 volume .29201E-03 ppm1 9.942 ppm2 6.516 CV 1
ASSI { 4068}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HA ))
4.100 2.100 1.900 peak 4068 spectrum 1 weight .10000E+01 volume .20008E-03 ppm1 8.590 ppm2 4.338 CV 1
ASSI { 4156}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 61 and name HA ))
4.300 2.400 1.700 peak 4156 spectrum 1 weight .10000E+01 volume .13159E-03 ppm1 8.213 ppm2 3.949 CV 1
ASSI { 98}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HB2 ))
3.200 1.300 1.300 peak 98 spectrum 1 weight .10000E+01 volume .79671E-03 ppm1 8.068 ppm2 2.617 CV 1
OR { 98}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HB1 ))
ASSI { 174}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 32 and name HB2 ))
3.600 1.600 1.600 peak 174 spectrum 1 weight .10000E+01 volume .42720E-03 ppm1 8.022 ppm2 2.820 CV 1
ASSI { 242}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HG1 ))
3.300 1.400 1.400 peak 242 spectrum 1 weight .10000E+01 volume .67414E-03 ppm1 8.114 ppm2 1.387 CV 1
OR { 242}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HG2 ))
ASSI { 281}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 39 and name HD1 ))
3.600 1.600 1.600 peak 281 spectrum 1 weight .10000E+01 volume .41639E-03 ppm1 8.086 ppm2 3.525 CV 1
OR { 281}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 39 and name HD2 ))
ASSI { 397}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 23 and name HA ))
3.500 3.500 2.500 peak 397 spectrum 1 weight .10000E+01 volume .45784E-03 ppm1 8.137 ppm2 4.380 CV 1
ASSI { 399}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 8 and name HB1 ))
4.000 2.000 2.000 peak 399 spectrum 1 weight .10000E+01 volume .21630E-03 ppm1 8.248 ppm2 1.539 CV 1
OR { 399}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 8 and name HB2 ))
OR { 399}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 8 and name HG ))
ASSI { 450}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HG2 ))
3.400 1.400 1.400 peak 450 spectrum 1 weight .10000E+01 volume .61466E-03 ppm1 8.826 ppm2 2.036 CV 1
OR { 450}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HB2 ))
ASSI { 499}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 42 and name HH2 ))
3.300 1.300 1.300 peak 499 spectrum 1 weight .10000E+01 volume .75346E-03 ppm1 7.847 ppm2 7.211 CV 1
ASSI { 533}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HB2 ))
2.700 .900 .900 peak 533 spectrum 1 weight .10000E+01 volume .20765E-02 ppm1 7.977 ppm2 1.777 CV 1
OR { 533}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HB1 ))
ASSI { 544}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB1 ))
2.900 1.000 1.000 peak 544 spectrum 1 weight .10000E+01 volume .15430E-02 ppm1 8.255 ppm2 1.744 CV 1
ASSI { 643}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 63 and name HB1 ))
4.000 2.000 2.000 peak 643 spectrum 1 weight .10000E+01 volume .22351E-03 ppm1 8.114 ppm2 2.619 CV 1
OR { 643}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 63 and name HB2 ))
ASSI { 665}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 9 and name HN ))
4.600 2.600 1.400 peak 665 spectrum 1 weight .10000E+01 volume .93728E-04 ppm1 8.241 ppm2 7.922 CV 1
ASSI { 696}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HG1 ))
3.300 1.400 1.400 peak 696 spectrum 1 weight .10000E+01 volume .64350E-03 ppm1 8.324 ppm2 2.181 CV 1
OR { 696}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HG2 ))
ASSI { 733}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 37 and name HN ))
3.700 3.700 2.300 peak 733 spectrum 1 weight .10000E+01 volume .36051E-03 ppm1 7.774 ppm2 7.553 CV 1
ASSI { 775}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 53 and name HD1%)
4.200 2.200 1.800 peak 775 spectrum 1 weight .10000E+01 volume .16763E-03 ppm1 8.321 ppm2 .620 CV 1
ASSI { 779}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
2.100 .500 .500 peak 779 spectrum 1 weight .10000E+01 volume .11298E-01 ppm1 8.304 ppm2 4.237 CV 1
ASSI { 808}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 64 and name HN ))
3.200 1.200 1.200 peak 808 spectrum 1 weight .10000E+01 volume .89943E-03 ppm1 8.080 ppm2 8.317 CV 1
ASSI { 820}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 65 and name HN ))
2.700 .900 .900 peak 820 spectrum 1 weight .10000E+01 volume .20946E-02 ppm1 8.337 ppm2 8.122 CV 1
ASSI { 821}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 51 and name HB2 ))
3.900 1.900 1.900 peak 821 spectrum 1 weight .10000E+01 volume .25416E-03 ppm1 7.453 ppm2 3.012 CV 1
ASSI { 824}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 28 and name HB1 ))
3.700 1.700 1.700 peak 824 spectrum 1 weight .10000E+01 volume .35510E-03 ppm1 8.857 ppm2 2.706 CV 1
OR { 824}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 828}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 53 and name HA ))
3.300 1.400 1.400 peak 828 spectrum 1 weight .10000E+01 volume .65252E-03 ppm1 8.825 ppm2 4.499 CV 1
ASSI { 838}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 29 and name HA ))
3.900 1.900 1.900 peak 838 spectrum 1 weight .10000E+01 volume .26497E-03 ppm1 8.582 ppm2 4.845 CV 1
ASSI { 841}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HN ))
3.500 1.500 1.500 peak 841 spectrum 1 weight .10000E+01 volume .47226E-03 ppm1 8.082 ppm2 8.197 CV 1
ASSI { 842}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 39 and name HG2 ))
3.300 1.300 1.300 peak 842 spectrum 1 weight .10000E+01 volume .74084E-03 ppm1 8.083 ppm2 2.040 CV 1
ASSI { 1020}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HD1 ))
3.300 1.300 1.300 peak 1020 spectrum 1 weight .10000E+01 volume .73903E-03 ppm1 8.069 ppm2 1.662 CV 1
OR { 1020}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HD2 ))
ASSI { 1629}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 80 and name HN ))
4.400 2.400 1.600 peak 1629 spectrum 1 weight .10000E+01 volume .11897E-03 ppm1 8.356 ppm2 8.028 CV 1
ASSI { 1670}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HN ))
2.100 2.100 3.900 peak 1670 spectrum 1 weight .10000E+01 volume .90248E-02 ppm1 8.953 ppm2 8.835 CV 1
ASSI { 1939}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HN ))
3.500 1.500 1.500 peak 1939 spectrum 1 weight .10000E+01 volume .49028E-03 ppm1 8.085 ppm2 8.314 CV 1
ASSI { 1963}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HA ))
3.800 1.800 1.800 peak 1963 spectrum 1 weight .10000E+01 volume .30102E-03 ppm1 8.355 ppm2 4.298 CV 1
ASSI { 2106}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 27 and name HN ))
3.700 1.700 1.700 peak 2106 spectrum 1 weight .10000E+01 volume .33707E-03 ppm1 9.009 ppm2 8.174 CV 1
ASSI { 2107}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 53 and name HG ))
3.800 1.800 1.800 peak 2107 spectrum 1 weight .10000E+01 volume .28119E-03 ppm1 9.011 ppm2 1.275 CV 1
ASSI { 2345}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 53 and name HN ))
3.700 1.700 1.700 peak 2345 spectrum 1 weight .10000E+01 volume .32986E-03 ppm1 8.586 ppm2 8.930 CV 1
ASSI { 2404}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 31 and name HB1 ))
3.700 1.700 1.700 peak 2404 spectrum 1 weight .10000E+01 volume .35149E-03 ppm1 7.457 ppm2 2.554 CV 1
ASSI { 2440}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 32 and name HN ))
3.200 3.200 2.800 peak 2440 spectrum 1 weight .10000E+01 volume .83096E-03 ppm1 8.021 ppm2 8.270 CV 1
ASSI { 2563}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 43 and name HD2 ))
3.500 1.600 1.600 peak 2563 spectrum 1 weight .10000E+01 volume .44883E-03 ppm1 8.859 ppm2 7.072 CV 1
ASSI { 3744}
(( segid " " and resid 29 and name HN ))
( segid " " and resid 52 and name HG2%)
3.900 1.900 1.900 peak 3744 spectrum 1 weight .10000E+01 volume .25236E-03 ppm1 8.566 ppm2 .886 CV 1
ASSI { 3796}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 26 and name HN ))
3.500 1.600 1.600 peak 3796 spectrum 1 weight .10000E+01 volume .44522E-03 ppm1 8.565 ppm2 8.354 CV 1
ASSI { 4158}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 65 and name HG2%)
3.900 1.900 1.900 peak 4158 spectrum 1 weight .10000E+01 volume .25956E-03 ppm1 8.215 ppm2 1.216 CV 1
ASSI { 220}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 10 and name HN ))
2.600 .900 .900 peak 220 spectrum 1 weight .10000E+01 volume .27072E-02 ppm1 4.161 ppm2 8.127 CV 1
OR { 220}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HN ))
ASSI { 656}
(( segid " " and resid 51 and name HB1 ))
(( segid " " and resid 31 and name HN ))
3.200 1.300 1.300 peak 656 spectrum 1 weight .10000E+01 volume .83667E-03 ppm1 3.874 ppm2 7.777 CV 1
OR { 656}
(( segid " " and resid 51 and name HB1 ))
(( segid " " and resid 29 and name HD21))
ASSI { 796}
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 67 and name HN ))
3.100 1.200 1.200 peak 796 spectrum 1 weight .10000E+01 volume .10723E-02 ppm1 1.338 ppm2 8.119 CV 1
OR { 796}
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 67 and name HN ))
OR { 796}
(( segid " " and resid 70 and name HG1 ))
(( segid " " and resid 70 and name HN ))
OR { 796}
(( segid " " and resid 70 and name HG2 ))
(( segid " " and resid 70 and name HN ))
OR { 796}
(( segid " " and resid 49 and name HG1 ))
(( segid " " and resid 49 and name HN ))
ASSI { 797}
(( segid " " and resid 67 and name HG2 ))
(( segid " " and resid 67 and name HN ))
3.100 1.200 1.200 peak 797 spectrum 1 weight .10000E+01 volume .10723E-02 ppm1 1.318 ppm2 8.066 CV 1
OR { 797}
(( segid " " and resid 49 and name HG2 ))
(( segid " " and resid 49 and name HN ))
OR { 797}
(( segid " " and resid 67 and name HG1 ))
(( segid " " and resid 67 and name HN ))
OR { 797}
(( segid " " and resid 70 and name HG1 ))
(( segid " " and resid 70 and name HN ))
OR { 797}
(( segid " " and resid 70 and name HG2 ))
(( segid " " and resid 70 and name HN ))
OR { 797}
(( segid " " and resid 49 and name HG1 ))
(( segid " " and resid 49 and name HN ))
ASSI { 1062}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 60 and name HN ))
2.400 .700 .700 peak 1062 spectrum 1 weight .10000E+01 volume .52268E-02 ppm1 1.789 ppm2 7.862 CV 1
OR { 1062}
(( segid " " and resid 59 and name HB1 ))
(( segid " " and resid 59 and name HN ))
OR { 1062}
(( segid " " and resid 60 and name HB1 ))
(( segid " " and resid 60 and name HN ))
OR { 1062}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HN ))
ASSI { 1120}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 58 and name HA ))
2.500 .800 .800 peak 1120 spectrum 1 weight .10000E+01 volume .35342E-02 ppm1 .896 ppm2 4.087 CV 1
OR { 1120}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 57 and name HA ))
ASSI { 1615}
( segid " " and resid 61 and name HG1%)
(( segid " " and resid 62 and name HA ))
2.700 .900 .900 peak 1615 spectrum 1 weight .10000E+01 volume .24235E-02 ppm1 .879 ppm2 4.171 CV 1
OR { 1615}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 6 and name HA ))
OR { 1615}
( segid " " and resid 7 and name HG1%)
(( segid " " and resid 6 and name HA ))
OR { 1615}
( segid " " and resid 61 and name HG1%)
(( segid " " and resid 21 and name HA ))
OR { 1615}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 60 and name HA ))
OR { 1615}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 62 and name HA ))
OR { 1615}
( segid " " and resid 7 and name HG1%)
(( segid " " and resid 9 and name HA ))
OR { 1615}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 59 and name HA ))
OR { 1615}
( segid " " and resid 7 and name HG2%)
(( segid " " and resid 9 and name HA ))
ASSI { 2323}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 63 and name HB2 ))
2.600 .800 .800 peak 2323 spectrum 1 weight .10000E+01 volume .28707E-02 ppm1 4.186 ppm2 2.625 CV 1
OR { 2323}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 40 and name HB2 ))
OR { 2323}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 63 and name HB1 ))
ASSI { 3384}
(( segid " " and resid 25 and name HG1 ))
(( segid " " and resid 53 and name HN ))
2.900 1.100 1.100 peak 3384 spectrum 1 weight .10000E+01 volume .14329E-02 ppm1 2.346 ppm2 8.994 CV 1
OR { 3384}
(( segid " " and resid 25 and name HG1 ))
(( segid " " and resid 25 and name HN ))
ASSI { 3448}
(( segid " " and resid 35 and name HG1 ))
(( segid " " and resid 32 and name HN ))
2.400 .700 .700 peak 3448 spectrum 1 weight .10000E+01 volume .46546E-02 ppm1 2.193 ppm2 8.285 CV 1
OR { 3448}
(( segid " " and resid 64 and name HG2 ))
(( segid " " and resid 64 and name HN ))
OR { 3448}
(( segid " " and resid 56 and name HG1 ))
(( segid " " and resid 56 and name HN ))
OR { 3448}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HN ))
OR { 3448}
(( segid " " and resid 56 and name HG2 ))
(( segid " " and resid 56 and name HN ))
OR { 3448}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HN ))
OR { 3448}
(( segid " " and resid 57 and name HG2 ))
(( segid " " and resid 57 and name HN ))
OR { 3448}
(( segid " " and resid 57 and name HG1 ))
(( segid " " and resid 57 and name HN ))
OR { 3448}
(( segid " " and resid 57 and name HG1 ))
(( segid " " and resid 58 and name HN ))
ASSI { 3470}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 31 and name HN ))
3.000 3.000 3.000 peak 3470 spectrum 1 weight .10000E+01 volume .13368E-02 ppm1 3.043 ppm2 7.771 CV 1
OR { 3470}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 29 and name HD21))
ASSI { 3488}
( segid " " and resid 62 and name HB% )
(( segid " " and resid 61 and name HB ))
3.000 1.100 1.100 peak 3488 spectrum 1 weight .10000E+01 volume .11684E-02 ppm1 1.310 ppm2 1.998 CV 1
OR { 3488}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 39 and name HG1 ))
OR { 3488}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 39 and name HG1 ))
OR { 3488}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 39 and name HB2 ))
OR { 3488}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 16 and name HB1 ))
OR { 3488}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 20 and name HB1 ))
OR { 3488}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 61 and name HB ))
OR { 3488}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 14 and name HG1 ))
OR { 3488}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 64 and name HB1 ))
ASSI { 3616}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HN ))
2.100 .500 .500 peak 3616 spectrum 1 weight .10000E+01 volume .11170E-01 ppm1 1.977 ppm2 8.278 CV 1
OR { 3616}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 57 and name HN ))
OR { 3616}
(( segid " " and resid 57 and name HB1 ))
(( segid " " and resid 58 and name HN ))
OR { 3616}
(( segid " " and resid 57 and name HB1 ))
(( segid " " and resid 57 and name HN ))
OR { 3616}
(( segid " " and resid 56 and name HB1 ))
(( segid " " and resid 56 and name HN ))
OR { 3616}
(( segid " " and resid 56 and name HB1 ))
(( segid " " and resid 57 and name HN ))
OR { 3616}
(( segid " " and resid 19 and name HB2 ))
(( segid " " and resid 19 and name HN ))
OR { 3616}
(( segid " " and resid 19 and name HB1 ))
(( segid " " and resid 19 and name HN ))
OR { 3616}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HN ))
ASSI { 3658}
(( segid " " and resid 64 and name HG1 ))
(( segid " " and resid 64 and name HN ))
2.400 .700 .700 peak 3658 spectrum 1 weight .10000E+01 volume .43083E-02 ppm1 2.236 ppm2 8.287 CV 1
OR { 3658}
(( segid " " and resid 64 and name HG2 ))
(( segid " " and resid 64 and name HN ))
OR { 3658}
(( segid " " and resid 56 and name HG1 ))
(( segid " " and resid 56 and name HN ))
OR { 3658}
(( segid " " and resid 56 and name HG2 ))
(( segid " " and resid 56 and name HN ))
OR { 3658}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HN ))
OR { 3658}
(( segid " " and resid 57 and name HG2 ))
(( segid " " and resid 57 and name HN ))
OR { 3658}
(( segid " " and resid 57 and name HG1 ))
(( segid " " and resid 57 and name HN ))
OR { 3658}
(( segid " " and resid 35 and name HG2 ))
(( segid " " and resid 32 and name HN ))
OR { 3658}
(( segid " " and resid 57 and name HG1 ))
(( segid " " and resid 58 and name HN ))
OR { 3658}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 17 and name HN ))
ASSI { 3670}
( segid " " and resid 58 and name HB% )
(( segid " " and resid 39 and name HB2 ))
2.600 .800 .800 peak 3670 spectrum 1 weight .10000E+01 volume .29764E-02 ppm1 1.342 ppm2 2.012 CV 1
OR { 3670}
( segid " " and resid 58 and name HB% )
(( segid " " and resid 57 and name HB1 ))
OR { 3670}
( segid " " and resid 58 and name HB% )
(( segid " " and resid 61 and name HB ))
ASSI { 3672}
( segid " " and resid 58 and name HB% )
(( segid " " and resid 59 and name HB1 ))
2.700 .900 .900 peak 3672 spectrum 1 weight .10000E+01 volume .21349E-02 ppm1 1.345 ppm2 1.762 CV 1
OR { 3672}
( segid " " and resid 58 and name HB% )
(( segid " " and resid 55 and name HB1 ))
OR { 3672}
( segid " " and resid 58 and name HB% )
(( segid " " and resid 59 and name HB2 ))
OR { 3672}
( segid " " and resid 58 and name HB% )
(( segid " " and resid 55 and name HB2 ))
ASSI { 3680}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 56 and name HN ))
2.900 1.000 1.000 peak 3680 spectrum 1 weight .10000E+01 volume .15388E-02 ppm1 1.783 ppm2 8.267 CV 1
OR { 3680}
(( segid " " and resid 13 and name HB1 ))
(( segid " " and resid 13 and name HN ))
OR { 3680}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HN ))
OR { 3680}
(( segid " " and resid 55 and name HB1 ))
(( segid " " and resid 56 and name HN ))
OR { 3680}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HN ))
OR { 3680}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 11 and name HN ))
ASSI { 3681}
(( segid " " and resid 59 and name HD2 ))
(( segid " " and resid 59 and name HN ))
3.000 1.200 1.200 peak 3681 spectrum 1 weight .10000E+01 volume .11300E-02 ppm1 1.610 ppm2 7.860 CV 1
OR { 3681}
(( segid " " and resid 59 and name HD1 ))
(( segid " " and resid 59 and name HN ))
OR { 3681}
(( segid " " and resid 59 and name HD1 ))
(( segid " " and resid 60 and name HN ))
OR { 3681}
(( segid " " and resid 60 and name HD1 ))
(( segid " " and resid 60 and name HN ))
OR { 3681}
(( segid " " and resid 60 and name HD2 ))
(( segid " " and resid 60 and name HN ))
ASSI { 3699}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 39 and name HB1 ))
2.800 1.000 1.000 peak 3699 spectrum 1 weight .10000E+01 volume .19234E-02 ppm1 .895 ppm2 2.254 CV 1
OR { 3699}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 57 and name HG1 ))
OR { 3699}
( segid " " and resid 61 and name HG2%)
(( segid " " and resid 57 and name HG2 ))
ASSI { 3701}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 29 and name HB1 ))
2.600 .900 .900 peak 3701 spectrum 1 weight .10000E+01 volume .26062E-02 ppm1 .887 ppm2 2.838 CV 1
OR { 3701}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 50 and name HE1 ))
OR { 3701}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 50 and name HE2 ))
OR { 3701}
( segid " " and resid 52 and name HG2%)
(( segid " " and resid 43 and name HB2 ))
ASSI { 3713}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 63 and name HN ))
2.400 .700 .700 peak 3713 spectrum 1 weight .10000E+01 volume .48806E-02 ppm1 2.633 ppm2 8.194 CV 1
OR { 3713}
(( segid " " and resid 68 and name HB2 ))
(( segid " " and resid 68 and name HN ))
OR { 3713}
(( segid " " and resid 63 and name HB1 ))
(( segid " " and resid 63 and name HN ))
ASSI { 3714}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 60 and name HA ))
2.600 .800 .800 peak 3714 spectrum 1 weight .10000E+01 volume .30534E-02 ppm1 2.637 ppm2 4.171 CV 1
OR { 3714}
(( segid " " and resid 63 and name HB1 ))
(( segid " " and resid 60 and name HA ))
OR { 3714}
(( segid " " and resid 63 and name HB2 ))
(( segid " " and resid 59 and name HA ))
OR { 3714}
(( segid " " and resid 63 and name HB1 ))
(( segid " " and resid 64 and name HA ))
ASSI { 3752}
(( segid " " and resid 55 and name HB2 ))
(( segid " " and resid 56 and name HN ))
2.900 1.100 1.100 peak 3752 spectrum 1 weight .10000E+01 volume .13704E-02 ppm1 1.711 ppm2 8.254 CV 1
OR { 3752}
(( segid " " and resid 55 and name HB1 ))
(( segid " " and resid 56 and name HN ))
OR { 3752}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 11 and name HN ))
ASSI { 3781}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 28 and name HA ))
3.000 1.200 1.200 peak 3781 spectrum 1 weight .10000E+01 volume .11396E-02 ppm1 3.461 ppm2 4.257 CV 1
OR { 3781}
(( segid " " and resid 40 and name HB1 ))
(( segid " " and resid 36 and name HA ))
ASSI { 3836}
( segid " " and resid 62 and name HB% )
(( segid " " and resid 61 and name HB ))
3.000 1.100 1.100 peak 3836 spectrum 1 weight .10000E+01 volume .12069E-02 ppm1 1.303 ppm2 2.047 CV 1
OR { 3836}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 39 and name HG1 ))
OR { 3836}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 39 and name HB2 ))
OR { 3836}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 16 and name HB1 ))
OR { 3836}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 20 and name HB1 ))
OR { 3836}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 61 and name HB ))
OR { 3836}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 14 and name HG1 ))
ASSI { 3837}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 20 and name HN ))
2.000 .500 .500 peak 3837 spectrum 1 weight .10000E+01 volume .13421E-01 ppm1 4.235 ppm2 8.296 CV 1
OR { 3837}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 21 and name HN ))
OR { 3837}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HN ))
ASSI { 3852}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 53 and name HN ))
2.800 1.000 1.000 peak 3852 spectrum 1 weight .10000E+01 volume .19378E-02 ppm1 .629 ppm2 8.980 CV 1
OR { 3852}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 24 and name HN ))
ASSI { 3900}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 39 and name HB2 ))
2.900 1.100 1.100 peak 3900 spectrum 1 weight .10000E+01 volume .13993E-02 ppm1 .724 ppm2 2.078 CV 1
OR { 3900}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 25 and name HB1 ))
ASSI { 3901}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 23 and name HB1 ))
3.000 1.100 1.100 peak 3901 spectrum 1 weight .10000E+01 volume .13319E-02 ppm1 .722 ppm2 2.200 CV 1
OR { 3901}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 54 and name HB2 ))
OR { 3901}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 25 and name HG2 ))
ASSI { 3902}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 39 and name HB1 ))
3.000 1.100 1.100 peak 3902 spectrum 1 weight .10000E+01 volume .12550E-02 ppm1 .722 ppm2 2.266 CV 1
OR { 3902}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 54 and name HB2 ))
OR { 3902}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 25 and name HG2 ))
ASSI { 3903}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 40 and name HB1 ))
2.900 1.000 1.000 peak 3903 spectrum 1 weight .10000E+01 volume .16445E-02 ppm1 .627 ppm2 3.498 CV 1
OR { 3903}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 39 and name HD1 ))
ASSI { 3907}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 55 and name HA ))
3.000 1.100 1.100 peak 3907 spectrum 1 weight .10000E+01 volume .13319E-02 ppm1 .627 ppm2 4.065 CV 1
OR { 3907}
( segid " " and resid 53 and name HD1%)
(( segid " " and resid 58 and name HA ))
ASSI { 3925}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HN ))
2.300 .600 .600 peak 3925 spectrum 1 weight .10000E+01 volume .65106E-02 ppm1 4.051 ppm2 8.434 CV 1
OR { 3925}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HN ))
ASSI { 4005}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 58 and name HN ))
3.200 1.300 1.300 peak 4005 spectrum 1 weight .10000E+01 volume .85591E-03 ppm1 .722 ppm2 8.297 CV 1
OR { 4005}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 57 and name HN ))
ASSI { 4051}
( segid " " and resid 62 and name HB% )
(( segid " " and resid 63 and name HA ))
2.700 .900 .900 peak 4051 spectrum 1 weight .10000E+01 volume .21349E-02 ppm1 1.344 ppm2 4.477 CV 1
OR { 4051}
( segid " " and resid 58 and name HB% )
(( segid " " and resid 24 and name HA ))
OR { 4051}
( segid " " and resid 58 and name HB% )
(( segid " " and resid 53 and name HA ))
OR { 4051}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 63 and name HA ))
ASSI { 4095}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HB2 ))
2.000 .500 .500 peak 4095 spectrum 1 weight .10000E+01 volume .12203E-01 ppm1 4.498 ppm2 2.621 CV 1
OR { 4095}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB2 ))
OR { 4095}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 68 and name HB1 ))
OR { 4095}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB1 ))
ASSI { 4101}
(( segid " " and resid 50 and name HG1 ))
(( segid " " and resid 50 and name HE2 ))
2.700 .900 .900 peak 4101 spectrum 1 weight .10000E+01 volume .21638E-02 ppm1 1.016 ppm2 2.808 CV 1
OR { 4101}
(( segid " " and resid 50 and name HG1 ))
(( segid " " and resid 50 and name HE1 ))
OR { 4101}
(( segid " " and resid 41 and name HG1 ))
(( segid " " and resid 41 and name HE2 ))
OR { 4101}
(( segid " " and resid 41 and name HG1 ))
(( segid " " and resid 41 and name HE1 ))
ASSI { 4126}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 53 and name HA ))
2.300 .700 .700 peak 4126 spectrum 1 weight .10000E+01 volume .53903E-02 ppm1 .722 ppm2 4.493 CV 1
OR { 4126}
( segid " " and resid 53 and name HD2%)
(( segid " " and resid 24 and name HA ))
ASSI { 4140}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 23 and name HG2 ))
2.700 .900 .900 peak 4140 spectrum 1 weight .10000E+01 volume .24908E-02 ppm1 1.309 ppm2 2.254 CV 1
OR { 4140}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 39 and name HB1 ))
OR { 4140}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 23 and name HG1 ))
OR { 4140}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 20 and name HG1 ))
OR { 4140}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 14 and name HB1 ))
OR { 4140}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 20 and name HG2 ))
OR { 4140}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 16 and name HG1 ))
OR { 4140}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 16 and name HG2 ))
OR { 4140}
( segid " " and resid 62 and name HB% )
(( segid " " and resid 39 and name HB1 ))
OR { 4140}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 39 and name HB1 ))
OR { 4140}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 23 and name HG1 ))
ASSI { 4150}
(( segid " " and resid 20 and name HB1 ))
(( segid " " and resid 20 and name HN ))
2.700 .900 .900 peak 4150 spectrum 1 weight .10000E+01 volume .24764E-02 ppm1 2.045 ppm2 8.321 CV 1
OR { 4150}
(( segid " " and resid 19 and name HB1 ))
(( segid " " and resid 19 and name HN ))
OR { 4150}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HN ))
OR { 4150}
(( segid " " and resid 64 and name HB1 ))
(( segid " " and resid 64 and name HN ))
ASSI { 149}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HG1 ))
3.400 1.400 1.400 peak 149 spectrum 1 weight .10000E+01 volume .60024E-03 ppm1 8.255 ppm2 1.361 CV 1
OR { 149}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HG2 ))
OR { 149}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 58 and name HB% )
ASSI { 177}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 60 and name HB2 ))
3.700 1.700 1.700 peak 177 spectrum 1 weight .10000E+01 volume .36051E-03 ppm1 8.326 ppm2 1.766 CV 1
OR { 177}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HB1 ))
OR { 177}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 55 and name HB1 ))
OR { 177}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 55 and name HB2 ))
OR { 177}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HB2 ))
ASSI { 178}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 54 and name HB2 ))
3.600 1.600 1.600 peak 178 spectrum 1 weight .10000E+01 volume .40016E-03 ppm1 8.323 ppm2 2.897 CV 1
OR { 178}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HE1 ))
OR { 178}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HE2 ))
ASSI { 179}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
3.000 1.100 1.100 peak 179 spectrum 1 weight .10000E+01 volume .11446E-02 ppm1 7.965 ppm2 8.218 CV 1
OR { 179}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HN ))
ASSI { 192}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 63 and name HA ))
4.100 2.100 1.900 peak 192 spectrum 1 weight .10000E+01 volume .19468E-03 ppm1 8.020 ppm2 4.492 CV 1
OR { 192}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 68 and name HA ))
ASSI { 253}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 23 and name HB1 ))
3.600 1.600 1.600 peak 253 spectrum 1 weight .10000E+01 volume .42900E-03 ppm1 8.581 ppm2 2.142 CV 1
OR { 253}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 25 and name HG1 ))
OR { 253}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 25 and name HB2 ))
ASSI { 258}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 38 and name HA ))
2.400 2.400 3.600 peak 258 spectrum 1 weight .10000E+01 volume .44397E-02 ppm1 8.825 ppm2 4.622 CV 1
OR { 258}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 37 and name HA ))
ASSI { 293}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
3.500 1.600 1.600 peak 293 spectrum 1 weight .10000E+01 volume .46145E-03 ppm1 8.319 ppm2 7.825 CV 1
OR { 293}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
ASSI { 299}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 51 and name HB1 ))
3.300 1.300 1.300 peak 299 spectrum 1 weight .10000E+01 volume .70659E-03 ppm1 7.777 ppm2 3.872 CV 1
OR { 299}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 27 and name HB2 ))
ASSI { 345}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 53 and name HB2 ))
3.600 1.600 1.600 peak 345 spectrum 1 weight .10000E+01 volume .40016E-03 ppm1 8.566 ppm2 1.751 CV 1
OR { 345}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HB2 ))
OR { 345}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 31 and name HG2 ))
OR { 345}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 25 and name HB1 ))
ASSI { 374}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HG2 ))
3.600 1.700 1.700 peak 374 spectrum 1 weight .10000E+01 volume .37672E-03 ppm1 8.564 ppm2 1.620 CV 1
OR { 374}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 31 and name HB2 ))
OR { 374}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HD1 ))
ASSI { 395}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 31 and name HB2 ))
3.500 1.500 1.500 peak 395 spectrum 1 weight .10000E+01 volume .48128E-03 ppm1 7.453 ppm2 1.587 CV 1
OR { 395}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 37 and name HD1 ))
ASSI { 497}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 55 and name HB2 ))
3.600 1.600 1.600 peak 497 spectrum 1 weight .10000E+01 volume .41278E-03 ppm1 8.319 ppm2 1.752 CV 1
OR { 497}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 60 and name HB2 ))
OR { 497}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 55 and name HB1 ))
OR { 497}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 60 and name HB1 ))
ASSI { 561}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 53 and name HB2 ))
3.500 1.500 1.500 peak 561 spectrum 1 weight .10000E+01 volume .47947E-03 ppm1 8.582 ppm2 1.766 CV 1
OR { 561}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 31 and name HG2 ))
ASSI { 563}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 24 and name HA ))
3.600 1.600 1.600 peak 563 spectrum 1 weight .10000E+01 volume .42720E-03 ppm1 8.583 ppm2 4.521 CV 1
OR { 563}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 52 and name HA ))
OR { 563}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 53 and name HA ))
OR { 563}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 24 and name HB ))
ASSI { 587}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 29 and name HN ))
3.900 1.900 1.900 peak 587 spectrum 1 weight .10000E+01 volume .26316E-03 ppm1 7.779 ppm2 8.567 CV 1
OR { 587}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 28 and name HN ))
ASSI { 595}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB2 ))
2.700 .900 .900 peak 595 spectrum 1 weight .10000E+01 volume .21864E-02 ppm1 8.299 ppm2 2.029 CV 1
OR { 595}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB2 ))
OR { 595}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HB1 ))
ASSI { 608}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 54 and name HB2 ))
4.100 2.100 1.900 peak 608 spectrum 1 weight .10000E+01 volume .20008E-03 ppm1 8.261 ppm2 2.898 CV 1
OR { 608}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HE1 ))
OR { 608}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HE2 ))
OR { 608}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 59 and name HE1 ))
ASSI { 633}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 59 and name HN ))
3.400 1.500 1.500 peak 633 spectrum 1 weight .10000E+01 volume .53355E-03 ppm1 8.321 ppm2 7.840 CV 1
OR { 633}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 60 and name HN ))
ASSI { 636}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 39 and name HG1 ))
3.100 1.200 1.200 peak 636 spectrum 1 weight .10000E+01 volume .10906E-02 ppm1 8.158 ppm2 1.436 CV 1
OR { 636}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 642}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HN ))
3.800 1.800 1.800 peak 642 spectrum 1 weight .10000E+01 volume .29742E-03 ppm1 8.355 ppm2 8.147 CV 1
OR { 642}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 79 and name HN ))
ASSI { 668}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 58 and name HN ))
3.600 1.600 1.600 peak 668 spectrum 1 weight .10000E+01 volume .39836E-03 ppm1 7.978 ppm2 8.331 CV 1
OR { 668}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 64 and name HN ))
ASSI { 675}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 57 and name HB1 ))
3.900 1.900 1.900 peak 675 spectrum 1 weight .10000E+01 volume .26497E-03 ppm1 7.832 ppm2 1.959 CV 1
OR { 675}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 61 and name HB ))
OR { 675}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 57 and name HB2 ))
OR { 675}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 56 and name HB1 ))
OR { 675}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 56 and name HB2 ))
ASSI { 678}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HG2 ))
2.400 .700 .700 peak 678 spectrum 1 weight .10000E+01 volume .47875E-02 ppm1 7.776 ppm2 1.770 CV 1
OR { 678}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HB2 ))
OR { 678}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HD2 ))
ASSI { 684}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HA ))
2.400 .700 .700 peak 684 spectrum 1 weight .10000E+01 volume .43567E-02 ppm1 8.256 ppm2 4.057 CV 1
OR { 684}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HA ))
ASSI { 690}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HA ))
3.600 1.600 1.600 peak 690 spectrum 1 weight .10000E+01 volume .43981E-03 ppm1 8.022 ppm2 4.243 CV 1
OR { 690}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 36 and name HA ))
ASSI { 702}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 13 and name HN ))
2.500 .800 .800 peak 702 spectrum 1 weight .10000E+01 volume .35744E-02 ppm1 8.239 ppm2 8.359 CV 1
OR { 702}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HN ))
ASSI { 703}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HA ))
3.900 1.900 1.900 peak 703 spectrum 1 weight .10000E+01 volume .25236E-03 ppm1 8.084 ppm2 4.520 CV 1
OR { 703}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HB ))
OR { 703}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 53 and name HA ))
ASSI { 721}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 53 and name HA ))
3.300 3.300 2.700 peak 721 spectrum 1 weight .10000E+01 volume .74444E-03 ppm1 8.436 ppm2 4.474 CV 1
OR { 721}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 52 and name HB ))
ASSI { 770}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 39 and name HB2 ))
2.900 2.900 3.100 peak 770 spectrum 1 weight .10000E+01 volume .16276E-02 ppm1 8.369 ppm2 2.086 CV 1
OR { 770}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 61 and name HB ))
OR { 770}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 39 and name HG2 ))
OR { 770}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 39 and name HG2 ))
OR { 770}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 23 and name HB1 ))
ASSI { 832}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 54 and name HN ))
3.600 1.600 1.600 peak 832 spectrum 1 weight .10000E+01 volume .42540E-03 ppm1 8.826 ppm2 8.606 CV 1
OR { 832}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 42 and name HN ))
ASSI { 843}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 39 and name HB1 ))
4.100 2.100 1.900 peak 843 spectrum 1 weight .10000E+01 volume .18566E-03 ppm1 8.165 ppm2 2.292 CV 1
OR { 843}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HG1 ))
OR { 843}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HG2 ))
OR { 843}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HG1 ))
ASSI { 1061}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 58 and name HN ))
3.700 1.700 1.700 peak 1061 spectrum 1 weight .10000E+01 volume .32986E-03 ppm1 7.895 ppm2 8.349 CV 1
OR { 1061}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 57 and name HN ))
ASSI { 1088}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 26 and name HN ))
3.700 1.700 1.700 peak 1088 spectrum 1 weight .10000E+01 volume .37312E-03 ppm1 8.589 ppm2 8.278 CV 1
OR { 1088}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 29 and name HD22))
ASSI { 2099}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 28 and name HA ))
2.700 2.700 3.300 peak 2099 spectrum 1 weight .10000E+01 volume .21071E-02 ppm1 9.052 ppm2 4.268 CV 1
OR { 2099}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 22 and name HA ))
ASSI { 2326}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 30 and name HG1 ))
3.800 1.800 1.800 peak 2326 spectrum 1 weight .10000E+01 volume .31184E-03 ppm1 8.133 ppm2 1.446 CV 1
OR { 2326}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 23 and name HB2 ))
ASSI { 2351}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 23 and name HB2 ))
4.100 2.100 1.900 peak 2351 spectrum 1 weight .10000E+01 volume .18746E-03 ppm1 8.583 ppm2 1.449 CV 1
OR { 2351}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 30 and name HG1 ))
ASSI { 2385}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 37 and name HB2 ))
4.000 2.000 2.000 peak 2385 spectrum 1 weight .10000E+01 volume .21450E-03 ppm1 8.582 ppm2 1.880 CV 1
OR { 2385}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 35 and name HB1 ))
ASSI { 2415}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 51 and name HB1 ))
3.800 1.800 1.800 peak 2415 spectrum 1 weight .10000E+01 volume .27759E-03 ppm1 6.970 ppm2 3.892 CV 1
OR { 2415}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 25 and name HA ))
ASSI { 2435}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HA ))
2.700 .900 .900 peak 2435 spectrum 1 weight .10000E+01 volume .23379E-02 ppm1 7.778 ppm2 4.208 CV 1
OR { 2435}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 27 and name HA ))
ASSI { 2472}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 51 and name HB2 ))
3.900 1.900 1.900 peak 2472 spectrum 1 weight .10000E+01 volume .24875E-03 ppm1 7.517 ppm2 3.042 CV 1
OR { 2472}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 31 and name HE1 ))
ASSI { 2510}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HA ))
2.200 .600 .600 peak 2510 spectrum 1 weight .10000E+01 volume .68803E-02 ppm1 8.472 ppm2 4.581 CV 1
OR { 2510}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HA ))
ASSI { 2561}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 34 and name HB1 ))
3.800 1.800 1.800 peak 2561 spectrum 1 weight .10000E+01 volume .30824E-03 ppm1 7.453 ppm2 2.692 CV 1
OR { 2561}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 32 and name HB1 ))
ASSI { 2602}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 54 and name HB1 ))
2.800 1.000 1.000 peak 2602 spectrum 1 weight .10000E+01 volume .20008E-02 ppm1 8.312 ppm2 2.271 CV 1
OR { 2602}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HG2 ))
OR { 2602}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HG2 ))
OR { 2602}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG1 ))
OR { 2602}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG2 ))
ASSI { 2608}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HB2 ))
2.300 .700 .700 peak 2608 spectrum 1 weight .10000E+01 volume .60439E-02 ppm1 8.318 ppm2 1.926 CV 1
OR { 2608}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB1 ))
OR { 2608}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HB1 ))
OR { 2608}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HB1 ))
OR { 2608}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HB2 ))
ASSI { 2923}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HA ))
2.300 .700 .700 peak 2923 spectrum 1 weight .10000E+01 volume .62619E-02 ppm1 8.111 ppm2 4.185 CV 1
OR { 2923}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HA ))
ASSI { 2965}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 13 and name HD1 ))
3.800 1.800 1.800 peak 2965 spectrum 1 weight .10000E+01 volume .29021E-03 ppm1 8.359 ppm2 1.649 CV 1
OR { 2965}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 13 and name HD2 ))
OR { 2965}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 13 and name HB2 ))
OR { 2965}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 3033}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 56 and name HB2 ))
3.800 1.800 1.800 peak 3033 spectrum 1 weight .10000E+01 volume .30643E-03 ppm1 8.438 ppm2 1.965 CV 1
OR { 3033}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 56 and name HB1 ))
OR { 3033}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 57 and name HB2 ))
ASSI { 3148}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 59 and name HA ))
3.000 1.200 1.200 peak 3148 spectrum 1 weight .10000E+01 volume .11410E-02 ppm1 8.127 ppm2 4.083 CV 1
OR { 3148}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 58 and name HA ))
ASSI { 3442}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 30 and name HG2 ))
3.900 1.900 1.900 peak 3442 spectrum 1 weight .10000E+01 volume .25956E-03 ppm1 8.214 ppm2 1.641 CV 1
OR { 3442}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 30 and name HD1 ))
OR { 3442}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 31 and name HB2 ))
OR { 3442}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 30 and name HD2 ))
ASSI { 3443}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 30 and name HG2 ))
3.900 1.900 1.900 peak 3443 spectrum 1 weight .10000E+01 volume .25956E-03 ppm1 8.214 ppm2 1.558 CV 1
OR { 3443}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 30 and name HD1 ))
OR { 3443}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 31 and name HB2 ))
OR { 3443}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 41 and name HB1 ))
OR { 3443}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 30 and name HD2 ))
ASSI { 3444}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 53 and name HB2 ))
3.900 1.900 1.900 peak 3444 spectrum 1 weight .10000E+01 volume .23974E-03 ppm1 8.217 ppm2 1.763 CV 1
OR { 3444}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 25 and name HB1 ))
ASSI { 3445}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 30 and name HG2 ))
3.600 1.600 1.600 peak 3445 spectrum 1 weight .10000E+01 volume .44162E-03 ppm1 7.767 ppm2 1.641 CV 1
OR { 3445}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 31 and name HB2 ))
OR { 3445}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 30 and name HD1 ))
ASSI { 3446}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 30 and name HG2 ))
3.600 1.600 1.600 peak 3446 spectrum 1 weight .10000E+01 volume .44162E-03 ppm1 7.772 ppm2 1.567 CV 1
OR { 3446}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 31 and name HB2 ))
OR { 3446}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 30 and name HD1 ))
OR { 3446}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 30 and name HD2 ))
ASSI { 3447}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 53 and name HB2 ))
4.300 2.300 1.700 peak 3447 spectrum 1 weight .10000E+01 volume .14961E-03 ppm1 7.771 ppm2 1.774 CV 1
OR { 3447}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 25 and name HB1 ))
OR { 3447}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 30 and name HB2 ))
ASSI { 3797}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 54 and name HB1 ))
3.700 1.700 1.700 peak 3797 spectrum 1 weight .10000E+01 volume .33887E-03 ppm1 9.486 ppm2 2.275 CV 1
OR { 3797}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 39 and name HB1 ))
ASSI { 3847}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 59 and name HG1 ))
4.100 2.100 1.900 peak 3847 spectrum 1 weight .10000E+01 volume .19648E-03 ppm1 8.213 ppm2 1.478 CV 1
OR { 3847}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 60 and name HG1 ))
ASSI { 4060}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 59 and name HB2 ))
3.900 1.900 1.900 peak 4060 spectrum 1 weight .10000E+01 volume .23793E-03 ppm1 8.215 ppm2 1.770 CV 1
OR { 4060}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 60 and name HB1 ))
OR { 4060}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 60 and name HB2 ))
OR { 4060}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 59 and name HB1 ))
ASSI { 4157}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 58 and name HA ))
3.000 3.000 3.000 peak 4157 spectrum 1 weight .10000E+01 volume .12365E-02 ppm1 8.215 ppm2 4.062 CV 1
OR { 4157}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 57 and name HA ))
Contact the webmaster for help, if required. Saturday, May 11, 2024 5:30:40 PM GMT (wattos1)