NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
604949 |
2n5g   |
6999 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 39}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 50 and name HA ))
2.600 .900 .900 peak 39 spectrum 1 weight .10000E+01 volume .22986E-02 ppm1 7.949 ppm2 4.176 CV 1
ASSI { 43}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 47 and name HG1 ))
3.300 1.400 1.400 peak 43 spectrum 1 weight .10000E+01 volume .58209E-03 ppm1 7.949 ppm2 1.374 CV 1
ASSI { 56}
(( segid "A " and resid 78 and name HN ))
(( segid "A " and resid 77 and name HB ))
3.700 1.700 1.700 peak 56 spectrum 1 weight .10000E+01 volume .32054E-03 ppm1 8.769 ppm2 2.044 CV 1
ASSI { 59}
(( segid "A " and resid 78 and name HN ))
( segid "A " and resid 76 and name HB% )
3.200 3.200 2.800 peak 59 spectrum 1 weight .10000E+01 volume .69925E-03 ppm1 8.766 ppm2 1.107 CV 1
ASSI { 85}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 13 and name HA ))
3.500 1.500 1.500 peak 85 spectrum 1 weight .10000E+01 volume .41625E-03 ppm1 7.159 ppm2 3.856 CV 1
ASSI { 95}
(( segid "A " and resid 37 and name HN ))
(( segid "A " and resid 37 and name HB2 ))
2.800 1.000 1.000 peak 95 spectrum 1 weight .10000E+01 volume .15709E-02 ppm1 8.306 ppm2 1.945 CV 1
ASSI { 104}
(( segid "A " and resid 67 and name HN ))
(( segid "A " and resid 68 and name HG3 ))
2.700 2.700 3.300 peak 104 spectrum 1 weight .10000E+01 volume .21906E-02 ppm1 7.719 ppm2 1.590 CV 1
ASSI { 118}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 13 and name HA ))
3.200 1.300 1.300 peak 118 spectrum 1 weight .10000E+01 volume .75783E-03 ppm1 7.296 ppm2 3.855 CV 1
ASSI { 130}
(( segid "A " and resid 34 and name HN ))
( segid "A " and resid 32 and name HG1%)
3.700 1.700 1.700 peak 130 spectrum 1 weight .10000E+01 volume .29294E-03 ppm1 6.871 ppm2 .828 CV 1
ASSI { 131}
(( segid "A " and resid 34 and name HN ))
(( segid "A " and resid 4 and name HG2 ))
3.200 1.300 1.300 peak 131 spectrum 1 weight .10000E+01 volume .75576E-03 ppm1 6.872 ppm2 1.418 CV 1
ASSI { 148}
(( segid "A " and resid 29 and name HN ))
( segid "A " and resid 30 and name HG1%)
3.500 1.600 1.600 peak 148 spectrum 1 weight .10000E+01 volume .39669E-03 ppm1 7.856 ppm2 .913 CV 1
ASSI { 149}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 28 and name HG2 ))
3.700 1.700 1.700 peak 149 spectrum 1 weight .10000E+01 volume .29571E-03 ppm1 7.862 ppm2 .593 CV 1
ASSI { 155}
(( segid "A " and resid 47 and name HN ))
( segid "A " and resid 50 and name HB% )
2.500 .800 .800 peak 155 spectrum 1 weight .10000E+01 volume .30635E-02 ppm1 7.966 ppm2 1.534 CV 1
ASSI { 157}
(( segid "A " and resid 47 and name HN ))
( segid "A " and resid 51 and name HG2%)
3.600 1.600 1.600 peak 157 spectrum 1 weight .10000E+01 volume .38419E-03 ppm1 7.965 ppm2 .990 CV 1
ASSI { 158}
(( segid "A " and resid 47 and name HN ))
( segid "A " and resid 46 and name HD2%)
2.700 2.700 3.300 peak 158 spectrum 1 weight .10000E+01 volume .18126E-02 ppm1 7.966 ppm2 .834 CV 1
ASSI { 159}
(( segid "A " and resid 47 and name HN ))
( segid "A " and resid 46 and name HD1%)
3.200 1.300 1.300 peak 159 spectrum 1 weight .10000E+01 volume .76195E-03 ppm1 7.967 ppm2 .731 CV 1
ASSI { 171}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 23 and name HG1 ))
3.600 1.600 1.600 peak 171 spectrum 1 weight .10000E+01 volume .39096E-03 ppm1 8.498 ppm2 1.184 CV 1
ASSI { 178}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 43 and name HA ))
3.600 1.600 1.600 peak 178 spectrum 1 weight .10000E+01 volume .36167E-03 ppm1 7.612 ppm2 4.215 CV 1
ASSI { 202}
(( segid "A " and resid 39 and name HN ))
(( segid "A " and resid 39 and name HG1 ))
2.700 .900 .900 peak 202 spectrum 1 weight .10000E+01 volume .19427E-02 ppm1 7.324 ppm2 .995 CV 1
ASSI { 236}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 6 and name HA ))
3.100 1.200 1.200 peak 236 spectrum 1 weight .10000E+01 volume .87045E-03 ppm1 8.629 ppm2 4.492 CV 1
ASSI { 265}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 42 and name HG1 ))
2.700 .900 .900 peak 265 spectrum 1 weight .10000E+01 volume .22512E-02 ppm1 7.812 ppm2 1.261 CV 1
ASSI { 285}
(( segid "A " and resid 97 and name HE21))
(( segid "A " and resid 97 and name HG3 ))
3.100 1.200 1.200 peak 285 spectrum 1 weight .10000E+01 volume .91171E-03 ppm1 7.068 ppm2 2.377 CV 1
ASSI { 286}
(( segid "A " and resid 97 and name HE22))
(( segid "A " and resid 97 and name HG3 ))
3.300 1.400 1.400 peak 286 spectrum 1 weight .10000E+01 volume .61591E-03 ppm1 6.634 ppm2 2.377 CV 1
ASSI { 289}
(( segid "A " and resid 97 and name HE22))
(( segid "A " and resid 94 and name HG2 ))
3.700 3.700 2.300 peak 289 spectrum 1 weight .10000E+01 volume .30593E-03 ppm1 6.635 ppm2 1.757 CV 1
ASSI { 302}
(( segid "A " and resid 53 and name HE22))
(( segid "A " and resid 53 and name HG3 ))
3.000 1.100 1.100 peak 302 spectrum 1 weight .10000E+01 volume .11196E-02 ppm1 7.441 ppm2 2.536 CV 1
ASSI { 303}
(( segid "A " and resid 53 and name HE21))
(( segid "A " and resid 53 and name HG3 ))
3.300 1.400 1.400 peak 303 spectrum 1 weight .10000E+01 volume .61303E-03 ppm1 6.843 ppm2 2.537 CV 1
ASSI { 304}
(( segid "A " and resid 53 and name HE22))
(( segid "A " and resid 53 and name HG2 ))
3.300 1.400 1.400 peak 304 spectrum 1 weight .10000E+01 volume .59900E-03 ppm1 7.441 ppm2 2.421 CV 1
ASSI { 305}
(( segid "A " and resid 53 and name HE21))
(( segid "A " and resid 53 and name HG2 ))
3.500 1.500 1.500 peak 305 spectrum 1 weight .10000E+01 volume .41625E-03 ppm1 6.844 ppm2 2.419 CV 1
ASSI { 342}
(( segid "A " and resid 70 and name HN ))
(( segid "A " and resid 70 and name HA2 ))
2.700 .900 .900 peak 342 spectrum 1 weight .10000E+01 volume .20301E-02 ppm1 8.954 ppm2 3.776 CV 1
ASSI { 343}
(( segid "A " and resid 70 and name HN ))
(( segid "A " and resid 69 and name HG3 ))
3.100 1.200 1.200 peak 343 spectrum 1 weight .10000E+01 volume .85148E-03 ppm1 8.955 ppm2 2.321 CV 1
ASSI { 378}
(( segid "A " and resid 15 and name HE21))
(( segid "A " and resid 15 and name HG2 ))
2.700 .900 .900 peak 378 spectrum 1 weight .10000E+01 volume .20482E-02 ppm1 7.533 ppm2 2.482 CV 1
ASSI { 379}
(( segid "A " and resid 15 and name HE22))
(( segid "A " and resid 15 and name HG2 ))
2.800 2.800 3.200 peak 379 spectrum 1 weight .10000E+01 volume .18086E-02 ppm1 6.854 ppm2 2.479 CV 1
ASSI { 400}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 6 and name HA ))
3.300 1.300 1.300 peak 400 spectrum 1 weight .10000E+01 volume .63695E-03 ppm1 8.416 ppm2 4.491 CV 1
ASSI { 404}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 7 and name HG2 ))
3.400 1.500 1.500 peak 404 spectrum 1 weight .10000E+01 volume .50041E-03 ppm1 8.416 ppm2 2.367 CV 1
ASSI { 408}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 6 and name HG1 ))
3.200 1.300 1.300 peak 408 spectrum 1 weight .10000E+01 volume .68027E-03 ppm1 8.416 ppm2 1.291 CV 1
ASSI { 422}
(( segid "A " and resid 83 and name HN ))
( segid "A " and resid 86 and name HG1%)
3.600 3.600 2.400 peak 422 spectrum 1 weight .10000E+01 volume .37190E-03 ppm1 7.978 ppm2 1.016 CV 1
ASSI { 439}
(( segid "A " and resid 91 and name HN ))
(( segid "A " and resid 92 and name HB2 ))
3.300 1.400 1.400 peak 439 spectrum 1 weight .10000E+01 volume .59941E-03 ppm1 7.857 ppm2 2.757 CV 1
ASSI { 442}
(( segid "A " and resid 91 and name HN ))
(( segid "A " and resid 90 and name HB3 ))
3.200 1.200 1.200 peak 442 spectrum 1 weight .10000E+01 volume .78629E-03 ppm1 7.857 ppm2 2.088 CV 1
ASSI { 443}
(( segid "A " and resid 91 and name HN ))
( segid "A " and resid 91 and name HB% )
2.400 .700 .700 peak 443 spectrum 1 weight .10000E+01 volume .45791E-02 ppm1 7.858 ppm2 1.634 CV 1
ASSI { 444}
(( segid "A " and resid 91 and name HN ))
( segid "B " and resid 76 and name HB% )
3.500 3.500 2.500 peak 444 spectrum 1 weight .10000E+01 volume .43192E-03 ppm1 7.857 ppm2 1.098 CV 1
ASSI { 448}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 6 and name HG1 ))
3.300 1.300 1.300 peak 448 spectrum 1 weight .10000E+01 volume .62499E-03 ppm1 7.684 ppm2 1.291 CV 1
ASSI { 476}
(( segid "A " and resid 35 and name HN ))
(( segid "A " and resid 29 and name HA2 ))
3.300 3.300 2.700 peak 476 spectrum 1 weight .10000E+01 volume .58868E-03 ppm1 8.564 ppm2 3.989 CV 1
ASSI { 482}
(( segid "A " and resid 35 and name HN ))
(( segid "A " and resid 4 and name HG2 ))
2.400 2.400 3.600 peak 482 spectrum 1 weight .10000E+01 volume .39467E-02 ppm1 8.565 ppm2 1.419 CV 1
ASSI { 497}
(( segid "A " and resid 69 and name HN ))
(( segid "A " and resid 69 and name HA ))
2.700 .900 .900 peak 497 spectrum 1 weight .10000E+01 volume .19785E-02 ppm1 8.427 ppm2 4.111 CV 1
ASSI { 498}
(( segid "A " and resid 69 and name HN ))
(( segid "A " and resid 69 and name HG3 ))
3.000 3.000 3.000 peak 498 spectrum 1 weight .10000E+01 volume .10371E-02 ppm1 8.427 ppm2 2.329 CV 1
ASSI { 499}
(( segid "A " and resid 69 and name HN ))
(( segid "A " and resid 68 and name HB3 ))
2.800 2.800 3.200 peak 499 spectrum 1 weight .10000E+01 volume .15718E-02 ppm1 8.427 ppm2 2.107 CV 1
ASSI { 500}
(( segid "A " and resid 69 and name HN ))
(( segid "A " and resid 69 and name HB3 ))
2.500 .800 .800 peak 500 spectrum 1 weight .10000E+01 volume .34418E-02 ppm1 8.427 ppm2 2.033 CV 1
ASSI { 501}
(( segid "A " and resid 69 and name HN ))
(( segid "A " and resid 69 and name HB2 ))
2.500 .800 .800 peak 501 spectrum 1 weight .10000E+01 volume .32433E-02 ppm1 8.427 ppm2 1.983 CV 1
ASSI { 503}
(( segid "A " and resid 69 and name HN ))
(( segid "A " and resid 68 and name HG2 ))
3.000 3.000 3.000 peak 503 spectrum 1 weight .10000E+01 volume .11196E-02 ppm1 8.428 ppm2 1.425 CV 1
ASSI { 508}
(( segid "A " and resid 93 and name HN ))
(( segid "A " and resid 91 and name HA ))
3.300 1.300 1.300 peak 508 spectrum 1 weight .10000E+01 volume .63902E-03 ppm1 8.021 ppm2 4.210 CV 1
ASSI { 509}
(( segid "A " and resid 71 and name HN ))
(( segid "A " and resid 69 and name HA ))
3.100 1.200 1.200 peak 509 spectrum 1 weight .10000E+01 volume .84363E-03 ppm1 8.020 ppm2 4.125 CV 1
ASSI { 510}
(( segid "A " and resid 93 and name HN ))
(( segid "A " and resid 89 and name HA ))
3.600 1.600 1.600 peak 510 spectrum 1 weight .10000E+01 volume .37644E-03 ppm1 8.027 ppm2 4.756 CV 1
ASSI { 511}
(( segid "A " and resid 93 and name HN ))
(( segid "A " and resid 92 and name HB3 ))
2.900 1.100 1.100 peak 511 spectrum 1 weight .10000E+01 volume .12917E-02 ppm1 8.025 ppm2 2.956 CV 1
ASSI { 512}
(( segid "A " and resid 93 and name HN ))
(( segid "A " and resid 92 and name HB2 ))
2.900 1.100 1.100 peak 512 spectrum 1 weight .10000E+01 volume .12891E-02 ppm1 8.025 ppm2 2.758 CV 1
ASSI { 513}
(( segid "A " and resid 93 and name HN ))
(( segid "A " and resid 94 and name HB2 ))
3.200 3.200 2.800 peak 513 spectrum 1 weight .10000E+01 volume .78464E-03 ppm1 8.024 ppm2 1.963 CV 1
ASSI { 514}
(( segid "A " and resid 93 and name HN ))
( segid "A " and resid 93 and name HB% )
2.400 .700 .700 peak 514 spectrum 1 weight .10000E+01 volume .43564E-02 ppm1 8.025 ppm2 1.768 CV 1
ASSI { 527}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 59 and name HH2 ))
3.100 1.200 1.200 peak 527 spectrum 1 weight .10000E+01 volume .84694E-03 ppm1 7.823 ppm2 7.303 CV 1
ASSI { 535}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 6 and name HA ))
2.500 .800 .800 peak 535 spectrum 1 weight .10000E+01 volume .32438E-02 ppm1 9.154 ppm2 4.491 CV 1
ASSI { 542}
(( segid "A " and resid 7 and name HN ))
( segid "A " and resid 32 and name HG1%)
3.000 1.100 1.100 peak 542 spectrum 1 weight .10000E+01 volume .10441E-02 ppm1 9.155 ppm2 .836 CV 1
ASSI { 547}
(( segid "A " and resid 13 and name HN ))
( segid "A " and resid 61 and name HB% )
3.500 3.500 2.500 peak 547 spectrum 1 weight .10000E+01 volume .42573E-03 ppm1 8.091 ppm2 1.548 CV 1
ASSI { 565}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 42 and name HB ))
3.700 1.700 1.700 peak 565 spectrum 1 weight .10000E+01 volume .31666E-03 ppm1 7.618 ppm2 4.173 CV 1
ASSI { 567}
(( segid "A " and resid 41 and name HN ))
( segid "A " and resid 51 and name HG1%)
3.200 1.300 1.300 peak 567 spectrum 1 weight .10000E+01 volume .68769E-03 ppm1 7.618 ppm2 1.056 CV 1
ASSI { 568}
(( segid "A " and resid 41 and name HN ))
( segid "A " and resid 51 and name HG2%)
2.800 1.000 1.000 peak 568 spectrum 1 weight .10000E+01 volume .16374E-02 ppm1 7.619 ppm2 .991 CV 1
ASSI { 598}
(( segid "A " and resid 40 and name HN ))
( segid "A " and resid 51 and name HG1%)
3.300 1.400 1.400 peak 598 spectrum 1 weight .10000E+01 volume .56806E-03 ppm1 7.387 ppm2 1.056 CV 1
ASSI { 599}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 39 and name HG1 ))
2.900 1.000 1.000 peak 599 spectrum 1 weight .10000E+01 volume .13733E-02 ppm1 7.385 ppm2 .994 CV 1
ASSI { 602}
(( segid "A " and resid 98 and name HN ))
(( segid "A " and resid 98 and name HG3 ))
2.900 2.900 3.100 peak 602 spectrum 1 weight .10000E+01 volume .14377E-02 ppm1 8.138 ppm2 2.287 CV 1
ASSI { 603}
(( segid "A " and resid 98 and name HN ))
(( segid "A " and resid 98 and name HB2 ))
2.300 .700 .700 peak 603 spectrum 1 weight .10000E+01 volume .48679E-02 ppm1 8.138 ppm2 2.052 CV 1
ASSI { 608}
(( segid "A " and resid 98 and name HN ))
(( segid "A " and resid 99 and name HN ))
2.600 2.600 3.400 peak 608 spectrum 1 weight .10000E+01 volume .25082E-02 ppm1 8.137 ppm2 8.029 CV 1
ASSI { 610}
(( segid "A " and resid 48 and name HN ))
(( segid "A " and resid 47 and name HB ))
2.700 .900 .900 peak 610 spectrum 1 weight .10000E+01 volume .19125E-02 ppm1 9.002 ppm2 4.694 CV 1
ASSI { 611}
(( segid "A " and resid 48 and name HN ))
(( segid "A " and resid 47 and name HA ))
2.600 .800 .800 peak 611 spectrum 1 weight .10000E+01 volume .26472E-02 ppm1 9.002 ppm2 4.403 CV 1
ASSI { 612}
(( segid "A " and resid 48 and name HN ))
(( segid "A " and resid 48 and name HA ))
2.900 1.100 1.100 peak 612 spectrum 1 weight .10000E+01 volume .12578E-02 ppm1 9.002 ppm2 3.888 CV 1
ASSI { 613}
(( segid "A " and resid 48 and name HN ))
(( segid "A " and resid 48 and name HB3 ))
2.700 .900 .900 peak 613 spectrum 1 weight .10000E+01 volume .21060E-02 ppm1 9.002 ppm2 1.877 CV 1
ASSI { 615}
(( segid "A " and resid 48 and name HN ))
(( segid "A " and resid 48 and name HG2 ))
3.200 1.300 1.300 peak 615 spectrum 1 weight .10000E+01 volume .66872E-03 ppm1 9.001 ppm2 1.628 CV 1
ASSI { 616}
(( segid "A " and resid 48 and name HN ))
( segid "A " and resid 41 and name HB% )
3.400 1.500 1.500 peak 616 spectrum 1 weight .10000E+01 volume .48638E-03 ppm1 9.003 ppm2 1.436 CV 1
ASSI { 617}
(( segid "A " and resid 48 and name HN ))
(( segid "A " and resid 47 and name HG1 ))
3.000 3.000 3.000 peak 617 spectrum 1 weight .10000E+01 volume .98760E-03 ppm1 9.002 ppm2 1.373 CV 1
ASSI { 622}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 46 and name HA ))
2.900 1.100 1.100 peak 622 spectrum 1 weight .10000E+01 volume .12001E-02 ppm1 7.923 ppm2 4.777 CV 1
ASSI { 623}
(( segid "A " and resid 96 and name HN ))
(( segid "A " and resid 92 and name HA ))
3.700 1.700 1.700 peak 623 spectrum 1 weight .10000E+01 volume .30379E-03 ppm1 7.924 ppm2 4.480 CV 1
ASSI { 624}
(( segid "A " and resid 96 and name HN ))
(( segid "A " and resid 93 and name HA ))
3.000 1.200 1.200 peak 624 spectrum 1 weight .10000E+01 volume .99049E-03 ppm1 7.923 ppm2 4.350 CV 1
ASSI { 644}
(( segid "A " and resid 92 and name HN ))
(( segid "A " and resid 92 and name HB2 ))
2.700 .900 .900 peak 644 spectrum 1 weight .10000E+01 volume .18869E-02 ppm1 8.809 ppm2 2.757 CV 1
ASSI { 647}
(( segid "A " and resid 92 and name HN ))
( segid "A " and resid 91 and name HB% )
2.600 .800 .800 peak 647 spectrum 1 weight .10000E+01 volume .27062E-02 ppm1 8.810 ppm2 1.635 CV 1
ASSI { 648}
(( segid "A " and resid 92 and name HN ))
(( segid "A " and resid 92 and name HB3 ))
2.700 .900 .900 peak 648 spectrum 1 weight .10000E+01 volume .19611E-02 ppm1 8.809 ppm2 2.955 CV 1
ASSI { 656}
(( segid "A " and resid 28 and name HN ))
( segid "A " and resid 27 and name HB% )
2.800 1.000 1.000 peak 656 spectrum 1 weight .10000E+01 volume .17293E-02 ppm1 9.096 ppm2 1.645 CV 1
ASSI { 657}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 28 and name HB3 ))
2.600 .900 .900 peak 657 spectrum 1 weight .10000E+01 volume .24203E-02 ppm1 9.096 ppm2 1.526 CV 1
ASSI { 658}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 26 and name HG13))
3.300 3.300 2.700 peak 658 spectrum 1 weight .10000E+01 volume .59900E-03 ppm1 9.098 ppm2 1.186 CV 1
ASSI { 660}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 28 and name HG2 ))
3.500 1.500 1.500 peak 660 spectrum 1 weight .10000E+01 volume .43481E-03 ppm1 9.098 ppm2 .600 CV 1
ASSI { 665}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 10 and name HZ ))
3.000 1.100 1.100 peak 665 spectrum 1 weight .10000E+01 volume .10384E-02 ppm1 9.096 ppm2 7.567 CV 1
ASSI { 666}
(( segid "A " and resid 28 and name HN ))
( segid "A " and resid 10 and name HE% )
3.000 1.200 1.200 peak 666 spectrum 1 weight .10000E+01 volume .99132E-03 ppm1 9.095 ppm2 7.131 CV 1
ASSI { 669}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 46 and name HB3 ))
2.800 1.000 1.000 peak 669 spectrum 1 weight .10000E+01 volume .17632E-02 ppm1 7.880 ppm2 1.637 CV 1
ASSI { 672}
(( segid "A " and resid 46 and name HN ))
( segid "A " and resid 51 and name HG2%)
3.200 1.300 1.300 peak 672 spectrum 1 weight .10000E+01 volume .71327E-03 ppm1 7.879 ppm2 .987 CV 1
ASSI { 673}
(( segid "A " and resid 46 and name HN ))
( segid "A " and resid 46 and name HD2%)
2.700 .900 .900 peak 673 spectrum 1 weight .10000E+01 volume .18803E-02 ppm1 7.880 ppm2 .836 CV 1
ASSI { 674}
(( segid "A " and resid 46 and name HN ))
( segid "A " and resid 46 and name HD1%)
2.800 1.000 1.000 peak 674 spectrum 1 weight .10000E+01 volume .15247E-02 ppm1 7.880 ppm2 .732 CV 1
ASSI { 678}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 45 and name HN ))
2.500 .800 .800 peak 678 spectrum 1 weight .10000E+01 volume .29080E-02 ppm1 7.880 ppm2 7.628 CV 1
ASSI { 681}
(( segid "A " and resid 95 and name HN ))
(( segid "A " and resid 93 and name HA ))
3.500 1.500 1.500 peak 681 spectrum 1 weight .10000E+01 volume .42491E-03 ppm1 7.788 ppm2 4.350 CV 1
ASSI { 685}
(( segid "A " and resid 95 and name HN ))
(( segid "A " and resid 95 and name HB3 ))
2.100 2.100 3.900 peak 685 spectrum 1 weight .10000E+01 volume .84322E-02 ppm1 7.789 ppm2 1.955 CV 1
ASSI { 686}
(( segid "A " and resid 95 and name HN ))
(( segid "A " and resid 95 and name HB2 ))
2.800 1.000 1.000 peak 686 spectrum 1 weight .10000E+01 volume .15586E-02 ppm1 7.790 ppm2 1.750 CV 1
ASSI { 687}
(( segid "A " and resid 95 and name HN ))
(( segid "A " and resid 95 and name HG3 ))
2.800 2.800 3.200 peak 687 spectrum 1 weight .10000E+01 volume .17278E-02 ppm1 7.789 ppm2 1.590 CV 1
ASSI { 688}
(( segid "A " and resid 95 and name HN ))
(( segid "A " and resid 94 and name HD3 ))
2.800 2.800 3.200 peak 688 spectrum 1 weight .10000E+01 volume .17450E-02 ppm1 7.789 ppm2 1.516 CV 1
ASSI { 689}
(( segid "A " and resid 61 and name HN ))
( segid "A " and resid 61 and name HB% )
2.300 .700 .700 peak 689 spectrum 1 weight .10000E+01 volume .48267E-02 ppm1 7.045 ppm2 1.541 CV 1
ASSI { 690}
(( segid "A " and resid 61 and name HN ))
( segid "A " and resid 60 and name HB% )
2.600 .800 .800 peak 690 spectrum 1 weight .10000E+01 volume .26076E-02 ppm1 7.044 ppm2 1.313 CV 1
ASSI { 691}
(( segid "A " and resid 61 and name HN ))
( segid "A " and resid 58 and name HG1%)
3.400 1.500 1.500 peak 691 spectrum 1 weight .10000E+01 volume .47235E-03 ppm1 7.046 ppm2 .793 CV 1
ASSI { 693}
(( segid "A " and resid 61 and name HN ))
( segid "A " and resid 58 and name HG2%)
3.700 1.700 1.700 peak 693 spectrum 1 weight .10000E+01 volume .29324E-03 ppm1 7.044 ppm2 .638 CV 1
ASSI { 694}
(( segid "A " and resid 61 and name HN ))
(( segid "A " and resid 58 and name HA ))
3.100 1.200 1.200 peak 694 spectrum 1 weight .10000E+01 volume .93191E-03 ppm1 7.044 ppm2 3.532 CV 1
ASSI { 695}
(( segid "A " and resid 61 and name HN ))
(( segid "A " and resid 62 and name HB2 ))
3.700 1.700 1.700 peak 695 spectrum 1 weight .10000E+01 volume .32314E-03 ppm1 7.044 ppm2 2.668 CV 1
ASSI { 696}
(( segid "A " and resid 61 and name HN ))
(( segid "A " and resid 61 and name HA ))
2.600 .800 .800 peak 696 spectrum 1 weight .10000E+01 volume .26691E-02 ppm1 7.044 ppm2 4.131 CV 1
ASSI { 697}
(( segid "A " and resid 61 and name HN ))
(( segid "A " and resid 60 and name HA ))
3.000 1.100 1.100 peak 697 spectrum 1 weight .10000E+01 volume .10338E-02 ppm1 7.044 ppm2 3.976 CV 1
ASSI { 699}
(( segid "A " and resid 61 and name HN ))
(( segid "A " and resid 62 and name HN ))
2.800 1.000 1.000 peak 699 spectrum 1 weight .10000E+01 volume .17735E-02 ppm1 7.045 ppm2 7.820 CV 1
ASSI { 701}
(( segid "A " and resid 61 and name HN ))
(( segid "A " and resid 60 and name HN ))
2.800 1.000 1.000 peak 701 spectrum 1 weight .10000E+01 volume .14769E-02 ppm1 7.045 ppm2 8.740 CV 1
ASSI { 702}
(( segid "A " and resid 21 and name HN ))
(( segid "A " and resid 19 and name HB ))
2.500 2.500 3.500 peak 702 spectrum 1 weight .10000E+01 volume .34781E-02 ppm1 8.543 ppm2 2.182 CV 1
ASSI { 704}
(( segid "A " and resid 21 and name HN ))
( segid "A " and resid 24 and name HD1%)
3.600 1.600 1.600 peak 704 spectrum 1 weight .10000E+01 volume .37483E-03 ppm1 8.543 ppm2 .772 CV 1
ASSI { 713}
(( segid "A " and resid 25 and name HN ))
( segid "A " and resid 24 and name HG2%)
2.900 1.100 1.100 peak 713 spectrum 1 weight .10000E+01 volume .12661E-02 ppm1 8.297 ppm2 1.099 CV 1
ASSI { 714}
(( segid "A " and resid 25 and name HN ))
( segid "A " and resid 24 and name HD1%)
3.200 3.200 2.800 peak 714 spectrum 1 weight .10000E+01 volume .72813E-03 ppm1 8.297 ppm2 .769 CV 1
ASSI { 716}
(( segid "A " and resid 25 and name HN ))
(( segid "A " and resid 25 and name HG2 ))
2.900 1.000 1.000 peak 716 spectrum 1 weight .10000E+01 volume .13329E-02 ppm1 8.297 ppm2 2.304 CV 1
ASSI { 717}
(( segid "A " and resid 25 and name HN ))
(( segid "A " and resid 25 and name HB3 ))
2.500 .800 .800 peak 717 spectrum 1 weight .10000E+01 volume .34277E-02 ppm1 8.296 ppm2 2.177 CV 1
ASSI { 719}
(( segid "A " and resid 25 and name HN ))
(( segid "A " and resid 24 and name HG13))
3.200 1.300 1.300 peak 719 spectrum 1 weight .10000E+01 volume .76402E-03 ppm1 8.298 ppm2 1.640 CV 1
OR { 719}
(( segid "A " and resid 25 and name HN ))
(( segid "A " and resid 24 and name HG12))
ASSI { 727}
(( segid "A " and resid 97 and name HN ))
(( segid "A " and resid 98 and name HN ))
2.700 .900 .900 peak 727 spectrum 1 weight .10000E+01 volume .18349E-02 ppm1 8.003 ppm2 8.151 CV 1
ASSI { 729}
(( segid "A " and resid 97 and name HN ))
(( segid "A " and resid 95 and name HN ))
3.700 1.700 1.700 peak 729 spectrum 1 weight .10000E+01 volume .32441E-03 ppm1 8.001 ppm2 7.804 CV 1
ASSI { 731}
(( segid "A " and resid 97 and name HN ))
(( segid "A " and resid 98 and name HA ))
3.400 1.500 1.500 peak 731 spectrum 1 weight .10000E+01 volume .48844E-03 ppm1 8.005 ppm2 4.329 CV 1
ASSI { 733}
(( segid "A " and resid 97 and name HN ))
(( segid "A " and resid 97 and name HG3 ))
2.700 .900 .900 peak 733 spectrum 1 weight .10000E+01 volume .18585E-02 ppm1 8.003 ppm2 2.377 CV 1
ASSI { 736}
(( segid "A " and resid 97 and name HN ))
(( segid "A " and resid 98 and name HB2 ))
2.500 2.500 3.500 peak 736 spectrum 1 weight .10000E+01 volume .36002E-02 ppm1 8.003 ppm2 2.053 CV 1
ASSI { 741}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 52 and name HN ))
2.700 .900 .900 peak 741 spectrum 1 weight .10000E+01 volume .21543E-02 ppm1 7.734 ppm2 8.344 CV 1
ASSI { 746}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 48 and name HA ))
3.000 1.100 1.100 peak 746 spectrum 1 weight .10000E+01 volume .11634E-02 ppm1 7.734 ppm2 3.890 CV 1
ASSI { 749}
(( segid "A " and resid 51 and name HN ))
( segid "A " and resid 50 and name HB% )
2.600 .900 .900 peak 749 spectrum 1 weight .10000E+01 volume .23968E-02 ppm1 7.734 ppm2 1.536 CV 1
ASSI { 762}
(( segid "A " and resid 27 and name HN ))
( segid "A " and resid 27 and name HB% )
2.400 .700 .700 peak 762 spectrum 1 weight .10000E+01 volume .40111E-02 ppm1 8.357 ppm2 1.650 CV 1
ASSI { 770}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 39 and name HG1 ))
3.600 1.700 1.700 peak 770 spectrum 1 weight .10000E+01 volume .33556E-03 ppm1 8.931 ppm2 .998 CV 1
ASSI { 791}
(( segid "A " and resid 60 and name HN ))
( segid "A " and resid 61 and name HB% )
3.400 1.500 1.500 peak 791 spectrum 1 weight .10000E+01 volume .47441E-03 ppm1 8.721 ppm2 1.539 CV 1
ASSI { 792}
(( segid "A " and resid 60 and name HN ))
( segid "A " and resid 60 and name HB% )
2.300 .700 .700 peak 792 spectrum 1 weight .10000E+01 volume .53052E-02 ppm1 8.724 ppm2 1.312 CV 1
ASSI { 800}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 31 and name HN ))
3.000 1.100 1.100 peak 800 spectrum 1 weight .10000E+01 volume .10714E-02 ppm1 8.084 ppm2 8.973 CV 1
ASSI { 801}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 5 and name HN ))
2.200 2.200 3.800 peak 801 spectrum 1 weight .10000E+01 volume .67738E-02 ppm1 8.084 ppm2 8.100 CV 1
ASSI { 808}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 28 and name HA ))
3.100 1.200 1.200 peak 808 spectrum 1 weight .10000E+01 volume .83002E-03 ppm1 8.085 ppm2 2.876 CV 1
ASSI { 812}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 28 and name HB3 ))
3.700 3.700 2.300 peak 812 spectrum 1 weight .10000E+01 volume .29496E-03 ppm1 8.083 ppm2 1.511 CV 1
ASSI { 818}
(( segid "A " and resid 62 and name HN ))
(( segid "A " and resid 63 and name HB3 ))
3.500 1.500 1.500 peak 818 spectrum 1 weight .10000E+01 volume .42903E-03 ppm1 7.807 ppm2 1.790 CV 1
ASSI { 819}
(( segid "A " and resid 62 and name HN ))
( segid "A " and resid 61 and name HB% )
2.700 .900 .900 peak 819 spectrum 1 weight .10000E+01 volume .18980E-02 ppm1 7.804 ppm2 1.542 CV 1
ASSI { 821}
(( segid "A " and resid 62 and name HN ))
( segid "A " and resid 58 and name HG2%)
3.400 3.400 2.600 peak 821 spectrum 1 weight .10000E+01 volume .50041E-03 ppm1 7.804 ppm2 .631 CV 1
ASSI { 843}
(( segid "A " and resid 82 and name HN ))
( segid "A " and resid 86 and name HG2%)
3.500 3.500 2.500 peak 843 spectrum 1 weight .10000E+01 volume .44884E-03 ppm1 6.525 ppm2 1.645 CV 1
ASSI { 853}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 57 and name HG2 ))
3.700 1.700 1.700 peak 853 spectrum 1 weight .10000E+01 volume .32561E-03 ppm1 8.235 ppm2 1.191 CV 1
ASSI { 854}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 57 and name HB3 ))
2.600 .800 .800 peak 854 spectrum 1 weight .10000E+01 volume .27124E-02 ppm1 8.238 ppm2 2.081 CV 1
ASSI { 855}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 57 and name HB2 ))
2.600 .800 .800 peak 855 spectrum 1 weight .10000E+01 volume .27644E-02 ppm1 8.238 ppm2 1.934 CV 1
ASSI { 857}
(( segid "A " and resid 57 and name HN ))
( segid "A " and resid 54 and name HB% )
2.900 2.900 3.100 peak 857 spectrum 1 weight .10000E+01 volume .12096E-02 ppm1 8.237 ppm2 1.699 CV 1
ASSI { 859}
(( segid "A " and resid 57 and name HN ))
( segid "A " and resid 60 and name HB% )
3.700 1.700 1.700 peak 859 spectrum 1 weight .10000E+01 volume .32059E-03 ppm1 8.240 ppm2 1.312 CV 1
ASSI { 861}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 56 and name HA ))
3.200 1.200 1.200 peak 861 spectrum 1 weight .10000E+01 volume .79537E-03 ppm1 8.238 ppm2 4.370 CV 1
ASSI { 862}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 54 and name HA ))
3.000 1.100 1.100 peak 862 spectrum 1 weight .10000E+01 volume .10598E-02 ppm1 8.238 ppm2 4.183 CV 1
ASSI { 863}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 57 and name HA ))
2.600 .800 .800 peak 863 spectrum 1 weight .10000E+01 volume .26522E-02 ppm1 8.238 ppm2 4.083 CV 1
ASSI { 864}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 53 and name HN ))
2.100 2.100 3.900 peak 864 spectrum 1 weight .10000E+01 volume .10466E-01 ppm1 8.238 ppm2 8.253 CV 1
ASSI { 865}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 58 and name HN ))
2.800 1.000 1.000 peak 865 spectrum 1 weight .10000E+01 volume .16130E-02 ppm1 8.238 ppm2 7.134 CV 1
ASSI { 870}
(( segid "A " and resid 66 and name HN ))
(( segid "A " and resid 66 and name HD21))
3.300 1.300 1.300 peak 870 spectrum 1 weight .10000E+01 volume .62292E-03 ppm1 7.477 ppm2 7.106 CV 1
ASSI { 871}
(( segid "A " and resid 66 and name HN ))
(( segid "A " and resid 66 and name HA ))
2.600 .900 .900 peak 871 spectrum 1 weight .10000E+01 volume .22793E-02 ppm1 7.478 ppm2 4.547 CV 1
ASSI { 873}
(( segid "A " and resid 66 and name HN ))
(( segid "A " and resid 66 and name HB3 ))
2.800 1.000 1.000 peak 873 spectrum 1 weight .10000E+01 volume .15012E-02 ppm1 7.477 ppm2 2.426 CV 1
ASSI { 874}
(( segid "A " and resid 66 and name HN ))
(( segid "A " and resid 66 and name HB2 ))
2.700 .900 .900 peak 874 spectrum 1 weight .10000E+01 volume .19748E-02 ppm1 7.478 ppm2 2.012 CV 1
ASSI { 877}
(( segid "A " and resid 66 and name HN ))
(( segid "A " and resid 65 and name HG2 ))
3.500 1.500 1.500 peak 877 spectrum 1 weight .10000E+01 volume .41707E-03 ppm1 7.478 ppm2 1.395 CV 1
ASSI { 882}
(( segid "A " and resid 44 and name HN ))
( segid "A " and resid 44 and name HD1%)
2.600 .900 .900 peak 882 spectrum 1 weight .10000E+01 volume .23515E-02 ppm1 7.685 ppm2 .860 CV 1
ASSI { 883}
(( segid "A " and resid 44 and name HN ))
( segid "A " and resid 46 and name HD1%)
3.300 1.400 1.400 peak 883 spectrum 1 weight .10000E+01 volume .60106E-03 ppm1 7.685 ppm2 .732 CV 1
ASSI { 884}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 44 and name HB3 ))
2.500 2.500 3.500 peak 884 spectrum 1 weight .10000E+01 volume .32565E-02 ppm1 7.685 ppm2 1.812 CV 1
ASSI { 885}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 44 and name HB2 ))
2.700 .900 .900 peak 885 spectrum 1 weight .10000E+01 volume .19340E-02 ppm1 7.686 ppm2 1.520 CV 1
ASSI { 892}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 46 and name HN ))
3.300 1.400 1.400 peak 892 spectrum 1 weight .10000E+01 volume .61550E-03 ppm1 7.685 ppm2 7.897 CV 1
ASSI { 902}
(( segid "A " and resid 64 and name HN ))
(( segid "A " and resid 63 and name HB3 ))
3.000 1.100 1.100 peak 902 spectrum 1 weight .10000E+01 volume .11126E-02 ppm1 7.902 ppm2 1.790 CV 1
ASSI { 903}
(( segid "A " and resid 64 and name HN ))
(( segid "A " and resid 63 and name HB2 ))
3.300 1.300 1.300 peak 903 spectrum 1 weight .10000E+01 volume .62911E-03 ppm1 7.905 ppm2 1.707 CV 1
ASSI { 920}
(( segid "A " and resid 65 and name HN ))
(( segid "A " and resid 66 and name HA ))
3.700 1.700 1.700 peak 920 spectrum 1 weight .10000E+01 volume .28738E-03 ppm1 7.218 ppm2 4.551 CV 1
ASSI { 926}
(( segid "A " and resid 65 and name HN ))
(( segid "A " and resid 66 and name HB2 ))
3.700 1.700 1.700 peak 926 spectrum 1 weight .10000E+01 volume .32574E-03 ppm1 7.217 ppm2 2.010 CV 1
ASSI { 927}
(( segid "A " and resid 65 and name HN ))
(( segid "A " and resid 65 and name HB3 ))
2.700 .900 .900 peak 927 spectrum 1 weight .10000E+01 volume .18577E-02 ppm1 7.218 ppm2 1.766 CV 1
ASSI { 928}
(( segid "A " and resid 65 and name HN ))
(( segid "A " and resid 65 and name HB2 ))
2.600 .900 .900 peak 928 spectrum 1 weight .10000E+01 volume .23981E-02 ppm1 7.217 ppm2 1.639 CV 1
ASSI { 930}
(( segid "A " and resid 65 and name HN ))
(( segid "A " and resid 65 and name HG2 ))
2.900 2.900 3.100 peak 930 spectrum 1 weight .10000E+01 volume .12437E-02 ppm1 7.217 ppm2 1.397 CV 1
ASSI { 934}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 56 and name HA ))
3.700 1.700 1.700 peak 934 spectrum 1 weight .10000E+01 volume .28700E-03 ppm1 7.121 ppm2 4.370 CV 1
ASSI { 935}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 54 and name HA ))
3.500 1.600 1.600 peak 935 spectrum 1 weight .10000E+01 volume .39306E-03 ppm1 7.124 ppm2 4.195 CV 1
ASSI { 937}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 58 and name HA ))
2.900 1.100 1.100 peak 937 spectrum 1 weight .10000E+01 volume .12983E-02 ppm1 7.124 ppm2 3.533 CV 1
ASSI { 938}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 55 and name HA ))
3.500 1.500 1.500 peak 938 spectrum 1 weight .10000E+01 volume .46410E-03 ppm1 7.123 ppm2 3.348 CV 1
ASSI { 939}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 56 and name HB2 ))
3.300 3.300 2.700 peak 939 spectrum 1 weight .10000E+01 volume .65676E-03 ppm1 7.123 ppm2 3.262 CV 1
ASSI { 943}
(( segid "A " and resid 58 and name HN ))
( segid "A " and resid 27 and name HB% )
3.100 1.200 1.200 peak 943 spectrum 1 weight .10000E+01 volume .82507E-03 ppm1 7.123 ppm2 1.652 CV 1
ASSI { 944}
(( segid "A " and resid 58 and name HN ))
( segid "A " and resid 61 and name HB% )
3.600 1.600 1.600 peak 944 spectrum 1 weight .10000E+01 volume .34488E-03 ppm1 7.123 ppm2 1.544 CV 1
ASSI { 945}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 57 and name HG2 ))
3.300 1.400 1.400 peak 945 spectrum 1 weight .10000E+01 volume .58456E-03 ppm1 7.124 ppm2 1.198 CV 1
ASSI { 947}
(( segid "A " and resid 58 and name HN ))
( segid "A " and resid 58 and name HG2%)
2.900 1.100 1.100 peak 947 spectrum 1 weight .10000E+01 volume .12421E-02 ppm1 7.123 ppm2 .639 CV 1
ASSI { 952}
(( segid "A " and resid 87 and name HN ))
(( segid "A " and resid 86 and name HB ))
3.100 1.200 1.200 peak 952 spectrum 1 weight .10000E+01 volume .85106E-03 ppm1 7.863 ppm2 2.080 CV 1
ASSI { 954}
(( segid "A " and resid 87 and name HN ))
(( segid "A " and resid 87 and name HB3 ))
2.600 .800 .800 peak 954 spectrum 1 weight .10000E+01 volume .25445E-02 ppm1 7.861 ppm2 1.846 CV 1
ASSI { 955}
(( segid "A " and resid 87 and name HN ))
(( segid "A " and resid 85 and name HB ))
2.900 2.900 3.100 peak 955 spectrum 1 weight .10000E+01 volume .12524E-02 ppm1 7.860 ppm2 1.685 CV 1
ASSI { 956}
(( segid "A " and resid 87 and name HN ))
( segid "B " and resid 76 and name HB% )
3.700 3.700 2.300 peak 956 spectrum 1 weight .10000E+01 volume .29673E-03 ppm1 7.857 ppm2 1.102 CV 1
ASSI { 957}
(( segid "A " and resid 87 and name HN ))
( segid "A " and resid 86 and name HG1%)
3.300 1.400 1.400 peak 957 spectrum 1 weight .10000E+01 volume .60642E-03 ppm1 7.860 ppm2 1.013 CV 1
ASSI { 958}
(( segid "A " and resid 87 and name HN ))
( segid "B " and resid 74 and name HG1%)
3.000 3.000 3.000 peak 958 spectrum 1 weight .10000E+01 volume .10747E-02 ppm1 7.862 ppm2 .861 CV 1
ASSI { 962}
(( segid "A " and resid 56 and name HN ))
( segid "A " and resid 55 and name HG1%)
3.000 1.100 1.100 peak 962 spectrum 1 weight .10000E+01 volume .10384E-02 ppm1 8.659 ppm2 1.001 CV 1
ASSI { 963}
(( segid "A " and resid 56 and name HN ))
( segid "A " and resid 55 and name HG2%)
3.000 1.100 1.100 peak 963 spectrum 1 weight .10000E+01 volume .11365E-02 ppm1 8.659 ppm2 .910 CV 1
ASSI { 964}
(( segid "A " and resid 56 and name HN ))
( segid "A " and resid 54 and name HB% )
3.500 1.500 1.500 peak 964 spectrum 1 weight .10000E+01 volume .41790E-03 ppm1 8.661 ppm2 1.687 CV 1
ASSI { 967}
(( segid "A " and resid 56 and name HN ))
(( segid "A " and resid 53 and name HA ))
3.000 1.100 1.100 peak 967 spectrum 1 weight .10000E+01 volume .11361E-02 ppm1 8.659 ppm2 4.144 CV 1
ASSI { 984}
(( segid "A " and resid 33 and name HN ))
(( segid "A " and resid 4 and name HG2 ))
3.700 1.700 1.700 peak 984 spectrum 1 weight .10000E+01 volume .29039E-03 ppm1 7.618 ppm2 1.421 CV 1
ASSI { 986}
(( segid "A " and resid 33 and name HN ))
( segid "A " and resid 32 and name HG1%)
2.900 1.000 1.000 peak 986 spectrum 1 weight .10000E+01 volume .13242E-02 ppm1 7.617 ppm2 .835 CV 1
ASSI { 987}
(( segid "A " and resid 33 and name HN ))
( segid "A " and resid 32 and name HG2%)
3.000 1.200 1.200 peak 987 spectrum 1 weight .10000E+01 volume .10029E-02 ppm1 7.617 ppm2 .427 CV 1
ASSI { 996}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 43 and name HB2 ))
2.400 .700 .700 peak 996 spectrum 1 weight .10000E+01 volume .42573E-02 ppm1 8.157 ppm2 3.914 CV 1
ASSI { 999}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 42 and name HG1 ))
2.900 2.900 3.100 peak 999 spectrum 1 weight .10000E+01 volume .13119E-02 ppm1 8.157 ppm2 1.260 CV 1
ASSI { 1001}
(( segid "A " and resid 43 and name HN ))
( segid "A " and resid 44 and name HD1%)
3.500 1.600 1.600 peak 1001 spectrum 1 weight .10000E+01 volume .39732E-03 ppm1 8.159 ppm2 .862 CV 1
ASSI { 1014}
(( segid "A " and resid 31 and name HN ))
( segid "A " and resid 32 and name HG1%)
3.000 3.000 3.000 peak 1014 spectrum 1 weight .10000E+01 volume .11213E-02 ppm1 8.957 ppm2 .821 CV 1
ASSI { 1015}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 10 and name HB3 ))
3.200 1.300 1.300 peak 1015 spectrum 1 weight .10000E+01 volume .69883E-03 ppm1 8.424 ppm2 2.750 CV 1
ASSI { 1025}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 10 and name HB2 ))
3.000 1.100 1.100 peak 1025 spectrum 1 weight .10000E+01 volume .10660E-02 ppm1 8.424 ppm2 3.266 CV 1
ASSI { 1026}
(( segid "A " and resid 84 and name HN ))
(( segid "A " and resid 84 and name HB2 ))
2.700 .900 .900 peak 1026 spectrum 1 weight .10000E+01 volume .20227E-02 ppm1 7.855 ppm2 3.069 CV 1
ASSI { 1027}
(( segid "A " and resid 84 and name HN ))
(( segid "A " and resid 84 and name HB3 ))
2.700 .900 .900 peak 1027 spectrum 1 weight .10000E+01 volume .19249E-02 ppm1 7.856 ppm2 3.000 CV 1
ASSI { 1028}
(( segid "A " and resid 84 and name HN ))
( segid "A " and resid 86 and name HG2%)
3.500 1.500 1.500 peak 1028 spectrum 1 weight .10000E+01 volume .45420E-03 ppm1 7.853 ppm2 1.674 CV 1
ASSI { 1029}
(( segid "A " and resid 84 and name HN ))
( segid "A " and resid 83 and name HB% )
2.800 1.000 1.000 peak 1029 spectrum 1 weight .10000E+01 volume .15784E-02 ppm1 7.856 ppm2 1.225 CV 1
ASSI { 1030}
(( segid "A " and resid 84 and name HN ))
( segid "B " and resid 74 and name HG1%)
3.500 3.500 2.500 peak 1030 spectrum 1 weight .10000E+01 volume .45873E-03 ppm1 7.858 ppm2 .862 CV 1
ASSI { 1031}
(( segid "A " and resid 84 and name HN ))
(( segid "A " and resid 81 and name HA ))
3.400 1.500 1.500 peak 1031 spectrum 1 weight .10000E+01 volume .48679E-03 ppm1 7.855 ppm2 4.332 CV 1
ASSI { 1032}
(( segid "A " and resid 84 and name HN ))
(( segid "A " and resid 84 and name HA ))
2.800 1.000 1.000 peak 1032 spectrum 1 weight .10000E+01 volume .14979E-02 ppm1 7.856 ppm2 4.030 CV 1
ASSI { 1033}
(( segid "A " and resid 84 and name HN ))
(( segid "A " and resid 83 and name HA ))
3.200 1.300 1.300 peak 1033 spectrum 1 weight .10000E+01 volume .68687E-03 ppm1 7.855 ppm2 3.709 CV 1
ASSI { 1034}
(( segid "A " and resid 84 and name HN ))
(( segid "A " and resid 83 and name HN ))
3.000 1.100 1.100 peak 1034 spectrum 1 weight .10000E+01 volume .10804E-02 ppm1 7.855 ppm2 7.991 CV 1
ASSI { 1035}
(( segid "A " and resid 84 and name HN ))
(( segid "A " and resid 87 and name HN ))
2.400 2.400 3.600 peak 1035 spectrum 1 weight .10000E+01 volume .37042E-02 ppm1 7.855 ppm2 7.870 CV 1
ASSI { 1036}
(( segid "A " and resid 84 and name HN ))
( segid "A " and resid 84 and name HD% )
3.300 1.400 1.400 peak 1036 spectrum 1 weight .10000E+01 volume .55568E-03 ppm1 7.855 ppm2 7.052 CV 1
ASSI { 1037}
(( segid "A " and resid 84 and name HN ))
(( segid "A " and resid 85 and name HN ))
3.200 1.300 1.300 peak 1037 spectrum 1 weight .10000E+01 volume .73142E-03 ppm1 7.856 ppm2 6.813 CV 1
ASSI { 1057}
(( segid "A " and resid 99 and name HN ))
(( segid "A " and resid 98 and name HB3 ))
3.100 1.200 1.200 peak 1057 spectrum 1 weight .10000E+01 volume .92572E-03 ppm1 8.038 ppm2 2.100 CV 1
ASSI { 1070}
(( segid "A " and resid 52 and name HN ))
( segid "A " and resid 50 and name HB% )
3.500 1.500 1.500 peak 1070 spectrum 1 weight .10000E+01 volume .41295E-03 ppm1 8.329 ppm2 1.534 CV 1
ASSI { 1085}
(( segid "A " and resid 100 and name HN ))
(( segid "A " and resid 99 and name HN ))
2.900 1.000 1.000 peak 1085 spectrum 1 weight .10000E+01 volume .13345E-02 ppm1 8.231 ppm2 8.034 CV 1
ASSI { 1088}
(( segid "A " and resid 100 and name HN ))
(( segid "A " and resid 99 and name HB ))
3.000 1.100 1.100 peak 1088 spectrum 1 weight .10000E+01 volume .11778E-02 ppm1 8.231 ppm2 4.229 CV 1
ASSI { 1094}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 52 and name HB2 ))
4.000 2.000 2.000 peak 1094 spectrum 1 weight .10000E+01 volume .18961E-03 ppm1 8.738 ppm2 4.001 CV 1
ASSI { 1104}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 58 and name HA ))
4.400 2.400 1.600 peak 1104 spectrum 1 weight .10000E+01 volume .11200E-03 ppm1 8.248 ppm2 3.535 CV 1
ASSI { 1107}
(( segid "A " and resid 63 and name HN ))
(( segid "A " and resid 64 and name HN ))
3.000 1.100 1.100 peak 1107 spectrum 1 weight .10000E+01 volume .11126E-02 ppm1 8.233 ppm2 7.919 CV 1
ASSI { 1136}
(( segid "A " and resid 75 and name HN ))
(( segid "A " and resid 74 and name HN ))
3.600 1.600 1.600 peak 1136 spectrum 1 weight .10000E+01 volume .34359E-03 ppm1 8.287 ppm2 9.205 CV 1
ASSI { 1151}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 54 and name HA ))
2.600 .800 .800 peak 1151 spectrum 1 weight .10000E+01 volume .28139E-02 ppm1 7.495 ppm2 4.185 CV 1
ASSI { 1154}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 52 and name HB2 ))
3.600 3.600 2.400 peak 1154 spectrum 1 weight .10000E+01 volume .34257E-03 ppm1 7.504 ppm2 4.021 CV 1
ASSI { 1155}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 51 and name HA ))
3.200 1.300 1.300 peak 1155 spectrum 1 weight .10000E+01 volume .77928E-03 ppm1 7.493 ppm2 3.617 CV 1
ASSI { 1158}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 53 and name HG3 ))
3.900 1.900 1.900 peak 1158 spectrum 1 weight .10000E+01 volume .23085E-03 ppm1 7.495 ppm2 2.532 CV 1
ASSI { 1159}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 53 and name HG2 ))
3.800 1.800 1.800 peak 1159 spectrum 1 weight .10000E+01 volume .27203E-03 ppm1 7.494 ppm2 2.418 CV 1
ASSI { 1160}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 53 and name HB3 ))
2.700 .900 .900 peak 1160 spectrum 1 weight .10000E+01 volume .18659E-02 ppm1 7.495 ppm2 2.154 CV 1
ASSI { 1161}
(( segid "A " and resid 88 and name HN ))
(( segid "A " and resid 89 and name HB3 ))
2.700 2.700 3.300 peak 1161 spectrum 1 weight .10000E+01 volume .18330E-02 ppm1 7.538 ppm2 1.991 CV 1
ASSI { 1163}
(( segid "A " and resid 88 and name HN ))
(( segid "A " and resid 88 and name HB3 ))
2.700 .900 .900 peak 1163 spectrum 1 weight .10000E+01 volume .22136E-02 ppm1 7.539 ppm2 1.747 CV 1
ASSI { 1164}
(( segid "A " and resid 54 and name HN ))
( segid "A " and resid 54 and name HB% )
2.300 .700 .700 peak 1164 spectrum 1 weight .10000E+01 volume .50948E-02 ppm1 7.496 ppm2 1.688 CV 1
ASSI { 1171}
(( segid "A " and resid 54 and name HN ))
( segid "A " and resid 26 and name HG2%)
3.600 1.600 1.600 peak 1171 spectrum 1 weight .10000E+01 volume .37908E-03 ppm1 7.494 ppm2 .678 CV 1
ASSI { 1172}
(( segid "A " and resid 54 and name HN ))
( segid "A " and resid 58 and name HG2%)
3.500 3.500 2.500 peak 1172 spectrum 1 weight .10000E+01 volume .45956E-03 ppm1 7.497 ppm2 .638 CV 1
ASSI { 1182}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 19 and name HA ))
2.600 .900 .900 peak 1182 spectrum 1 weight .10000E+01 volume .23155E-02 ppm1 7.568 ppm2 4.605 CV 1
ASSI { 1194}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 23 and name HB ))
2.500 .800 .800 peak 1194 spectrum 1 weight .10000E+01 volume .32368E-02 ppm1 7.570 ppm2 4.282 CV 1
ASSI { 1196}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 21 and name HA ))
3.700 1.700 1.700 peak 1196 spectrum 1 weight .10000E+01 volume .29298E-03 ppm1 7.571 ppm2 3.960 CV 1
ASSI { 1197}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 23 and name HA ))
2.800 1.000 1.000 peak 1197 spectrum 1 weight .10000E+01 volume .14757E-02 ppm1 7.570 ppm2 3.795 CV 1
ASSI { 1203}
(( segid "A " and resid 94 and name HN ))
(( segid "A " and resid 94 and name HA ))
2.600 .800 .800 peak 1203 spectrum 1 weight .10000E+01 volume .27801E-02 ppm1 7.934 ppm2 4.176 CV 1
ASSI { 1205}
(( segid "A " and resid 29 and name HN ))
( segid "A " and resid 10 and name HE% )
3.700 1.800 1.800 peak 1205 spectrum 1 weight .10000E+01 volume .28291E-03 ppm1 7.856 ppm2 7.131 CV 1
ASSI { 1238}
(( segid "A " and resid 78 and name HN ))
(( segid "B " and resid 72 and name HN ))
3.500 1.600 1.600 peak 1238 spectrum 1 weight .10000E+01 volume .40462E-03 ppm1 8.770 ppm2 9.258 CV 1
ASSI { 1246}
(( segid "A " and resid 9 and name HN ))
( segid "A " and resid 62 and name HE% )
3.800 3.800 2.200 peak 1246 spectrum 1 weight .10000E+01 volume .26055E-03 ppm1 7.688 ppm2 7.101 CV 1
ASSI { 1247}
(( segid "A " and resid 10 and name HN ))
( segid "A " and resid 10 and name HD% )
3.100 1.200 1.200 peak 1247 spectrum 1 weight .10000E+01 volume .88983E-03 ppm1 8.810 ppm2 6.985 CV 1
ASSI { 1253}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 10 and name HB2 ))
2.500 .800 .800 peak 1253 spectrum 1 weight .10000E+01 volume .35284E-02 ppm1 8.806 ppm2 3.256 CV 1
ASSI { 1275}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 59 and name HE3 ))
3.900 1.900 1.900 peak 1275 spectrum 1 weight .10000E+01 volume .23816E-03 ppm1 8.723 ppm2 7.217 CV 1
ASSI { 1288}
(( segid "A " and resid 87 and name HN ))
(( segid "A " and resid 85 and name HN ))
4.400 2.400 1.600 peak 1288 spectrum 1 weight .10000E+01 volume .11312E-03 ppm1 7.851 ppm2 6.813 CV 1
ASSI { 1290}
(( segid "A " and resid 91 and name HN ))
(( segid "A " and resid 88 and name HN ))
4.000 2.000 2.000 peak 1290 spectrum 1 weight .10000E+01 volume .20131E-03 ppm1 7.849 ppm2 7.550 CV 1
ASSI { 1293}
(( segid "A " and resid 94 and name HN ))
(( segid "A " and resid 93 and name HN ))
2.700 .900 .900 peak 1293 spectrum 1 weight .10000E+01 volume .18535E-02 ppm1 7.937 ppm2 8.041 CV 1
ASSI { 1294}
(( segid "A " and resid 95 and name HN ))
(( segid "A " and resid 93 and name HN ))
3.100 1.200 1.200 peak 1294 spectrum 1 weight .10000E+01 volume .81105E-03 ppm1 7.790 ppm2 8.032 CV 1
ASSI { 1312}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 6 and name HB ))
3.500 1.500 1.500 peak 1312 spectrum 1 weight .10000E+01 volume .45668E-03 ppm1 8.626 ppm2 4.760 CV 1
ASSI { 1313}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 10 and name HA ))
3.100 1.200 1.200 peak 1313 spectrum 1 weight .10000E+01 volume .83456E-03 ppm1 8.422 ppm2 3.746 CV 1
ASSI { 1314}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 15 and name HA ))
2.700 .900 .900 peak 1314 spectrum 1 weight .10000E+01 volume .18775E-02 ppm1 7.163 ppm2 4.029 CV 1
ASSI { 1318}
(( segid "A " and resid 33 and name HN ))
(( segid "A " and resid 34 and name HA2 ))
3.400 1.500 1.500 peak 1318 spectrum 1 weight .10000E+01 volume .49422E-03 ppm1 7.617 ppm2 3.869 CV 1
ASSI { 1320}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 33 and name HB3 ))
4.000 2.000 2.000 peak 1320 spectrum 1 weight .10000E+01 volume .19163E-03 ppm1 8.087 ppm2 2.801 CV 1
ASSI { 1324}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 42 and name HB ))
2.600 .800 .800 peak 1324 spectrum 1 weight .10000E+01 volume .27455E-02 ppm1 8.157 ppm2 4.189 CV 1
ASSI { 1325}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 43 and name HA ))
2.500 .800 .800 peak 1325 spectrum 1 weight .10000E+01 volume .28601E-02 ppm1 8.160 ppm2 4.227 CV 1
ASSI { 1326}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 45 and name HA2 ))
2.300 2.300 3.700 peak 1326 spectrum 1 weight .10000E+01 volume .47689E-02 ppm1 7.880 ppm2 3.928 CV 1
ASSI { 1328}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 50 and name HA ))
3.900 1.900 1.900 peak 1328 spectrum 1 weight .10000E+01 volume .22529E-03 ppm1 7.967 ppm2 4.178 CV 1
ASSI { 1332}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 54 and name HA ))
2.900 2.900 3.100 peak 1332 spectrum 1 weight .10000E+01 volume .13515E-02 ppm1 8.804 ppm2 4.195 CV 1
ASSI { 1333}
(( segid "A " and resid 61 and name HN ))
(( segid "A " and resid 62 and name HB3 ))
3.900 1.900 1.900 peak 1333 spectrum 1 weight .10000E+01 volume .23090E-03 ppm1 7.044 ppm2 2.869 CV 1
ASSI { 1345}
(( segid "A " and resid 71 and name HN ))
(( segid "A " and resid 69 and name HB2 ))
3.500 3.500 2.500 peak 1345 spectrum 1 weight .10000E+01 volume .40763E-03 ppm1 7.975 ppm2 1.967 CV 1
ASSI { 1347}
(( segid "A " and resid 75 and name HN ))
(( segid "A " and resid 75 and name HB ))
2.800 1.000 1.000 peak 1347 spectrum 1 weight .10000E+01 volume .14640E-02 ppm1 8.289 ppm2 3.904 CV 1
ASSI { 1348}
(( segid "A " and resid 75 and name HN ))
(( segid "A " and resid 74 and name HA ))
2.300 .700 .700 peak 1348 spectrum 1 weight .10000E+01 volume .54496E-02 ppm1 8.288 ppm2 4.616 CV 1
ASSI { 1350}
(( segid "A " and resid 75 and name HN ))
(( segid "A " and resid 75 and name HA ))
3.200 1.300 1.300 peak 1350 spectrum 1 weight .10000E+01 volume .69966E-03 ppm1 8.288 ppm2 5.519 CV 1
ASSI { 1351}
(( segid "A " and resid 75 and name HN ))
(( segid "A " and resid 74 and name HB ))
2.900 1.100 1.100 peak 1351 spectrum 1 weight .10000E+01 volume .12957E-02 ppm1 8.287 ppm2 1.929 CV 1
ASSI { 1352}
(( segid "A " and resid 75 and name HN ))
(( segid "A " and resid 75 and name HG1 ))
2.900 1.000 1.000 peak 1352 spectrum 1 weight .10000E+01 volume .14555E-02 ppm1 8.288 ppm2 1.113 CV 1
ASSI { 1378}
(( segid "A " and resid 11 and name HN ))
( segid "A " and resid 13 and name HB% )
4.200 2.200 1.800 peak 1378 spectrum 1 weight .10000E+01 volume .14439E-03 ppm1 8.428 ppm2 1.363 CV 1
ASSI { 1379}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 58 and name HA ))
3.500 1.500 1.500 peak 1379 spectrum 1 weight .10000E+01 volume .41121E-03 ppm1 8.806 ppm2 3.533 CV 1
ASSI { 1381}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 59 and name HB3 ))
3.500 1.600 1.600 peak 1381 spectrum 1 weight .10000E+01 volume .40502E-03 ppm1 8.811 ppm2 2.178 CV 1
ASSI { 1382}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 58 and name HB ))
2.900 1.100 1.100 peak 1382 spectrum 1 weight .10000E+01 volume .12100E-02 ppm1 8.804 ppm2 1.931 CV 1
ASSI { 1383}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 56 and name HA ))
3.200 1.300 1.300 peak 1383 spectrum 1 weight .10000E+01 volume .75906E-03 ppm1 8.803 ppm2 4.372 CV 1
ASSI { 1385}
(( segid "A " and resid 59 and name HN ))
( segid "A " and resid 58 and name HG1%)
3.200 1.300 1.300 peak 1385 spectrum 1 weight .10000E+01 volume .73802E-03 ppm1 8.804 ppm2 .771 CV 1
ASSI { 1387}
(( segid "A " and resid 10 and name HN ))
( segid "A " and resid 32 and name HG2%)
3.200 1.300 1.300 peak 1387 spectrum 1 weight .10000E+01 volume .68811E-03 ppm1 8.811 ppm2 .427 CV 1
ASSI { 1390}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 14 and name HG12))
3.900 1.900 1.900 peak 1390 spectrum 1 weight .10000E+01 volume .23188E-03 ppm1 8.424 ppm2 1.198 CV 1
ASSI { 1391}
(( segid "A " and resid 11 and name HN ))
( segid "A " and resid 32 and name HG2%)
3.700 1.800 1.800 peak 1391 spectrum 1 weight .10000E+01 volume .28535E-03 ppm1 8.425 ppm2 .425 CV 1
ASSI { 1393}
(( segid "A " and resid 59 and name HN ))
( segid "A " and resid 27 and name HB% )
3.200 1.300 1.300 peak 1393 spectrum 1 weight .10000E+01 volume .73761E-03 ppm1 8.809 ppm2 1.661 CV 1
ASSI { 1396}
(( segid "A " and resid 84 and name HN ))
( segid "A " and resid 85 and name HG2%)
4.200 2.200 1.800 peak 1396 spectrum 1 weight .10000E+01 volume .13894E-03 ppm1 7.849 ppm2 -.095 CV 1
ASSI { 1400}
(( segid "A " and resid 90 and name HN ))
(( segid "A " and resid 90 and name HB3 ))
2.900 1.100 1.100 peak 1400 spectrum 1 weight .10000E+01 volume .12091E-02 ppm1 8.890 ppm2 2.086 CV 1
ASSI { 1403}
(( segid "A " and resid 89 and name HN ))
(( segid "A " and resid 88 and name HB3 ))
3.000 1.100 1.100 peak 1403 spectrum 1 weight .10000E+01 volume .11600E-02 ppm1 8.888 ppm2 1.752 CV 1
ASSI { 1409}
(( segid "A " and resid 89 and name HN ))
( segid "A " and resid 85 and name HG2%)
3.900 1.900 1.900 peak 1409 spectrum 1 weight .10000E+01 volume .22388E-03 ppm1 8.890 ppm2 -.091 CV 1
ASSI { 1430}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 63 and name HB3 ))
3.300 3.300 2.700 peak 1430 spectrum 1 weight .10000E+01 volume .66006E-03 ppm1 9.980 ppm2 1.792 CV 1
ASSI { 1441}
(( segid "A " and resid 100 and name HN ))
(( segid "A " and resid 99 and name HG1 ))
3.200 3.200 2.800 peak 1441 spectrum 1 weight .10000E+01 volume .78257E-03 ppm1 8.231 ppm2 1.242 CV 1
ASSI { 1459}
(( segid "A " and resid 66 and name HD22))
(( segid "A " and resid 66 and name HN ))
3.700 1.700 1.700 peak 1459 spectrum 1 weight .10000E+01 volume .32210E-03 ppm1 6.516 ppm2 7.494 CV 1
ASSI { 1482}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 22 and name HA ))
3.600 1.600 1.600 peak 1482 spectrum 1 weight .10000E+01 volume .35169E-03 ppm1 8.114 ppm2 4.170 CV 1
ASSI { 1489}
(( segid "A " and resid 94 and name HN ))
(( segid "A " and resid 94 and name HB2 ))
2.300 .700 .700 peak 1489 spectrum 1 weight .10000E+01 volume .49339E-02 ppm1 7.934 ppm2 1.967 CV 1
ASSI { 1490}
(( segid "A " and resid 94 and name HN ))
( segid "A " and resid 93 and name HB% )
2.400 .700 .700 peak 1490 spectrum 1 weight .10000E+01 volume .41707E-02 ppm1 7.938 ppm2 1.776 CV 1
ASSI { 1495}
(( segid "A " and resid 94 and name HN ))
(( segid "A " and resid 92 and name HB2 ))
3.900 1.900 1.900 peak 1495 spectrum 1 weight .10000E+01 volume .24038E-03 ppm1 7.937 ppm2 2.749 CV 1
ASSI { 1497}
(( segid "A " and resid 30 and name HN ))
(( segid "A " and resid 27 and name HA ))
2.900 1.000 1.000 peak 1497 spectrum 1 weight .10000E+01 volume .13407E-02 ppm1 7.943 ppm2 3.851 CV 1
ASSI { 1530}
(( segid "A " and resid 66 and name HD21))
(( segid "A " and resid 66 and name HB3 ))
3.100 1.200 1.200 peak 1530 spectrum 1 weight .10000E+01 volume .84445E-03 ppm1 7.090 ppm2 2.426 CV 1
ASSI { 1539}
(( segid "A " and resid 66 and name HD21))
(( segid "A " and resid 66 and name HA ))
3.700 1.700 1.700 peak 1539 spectrum 1 weight .10000E+01 volume .30890E-03 ppm1 7.091 ppm2 4.545 CV 1
ASSI { 1541}
(( segid "A " and resid 66 and name HD22))
(( segid "A " and resid 66 and name HA ))
3.800 1.800 1.800 peak 1541 spectrum 1 weight .10000E+01 volume .26926E-03 ppm1 6.516 ppm2 4.544 CV 1
ASSI { 1573}
(( segid "A " and resid 4 and name HE ))
(( segid "A " and resid 4 and name HD2 ))
4.100 2.100 1.900 peak 1573 spectrum 1 weight .10000E+01 volume .16555E-03 ppm1 6.643 ppm2 3.207 CV 1
ASSI { 1575}
(( segid "A " and resid 4 and name HE ))
(( segid "A " and resid 4 and name HG3 ))
4.300 2.300 1.700 peak 1575 spectrum 1 weight .10000E+01 volume .13221E-03 ppm1 6.641 ppm2 1.643 CV 1
OR { 1575}
(( segid "A " and resid 4 and name HE ))
(( segid "A " and resid 4 and name HB2 ))
ASSI { 1583}
(( segid "A " and resid 81 and name HN ))
(( segid "A " and resid 80 and name HB3 ))
3.900 1.900 1.900 peak 1583 spectrum 1 weight .10000E+01 volume .21997E-03 ppm1 8.511 ppm2 1.871 CV 1
ASSI { 1591}
(( segid "A " and resid 16 and name HN ))
( segid "A " and resid 17 and name HD2%)
4.700 2.700 1.300 peak 1591 spectrum 1 weight .10000E+01 volume .76690E-04 ppm1 8.913 ppm2 .809 CV 1
ASSI { 1592}
(( segid "A " and resid 16 and name HN ))
( segid "A " and resid 17 and name HD1%)
4.400 2.500 1.600 peak 1592 spectrum 1 weight .10000E+01 volume .10367E-03 ppm1 8.913 ppm2 .739 CV 1
ASSI { 1610}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 31 and name HA ))
3.300 1.300 1.300 peak 1610 spectrum 1 weight .10000E+01 volume .62582E-03 ppm1 8.083 ppm2 4.263 CV 1
ASSI { 1612}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 4 and name HD2 ))
4.000 2.000 2.000 peak 1612 spectrum 1 weight .10000E+01 volume .17813E-03 ppm1 8.086 ppm2 3.200 CV 1
ASSI { 1617}
(( segid "A " and resid 5 and name HN ))
( segid "A " and resid 32 and name HG1%)
3.100 1.200 1.200 peak 1617 spectrum 1 weight .10000E+01 volume .83497E-03 ppm1 8.081 ppm2 .826 CV 1
ASSI { 1620}
(( segid "A " and resid 96 and name HN ))
(( segid "A " and resid 95 and name HE2 ))
4.000 2.000 2.000 peak 1620 spectrum 1 weight .10000E+01 volume .20404E-03 ppm1 7.919 ppm2 3.014 CV 1
ASSI { 1630}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 62 and name HN ))
4.300 2.300 1.700 peak 1630 spectrum 1 weight .10000E+01 volume .12385E-03 ppm1 8.714 ppm2 7.814 CV 1
ASSI { 1631}
(( segid "A " and resid 81 and name HN ))
(( segid "A " and resid 82 and name HN ))
4.000 2.000 2.000 peak 1631 spectrum 1 weight .10000E+01 volume .17756E-03 ppm1 8.498 ppm2 6.533 CV 1
ASSI { 1632}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 58 and name HA ))
3.900 1.900 1.900 peak 1632 spectrum 1 weight .10000E+01 volume .23445E-03 ppm1 8.725 ppm2 3.531 CV 1
ASSI { 39}
(( segid "B " and resid 50 and name HN ))
(( segid "B " and resid 50 and name HA ))
2.600 .900 .900 peak 39 spectrum 1 weight .10000E+01 volume .22986E-02 ppm1 7.949 ppm2 4.176 CV 1
ASSI { 43}
(( segid "B " and resid 50 and name HN ))
(( segid "B " and resid 47 and name HG1 ))
3.300 1.400 1.400 peak 43 spectrum 1 weight .10000E+01 volume .58209E-03 ppm1 7.949 ppm2 1.374 CV 1
ASSI { 48}
(( segid "B " and resid 74 and name HN ))
( segid "B " and resid 93 and name HB% )
3.700 3.700 2.300 peak 48 spectrum 1 weight .10000E+01 volume .30172E-03 ppm1 9.185 ppm2 1.798 CV 1
ASSI { 56}
(( segid "B " and resid 78 and name HN ))
(( segid "B " and resid 77 and name HB ))
3.700 1.700 1.700 peak 56 spectrum 1 weight .10000E+01 volume .32054E-03 ppm1 8.769 ppm2 2.044 CV 1
ASSI { 59}
(( segid "B " and resid 78 and name HN ))
( segid "B " and resid 76 and name HB% )
3.200 3.200 2.800 peak 59 spectrum 1 weight .10000E+01 volume .69925E-03 ppm1 8.766 ppm2 1.107 CV 1
ASSI { 85}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 13 and name HA ))
3.500 1.500 1.500 peak 85 spectrum 1 weight .10000E+01 volume .41625E-03 ppm1 7.159 ppm2 3.856 CV 1
ASSI { 95}
(( segid "B " and resid 37 and name HN ))
(( segid "B " and resid 37 and name HB2 ))
2.800 1.000 1.000 peak 95 spectrum 1 weight .10000E+01 volume .15709E-02 ppm1 8.306 ppm2 1.945 CV 1
ASSI { 104}
(( segid "B " and resid 67 and name HN ))
(( segid "B " and resid 68 and name HG3 ))
2.700 2.700 3.300 peak 104 spectrum 1 weight .10000E+01 volume .21906E-02 ppm1 7.719 ppm2 1.590 CV 1
ASSI { 118}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 13 and name HA ))
3.200 1.300 1.300 peak 118 spectrum 1 weight .10000E+01 volume .75783E-03 ppm1 7.296 ppm2 3.855 CV 1
ASSI { 130}
(( segid "B " and resid 34 and name HN ))
( segid "B " and resid 32 and name HG1%)
3.700 1.700 1.700 peak 130 spectrum 1 weight .10000E+01 volume .29294E-03 ppm1 6.871 ppm2 .828 CV 1
ASSI { 131}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 4 and name HG2 ))
3.200 1.300 1.300 peak 131 spectrum 1 weight .10000E+01 volume .75576E-03 ppm1 6.872 ppm2 1.418 CV 1
ASSI { 148}
(( segid "B " and resid 29 and name HN ))
( segid "B " and resid 30 and name HG1%)
3.500 1.600 1.600 peak 148 spectrum 1 weight .10000E+01 volume .39669E-03 ppm1 7.856 ppm2 .913 CV 1
ASSI { 149}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 28 and name HG2 ))
3.700 1.700 1.700 peak 149 spectrum 1 weight .10000E+01 volume .29571E-03 ppm1 7.862 ppm2 .593 CV 1
ASSI { 155}
(( segid "B " and resid 47 and name HN ))
( segid "B " and resid 50 and name HB% )
2.500 .800 .800 peak 155 spectrum 1 weight .10000E+01 volume .30635E-02 ppm1 7.966 ppm2 1.534 CV 1
ASSI { 157}
(( segid "B " and resid 47 and name HN ))
( segid "B " and resid 51 and name HG2%)
3.600 1.600 1.600 peak 157 spectrum 1 weight .10000E+01 volume .38419E-03 ppm1 7.965 ppm2 .990 CV 1
ASSI { 158}
(( segid "B " and resid 47 and name HN ))
( segid "B " and resid 46 and name HD2%)
2.700 2.700 3.300 peak 158 spectrum 1 weight .10000E+01 volume .18126E-02 ppm1 7.966 ppm2 .834 CV 1
ASSI { 159}
(( segid "B " and resid 47 and name HN ))
( segid "B " and resid 46 and name HD1%)
3.200 1.300 1.300 peak 159 spectrum 1 weight .10000E+01 volume .76195E-03 ppm1 7.967 ppm2 .731 CV 1
ASSI { 171}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 23 and name HG1 ))
3.600 1.600 1.600 peak 171 spectrum 1 weight .10000E+01 volume .39096E-03 ppm1 8.498 ppm2 1.184 CV 1
ASSI { 178}
(( segid "B " and resid 45 and name HN ))
(( segid "B " and resid 43 and name HA ))
3.600 1.600 1.600 peak 178 spectrum 1 weight .10000E+01 volume .36167E-03 ppm1 7.612 ppm2 4.215 CV 1
ASSI { 202}
(( segid "B " and resid 39 and name HN ))
(( segid "B " and resid 39 and name HG1 ))
2.700 .900 .900 peak 202 spectrum 1 weight .10000E+01 volume .19427E-02 ppm1 7.324 ppm2 .995 CV 1
ASSI { 236}
(( segid "B " and resid 6 and name HN ))
(( segid "B " and resid 6 and name HA ))
3.100 1.200 1.200 peak 236 spectrum 1 weight .10000E+01 volume .87045E-03 ppm1 8.629 ppm2 4.492 CV 1
ASSI { 265}
(( segid "B " and resid 42 and name HN ))
(( segid "B " and resid 42 and name HG1 ))
2.700 .900 .900 peak 265 spectrum 1 weight .10000E+01 volume .22512E-02 ppm1 7.812 ppm2 1.261 CV 1
ASSI { 285}
(( segid "B " and resid 97 and name HE21))
(( segid "B " and resid 97 and name HG3 ))
3.100 1.200 1.200 peak 285 spectrum 1 weight .10000E+01 volume .91171E-03 ppm1 7.068 ppm2 2.377 CV 1
ASSI { 286}
(( segid "B " and resid 97 and name HE22))
(( segid "B " and resid 97 and name HG3 ))
3.300 1.400 1.400 peak 286 spectrum 1 weight .10000E+01 volume .61591E-03 ppm1 6.634 ppm2 2.377 CV 1
ASSI { 289}
(( segid "B " and resid 97 and name HE22))
(( segid "B " and resid 94 and name HG2 ))
3.700 3.700 2.300 peak 289 spectrum 1 weight .10000E+01 volume .30593E-03 ppm1 6.635 ppm2 1.757 CV 1
ASSI { 302}
(( segid "B " and resid 53 and name HE22))
(( segid "B " and resid 53 and name HG3 ))
3.000 1.100 1.100 peak 302 spectrum 1 weight .10000E+01 volume .11196E-02 ppm1 7.441 ppm2 2.536 CV 1
ASSI { 303}
(( segid "B " and resid 53 and name HE21))
(( segid "B " and resid 53 and name HG3 ))
3.300 1.400 1.400 peak 303 spectrum 1 weight .10000E+01 volume .61303E-03 ppm1 6.843 ppm2 2.537 CV 1
ASSI { 304}
(( segid "B " and resid 53 and name HE22))
(( segid "B " and resid 53 and name HG2 ))
3.300 1.400 1.400 peak 304 spectrum 1 weight .10000E+01 volume .59900E-03 ppm1 7.441 ppm2 2.421 CV 1
ASSI { 305}
(( segid "B " and resid 53 and name HE21))
(( segid "B " and resid 53 and name HG2 ))
3.500 1.500 1.500 peak 305 spectrum 1 weight .10000E+01 volume .41625E-03 ppm1 6.844 ppm2 2.419 CV 1
ASSI { 342}
(( segid "B " and resid 70 and name HN ))
(( segid "B " and resid 70 and name HA2 ))
2.700 .900 .900 peak 342 spectrum 1 weight .10000E+01 volume .20301E-02 ppm1 8.954 ppm2 3.776 CV 1
ASSI { 343}
(( segid "B " and resid 70 and name HN ))
(( segid "B " and resid 69 and name HG3 ))
3.100 1.200 1.200 peak 343 spectrum 1 weight .10000E+01 volume .85148E-03 ppm1 8.955 ppm2 2.321 CV 1
ASSI { 378}
(( segid "B " and resid 15 and name HE21))
(( segid "B " and resid 15 and name HG2 ))
2.700 .900 .900 peak 378 spectrum 1 weight .10000E+01 volume .20482E-02 ppm1 7.533 ppm2 2.482 CV 1
ASSI { 379}
(( segid "B " and resid 15 and name HE22))
(( segid "B " and resid 15 and name HG2 ))
2.800 2.800 3.200 peak 379 spectrum 1 weight .10000E+01 volume .18086E-02 ppm1 6.854 ppm2 2.479 CV 1
ASSI { 400}
(( segid "B " and resid 8 and name HN ))
(( segid "B " and resid 6 and name HA ))
3.300 1.300 1.300 peak 400 spectrum 1 weight .10000E+01 volume .63695E-03 ppm1 8.416 ppm2 4.491 CV 1
ASSI { 404}
(( segid "B " and resid 8 and name HN ))
(( segid "B " and resid 7 and name HG2 ))
3.400 1.500 1.500 peak 404 spectrum 1 weight .10000E+01 volume .50041E-03 ppm1 8.416 ppm2 2.367 CV 1
ASSI { 408}
(( segid "B " and resid 8 and name HN ))
(( segid "B " and resid 6 and name HG1 ))
3.200 1.300 1.300 peak 408 spectrum 1 weight .10000E+01 volume .68027E-03 ppm1 8.416 ppm2 1.291 CV 1
ASSI { 422}
(( segid "B " and resid 83 and name HN ))
( segid "B " and resid 86 and name HG1%)
3.600 3.600 2.400 peak 422 spectrum 1 weight .10000E+01 volume .37190E-03 ppm1 7.978 ppm2 1.016 CV 1
ASSI { 439}
(( segid "B " and resid 91 and name HN ))
(( segid "B " and resid 92 and name HB2 ))
3.300 1.400 1.400 peak 439 spectrum 1 weight .10000E+01 volume .59941E-03 ppm1 7.857 ppm2 2.757 CV 1
ASSI { 442}
(( segid "B " and resid 91 and name HN ))
(( segid "B " and resid 90 and name HB3 ))
3.200 1.200 1.200 peak 442 spectrum 1 weight .10000E+01 volume .78629E-03 ppm1 7.857 ppm2 2.088 CV 1
ASSI { 443}
(( segid "B " and resid 91 and name HN ))
( segid "B " and resid 91 and name HB% )
2.400 .700 .700 peak 443 spectrum 1 weight .10000E+01 volume .45791E-02 ppm1 7.858 ppm2 1.634 CV 1
ASSI { 444}
(( segid "B " and resid 91 and name HN ))
( segid "A " and resid 76 and name HB% )
3.500 3.500 2.500 peak 444 spectrum 1 weight .10000E+01 volume .43192E-03 ppm1 7.857 ppm2 1.098 CV 1
ASSI { 448}
(( segid "B " and resid 9 and name HN ))
(( segid "B " and resid 6 and name HG1 ))
3.300 1.300 1.300 peak 448 spectrum 1 weight .10000E+01 volume .62499E-03 ppm1 7.684 ppm2 1.291 CV 1
ASSI { 476}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 29 and name HA2 ))
3.300 3.300 2.700 peak 476 spectrum 1 weight .10000E+01 volume .58868E-03 ppm1 8.564 ppm2 3.989 CV 1
ASSI { 482}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 4 and name HG2 ))
2.400 2.400 3.600 peak 482 spectrum 1 weight .10000E+01 volume .39467E-02 ppm1 8.565 ppm2 1.419 CV 1
ASSI { 497}
(( segid "B " and resid 69 and name HN ))
(( segid "B " and resid 69 and name HA ))
2.700 .900 .900 peak 497 spectrum 1 weight .10000E+01 volume .19785E-02 ppm1 8.427 ppm2 4.111 CV 1
ASSI { 498}
(( segid "B " and resid 69 and name HN ))
(( segid "B " and resid 69 and name HG3 ))
3.000 3.000 3.000 peak 498 spectrum 1 weight .10000E+01 volume .10371E-02 ppm1 8.427 ppm2 2.329 CV 1
ASSI { 499}
(( segid "B " and resid 69 and name HN ))
(( segid "B " and resid 68 and name HB3 ))
2.800 2.800 3.200 peak 499 spectrum 1 weight .10000E+01 volume .15718E-02 ppm1 8.427 ppm2 2.107 CV 1
ASSI { 500}
(( segid "B " and resid 69 and name HN ))
(( segid "B " and resid 69 and name HB3 ))
2.500 .800 .800 peak 500 spectrum 1 weight .10000E+01 volume .34418E-02 ppm1 8.427 ppm2 2.033 CV 1
ASSI { 501}
(( segid "B " and resid 69 and name HN ))
(( segid "B " and resid 69 and name HB2 ))
2.500 .800 .800 peak 501 spectrum 1 weight .10000E+01 volume .32433E-02 ppm1 8.427 ppm2 1.983 CV 1
ASSI { 503}
(( segid "B " and resid 69 and name HN ))
(( segid "B " and resid 68 and name HG2 ))
3.000 3.000 3.000 peak 503 spectrum 1 weight .10000E+01 volume .11196E-02 ppm1 8.428 ppm2 1.425 CV 1
ASSI { 508}
(( segid "B " and resid 93 and name HN ))
(( segid "B " and resid 91 and name HA ))
3.300 1.300 1.300 peak 508 spectrum 1 weight .10000E+01 volume .63902E-03 ppm1 8.021 ppm2 4.210 CV 1
ASSI { 509}
(( segid "B " and resid 71 and name HN ))
(( segid "B " and resid 69 and name HA ))
3.100 1.200 1.200 peak 509 spectrum 1 weight .10000E+01 volume .84363E-03 ppm1 8.020 ppm2 4.125 CV 1
ASSI { 510}
(( segid "B " and resid 93 and name HN ))
(( segid "B " and resid 89 and name HA ))
3.600 1.600 1.600 peak 510 spectrum 1 weight .10000E+01 volume .37644E-03 ppm1 8.027 ppm2 4.756 CV 1
ASSI { 511}
(( segid "B " and resid 93 and name HN ))
(( segid "B " and resid 92 and name HB3 ))
2.900 1.100 1.100 peak 511 spectrum 1 weight .10000E+01 volume .12917E-02 ppm1 8.025 ppm2 2.956 CV 1
ASSI { 512}
(( segid "B " and resid 93 and name HN ))
(( segid "B " and resid 92 and name HB2 ))
2.900 1.100 1.100 peak 512 spectrum 1 weight .10000E+01 volume .12891E-02 ppm1 8.025 ppm2 2.758 CV 1
ASSI { 513}
(( segid "B " and resid 93 and name HN ))
(( segid "B " and resid 94 and name HB2 ))
3.200 3.200 2.800 peak 513 spectrum 1 weight .10000E+01 volume .78464E-03 ppm1 8.024 ppm2 1.963 CV 1
ASSI { 514}
(( segid "B " and resid 93 and name HN ))
( segid "B " and resid 93 and name HB% )
2.400 .700 .700 peak 514 spectrum 1 weight .10000E+01 volume .43564E-02 ppm1 8.025 ppm2 1.768 CV 1
ASSI { 527}
(( segid "B " and resid 4 and name HN ))
(( segid "B " and resid 59 and name HH2 ))
3.100 1.200 1.200 peak 527 spectrum 1 weight .10000E+01 volume .84694E-03 ppm1 7.823 ppm2 7.303 CV 1
ASSI { 535}
(( segid "B " and resid 7 and name HN ))
(( segid "B " and resid 6 and name HA ))
2.500 .800 .800 peak 535 spectrum 1 weight .10000E+01 volume .32438E-02 ppm1 9.154 ppm2 4.491 CV 1
ASSI { 542}
(( segid "B " and resid 7 and name HN ))
( segid "B " and resid 32 and name HG1%)
3.000 1.100 1.100 peak 542 spectrum 1 weight .10000E+01 volume .10441E-02 ppm1 9.155 ppm2 .836 CV 1
ASSI { 547}
(( segid "B " and resid 13 and name HN ))
( segid "B " and resid 61 and name HB% )
3.500 3.500 2.500 peak 547 spectrum 1 weight .10000E+01 volume .42573E-03 ppm1 8.091 ppm2 1.548 CV 1
ASSI { 565}
(( segid "B " and resid 41 and name HN ))
(( segid "B " and resid 42 and name HB ))
3.700 1.700 1.700 peak 565 spectrum 1 weight .10000E+01 volume .31666E-03 ppm1 7.618 ppm2 4.173 CV 1
ASSI { 567}
(( segid "B " and resid 41 and name HN ))
( segid "B " and resid 51 and name HG1%)
3.200 1.300 1.300 peak 567 spectrum 1 weight .10000E+01 volume .68769E-03 ppm1 7.618 ppm2 1.056 CV 1
ASSI { 568}
(( segid "B " and resid 41 and name HN ))
( segid "B " and resid 51 and name HG2%)
2.800 1.000 1.000 peak 568 spectrum 1 weight .10000E+01 volume .16374E-02 ppm1 7.619 ppm2 .991 CV 1
ASSI { 598}
(( segid "B " and resid 40 and name HN ))
( segid "B " and resid 51 and name HG1%)
3.300 1.400 1.400 peak 598 spectrum 1 weight .10000E+01 volume .56806E-03 ppm1 7.387 ppm2 1.056 CV 1
ASSI { 599}
(( segid "B " and resid 40 and name HN ))
(( segid "B " and resid 39 and name HG1 ))
2.900 1.000 1.000 peak 599 spectrum 1 weight .10000E+01 volume .13733E-02 ppm1 7.385 ppm2 .994 CV 1
ASSI { 602}
(( segid "B " and resid 98 and name HN ))
(( segid "B " and resid 98 and name HG3 ))
2.900 2.900 3.100 peak 602 spectrum 1 weight .10000E+01 volume .14377E-02 ppm1 8.138 ppm2 2.287 CV 1
ASSI { 603}
(( segid "B " and resid 98 and name HN ))
(( segid "B " and resid 98 and name HB2 ))
2.300 .700 .700 peak 603 spectrum 1 weight .10000E+01 volume .48679E-02 ppm1 8.138 ppm2 2.052 CV 1
ASSI { 608}
(( segid "B " and resid 98 and name HN ))
(( segid "B " and resid 99 and name HN ))
2.600 2.600 3.400 peak 608 spectrum 1 weight .10000E+01 volume .25082E-02 ppm1 8.137 ppm2 8.029 CV 1
ASSI { 610}
(( segid "B " and resid 48 and name HN ))
(( segid "B " and resid 47 and name HB ))
2.700 .900 .900 peak 610 spectrum 1 weight .10000E+01 volume .19125E-02 ppm1 9.002 ppm2 4.694 CV 1
ASSI { 611}
(( segid "B " and resid 48 and name HN ))
(( segid "B " and resid 47 and name HA ))
2.600 .800 .800 peak 611 spectrum 1 weight .10000E+01 volume .26472E-02 ppm1 9.002 ppm2 4.403 CV 1
ASSI { 612}
(( segid "B " and resid 48 and name HN ))
(( segid "B " and resid 48 and name HA ))
2.900 1.100 1.100 peak 612 spectrum 1 weight .10000E+01 volume .12578E-02 ppm1 9.002 ppm2 3.888 CV 1
ASSI { 613}
(( segid "B " and resid 48 and name HN ))
(( segid "B " and resid 48 and name HB3 ))
2.700 .900 .900 peak 613 spectrum 1 weight .10000E+01 volume .21060E-02 ppm1 9.002 ppm2 1.877 CV 1
ASSI { 615}
(( segid "B " and resid 48 and name HN ))
(( segid "B " and resid 48 and name HG2 ))
3.200 1.300 1.300 peak 615 spectrum 1 weight .10000E+01 volume .66872E-03 ppm1 9.001 ppm2 1.628 CV 1
ASSI { 616}
(( segid "B " and resid 48 and name HN ))
( segid "B " and resid 41 and name HB% )
3.400 1.500 1.500 peak 616 spectrum 1 weight .10000E+01 volume .48638E-03 ppm1 9.003 ppm2 1.436 CV 1
ASSI { 617}
(( segid "B " and resid 48 and name HN ))
(( segid "B " and resid 47 and name HG1 ))
3.000 3.000 3.000 peak 617 spectrum 1 weight .10000E+01 volume .98760E-03 ppm1 9.002 ppm2 1.373 CV 1
ASSI { 622}
(( segid "B " and resid 46 and name HN ))
(( segid "B " and resid 46 and name HA ))
2.900 1.100 1.100 peak 622 spectrum 1 weight .10000E+01 volume .12001E-02 ppm1 7.923 ppm2 4.777 CV 1
ASSI { 623}
(( segid "B " and resid 96 and name HN ))
(( segid "B " and resid 92 and name HA ))
3.700 1.700 1.700 peak 623 spectrum 1 weight .10000E+01 volume .30379E-03 ppm1 7.924 ppm2 4.480 CV 1
ASSI { 624}
(( segid "B " and resid 96 and name HN ))
(( segid "B " and resid 93 and name HA ))
3.000 1.200 1.200 peak 624 spectrum 1 weight .10000E+01 volume .99049E-03 ppm1 7.923 ppm2 4.350 CV 1
ASSI { 644}
(( segid "B " and resid 92 and name HN ))
(( segid "B " and resid 92 and name HB2 ))
2.700 .900 .900 peak 644 spectrum 1 weight .10000E+01 volume .18869E-02 ppm1 8.809 ppm2 2.757 CV 1
ASSI { 647}
(( segid "B " and resid 92 and name HN ))
( segid "B " and resid 91 and name HB% )
2.600 .800 .800 peak 647 spectrum 1 weight .10000E+01 volume .27062E-02 ppm1 8.810 ppm2 1.635 CV 1
ASSI { 648}
(( segid "B " and resid 92 and name HN ))
(( segid "B " and resid 92 and name HB3 ))
2.700 .900 .900 peak 648 spectrum 1 weight .10000E+01 volume .19611E-02 ppm1 8.809 ppm2 2.955 CV 1
ASSI { 656}
(( segid "B " and resid 28 and name HN ))
( segid "B " and resid 27 and name HB% )
2.800 1.000 1.000 peak 656 spectrum 1 weight .10000E+01 volume .17293E-02 ppm1 9.096 ppm2 1.645 CV 1
ASSI { 657}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 28 and name HB3 ))
2.600 .900 .900 peak 657 spectrum 1 weight .10000E+01 volume .24203E-02 ppm1 9.096 ppm2 1.526 CV 1
ASSI { 658}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 26 and name HG13))
3.300 3.300 2.700 peak 658 spectrum 1 weight .10000E+01 volume .59900E-03 ppm1 9.098 ppm2 1.186 CV 1
ASSI { 660}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 28 and name HG2 ))
3.500 1.500 1.500 peak 660 spectrum 1 weight .10000E+01 volume .43481E-03 ppm1 9.098 ppm2 .600 CV 1
ASSI { 665}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 10 and name HZ ))
3.000 1.100 1.100 peak 665 spectrum 1 weight .10000E+01 volume .10384E-02 ppm1 9.096 ppm2 7.567 CV 1
ASSI { 666}
(( segid "B " and resid 28 and name HN ))
( segid "B " and resid 10 and name HE% )
3.000 1.200 1.200 peak 666 spectrum 1 weight .10000E+01 volume .99132E-03 ppm1 9.095 ppm2 7.131 CV 1
ASSI { 669}
(( segid "B " and resid 46 and name HN ))
(( segid "B " and resid 46 and name HB3 ))
2.800 1.000 1.000 peak 669 spectrum 1 weight .10000E+01 volume .17632E-02 ppm1 7.880 ppm2 1.637 CV 1
ASSI { 672}
(( segid "B " and resid 46 and name HN ))
( segid "B " and resid 51 and name HG2%)
3.200 1.300 1.300 peak 672 spectrum 1 weight .10000E+01 volume .71327E-03 ppm1 7.879 ppm2 .987 CV 1
ASSI { 673}
(( segid "B " and resid 46 and name HN ))
( segid "B " and resid 46 and name HD2%)
2.700 .900 .900 peak 673 spectrum 1 weight .10000E+01 volume .18803E-02 ppm1 7.880 ppm2 .836 CV 1
ASSI { 674}
(( segid "B " and resid 46 and name HN ))
( segid "B " and resid 46 and name HD1%)
2.800 1.000 1.000 peak 674 spectrum 1 weight .10000E+01 volume .15247E-02 ppm1 7.880 ppm2 .732 CV 1
ASSI { 678}
(( segid "B " and resid 46 and name HN ))
(( segid "B " and resid 45 and name HN ))
2.500 .800 .800 peak 678 spectrum 1 weight .10000E+01 volume .29080E-02 ppm1 7.880 ppm2 7.628 CV 1
ASSI { 681}
(( segid "B " and resid 95 and name HN ))
(( segid "B " and resid 93 and name HA ))
3.500 1.500 1.500 peak 681 spectrum 1 weight .10000E+01 volume .42491E-03 ppm1 7.788 ppm2 4.350 CV 1
ASSI { 685}
(( segid "B " and resid 95 and name HN ))
(( segid "B " and resid 95 and name HB3 ))
2.100 2.100 3.900 peak 685 spectrum 1 weight .10000E+01 volume .84322E-02 ppm1 7.789 ppm2 1.955 CV 1
ASSI { 686}
(( segid "B " and resid 95 and name HN ))
(( segid "B " and resid 95 and name HB2 ))
2.800 1.000 1.000 peak 686 spectrum 1 weight .10000E+01 volume .15586E-02 ppm1 7.790 ppm2 1.750 CV 1
ASSI { 687}
(( segid "B " and resid 95 and name HN ))
(( segid "B " and resid 95 and name HG3 ))
2.800 2.800 3.200 peak 687 spectrum 1 weight .10000E+01 volume .17278E-02 ppm1 7.789 ppm2 1.590 CV 1
ASSI { 688}
(( segid "B " and resid 95 and name HN ))
(( segid "B " and resid 94 and name HD3 ))
2.800 2.800 3.200 peak 688 spectrum 1 weight .10000E+01 volume .17450E-02 ppm1 7.789 ppm2 1.516 CV 1
ASSI { 689}
(( segid "B " and resid 61 and name HN ))
( segid "B " and resid 61 and name HB% )
2.300 .700 .700 peak 689 spectrum 1 weight .10000E+01 volume .48267E-02 ppm1 7.045 ppm2 1.541 CV 1
ASSI { 690}
(( segid "B " and resid 61 and name HN ))
( segid "B " and resid 60 and name HB% )
2.600 .800 .800 peak 690 spectrum 1 weight .10000E+01 volume .26076E-02 ppm1 7.044 ppm2 1.313 CV 1
ASSI { 691}
(( segid "B " and resid 61 and name HN ))
( segid "B " and resid 58 and name HG1%)
3.400 1.500 1.500 peak 691 spectrum 1 weight .10000E+01 volume .47235E-03 ppm1 7.046 ppm2 .793 CV 1
ASSI { 693}
(( segid "B " and resid 61 and name HN ))
( segid "B " and resid 58 and name HG2%)
3.700 1.700 1.700 peak 693 spectrum 1 weight .10000E+01 volume .29324E-03 ppm1 7.044 ppm2 .638 CV 1
ASSI { 694}
(( segid "B " and resid 61 and name HN ))
(( segid "B " and resid 58 and name HA ))
3.100 1.200 1.200 peak 694 spectrum 1 weight .10000E+01 volume .93191E-03 ppm1 7.044 ppm2 3.532 CV 1
ASSI { 695}
(( segid "B " and resid 61 and name HN ))
(( segid "B " and resid 62 and name HB2 ))
3.700 1.700 1.700 peak 695 spectrum 1 weight .10000E+01 volume .32314E-03 ppm1 7.044 ppm2 2.668 CV 1
ASSI { 696}
(( segid "B " and resid 61 and name HN ))
(( segid "B " and resid 61 and name HA ))
2.600 .800 .800 peak 696 spectrum 1 weight .10000E+01 volume .26691E-02 ppm1 7.044 ppm2 4.131 CV 1
ASSI { 697}
(( segid "B " and resid 61 and name HN ))
(( segid "B " and resid 60 and name HA ))
3.000 1.100 1.100 peak 697 spectrum 1 weight .10000E+01 volume .10338E-02 ppm1 7.044 ppm2 3.976 CV 1
ASSI { 699}
(( segid "B " and resid 61 and name HN ))
(( segid "B " and resid 62 and name HN ))
2.800 1.000 1.000 peak 699 spectrum 1 weight .10000E+01 volume .17735E-02 ppm1 7.045 ppm2 7.820 CV 1
ASSI { 701}
(( segid "B " and resid 61 and name HN ))
(( segid "B " and resid 60 and name HN ))
2.800 1.000 1.000 peak 701 spectrum 1 weight .10000E+01 volume .14769E-02 ppm1 7.045 ppm2 8.740 CV 1
ASSI { 702}
(( segid "B " and resid 21 and name HN ))
(( segid "B " and resid 19 and name HB ))
2.500 2.500 3.500 peak 702 spectrum 1 weight .10000E+01 volume .34781E-02 ppm1 8.543 ppm2 2.182 CV 1
ASSI { 704}
(( segid "B " and resid 21 and name HN ))
( segid "B " and resid 24 and name HD1%)
3.600 1.600 1.600 peak 704 spectrum 1 weight .10000E+01 volume .37483E-03 ppm1 8.543 ppm2 .772 CV 1
ASSI { 713}
(( segid "B " and resid 25 and name HN ))
( segid "B " and resid 24 and name HG2%)
2.900 1.100 1.100 peak 713 spectrum 1 weight .10000E+01 volume .12661E-02 ppm1 8.297 ppm2 1.099 CV 1
ASSI { 714}
(( segid "B " and resid 25 and name HN ))
( segid "B " and resid 24 and name HD1%)
3.200 3.200 2.800 peak 714 spectrum 1 weight .10000E+01 volume .72813E-03 ppm1 8.297 ppm2 .769 CV 1
ASSI { 716}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 25 and name HG2 ))
2.900 1.000 1.000 peak 716 spectrum 1 weight .10000E+01 volume .13329E-02 ppm1 8.297 ppm2 2.304 CV 1
ASSI { 717}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 25 and name HB3 ))
2.500 .800 .800 peak 717 spectrum 1 weight .10000E+01 volume .34277E-02 ppm1 8.296 ppm2 2.177 CV 1
ASSI { 719}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 24 and name HG13))
3.200 1.300 1.300 peak 719 spectrum 1 weight .10000E+01 volume .76402E-03 ppm1 8.298 ppm2 1.640 CV 1
OR { 719}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 24 and name HG12))
ASSI { 727}
(( segid "B " and resid 97 and name HN ))
(( segid "B " and resid 98 and name HN ))
2.700 .900 .900 peak 727 spectrum 1 weight .10000E+01 volume .18349E-02 ppm1 8.003 ppm2 8.151 CV 1
ASSI { 729}
(( segid "B " and resid 97 and name HN ))
(( segid "B " and resid 95 and name HN ))
3.700 1.700 1.700 peak 729 spectrum 1 weight .10000E+01 volume .32441E-03 ppm1 8.001 ppm2 7.804 CV 1
ASSI { 731}
(( segid "B " and resid 97 and name HN ))
(( segid "B " and resid 98 and name HA ))
3.400 1.500 1.500 peak 731 spectrum 1 weight .10000E+01 volume .48844E-03 ppm1 8.005 ppm2 4.329 CV 1
ASSI { 733}
(( segid "B " and resid 97 and name HN ))
(( segid "B " and resid 97 and name HG3 ))
2.700 .900 .900 peak 733 spectrum 1 weight .10000E+01 volume .18585E-02 ppm1 8.003 ppm2 2.377 CV 1
ASSI { 736}
(( segid "B " and resid 97 and name HN ))
(( segid "B " and resid 98 and name HB2 ))
2.500 2.500 3.500 peak 736 spectrum 1 weight .10000E+01 volume .36002E-02 ppm1 8.003 ppm2 2.053 CV 1
ASSI { 741}
(( segid "B " and resid 51 and name HN ))
(( segid "B " and resid 52 and name HN ))
2.700 .900 .900 peak 741 spectrum 1 weight .10000E+01 volume .21543E-02 ppm1 7.734 ppm2 8.344 CV 1
ASSI { 746}
(( segid "B " and resid 51 and name HN ))
(( segid "B " and resid 48 and name HA ))
3.000 1.100 1.100 peak 746 spectrum 1 weight .10000E+01 volume .11634E-02 ppm1 7.734 ppm2 3.890 CV 1
ASSI { 749}
(( segid "B " and resid 51 and name HN ))
( segid "B " and resid 50 and name HB% )
2.600 .900 .900 peak 749 spectrum 1 weight .10000E+01 volume .23968E-02 ppm1 7.734 ppm2 1.536 CV 1
ASSI { 762}
(( segid "B " and resid 27 and name HN ))
( segid "B " and resid 27 and name HB% )
2.400 .700 .700 peak 762 spectrum 1 weight .10000E+01 volume .40111E-02 ppm1 8.357 ppm2 1.650 CV 1
ASSI { 770}
(( segid "B " and resid 38 and name HN ))
(( segid "B " and resid 39 and name HG1 ))
3.600 1.700 1.700 peak 770 spectrum 1 weight .10000E+01 volume .33556E-03 ppm1 8.931 ppm2 .998 CV 1
ASSI { 791}
(( segid "B " and resid 60 and name HN ))
( segid "B " and resid 61 and name HB% )
3.400 1.500 1.500 peak 791 spectrum 1 weight .10000E+01 volume .47441E-03 ppm1 8.721 ppm2 1.539 CV 1
ASSI { 792}
(( segid "B " and resid 60 and name HN ))
( segid "B " and resid 60 and name HB% )
2.300 .700 .700 peak 792 spectrum 1 weight .10000E+01 volume .53052E-02 ppm1 8.724 ppm2 1.312 CV 1
ASSI { 800}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 31 and name HN ))
3.000 1.100 1.100 peak 800 spectrum 1 weight .10000E+01 volume .10714E-02 ppm1 8.084 ppm2 8.973 CV 1
ASSI { 801}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 5 and name HN ))
2.200 2.200 3.800 peak 801 spectrum 1 weight .10000E+01 volume .67738E-02 ppm1 8.084 ppm2 8.100 CV 1
ASSI { 808}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 28 and name HA ))
3.100 1.200 1.200 peak 808 spectrum 1 weight .10000E+01 volume .83002E-03 ppm1 8.085 ppm2 2.876 CV 1
ASSI { 812}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 28 and name HB3 ))
3.700 3.700 2.300 peak 812 spectrum 1 weight .10000E+01 volume .29496E-03 ppm1 8.083 ppm2 1.511 CV 1
ASSI { 818}
(( segid "B " and resid 62 and name HN ))
(( segid "B " and resid 63 and name HB3 ))
3.500 1.500 1.500 peak 818 spectrum 1 weight .10000E+01 volume .42903E-03 ppm1 7.807 ppm2 1.790 CV 1
ASSI { 819}
(( segid "B " and resid 62 and name HN ))
( segid "B " and resid 61 and name HB% )
2.700 .900 .900 peak 819 spectrum 1 weight .10000E+01 volume .18980E-02 ppm1 7.804 ppm2 1.542 CV 1
ASSI { 821}
(( segid "B " and resid 62 and name HN ))
( segid "B " and resid 58 and name HG2%)
3.400 3.400 2.600 peak 821 spectrum 1 weight .10000E+01 volume .50041E-03 ppm1 7.804 ppm2 .631 CV 1
ASSI { 843}
(( segid "B " and resid 82 and name HN ))
( segid "B " and resid 86 and name HG2%)
3.500 3.500 2.500 peak 843 spectrum 1 weight .10000E+01 volume .44884E-03 ppm1 6.525 ppm2 1.645 CV 1
ASSI { 853}
(( segid "B " and resid 57 and name HN ))
(( segid "B " and resid 57 and name HG2 ))
3.700 1.700 1.700 peak 853 spectrum 1 weight .10000E+01 volume .32561E-03 ppm1 8.235 ppm2 1.191 CV 1
ASSI { 854}
(( segid "B " and resid 57 and name HN ))
(( segid "B " and resid 57 and name HB3 ))
2.600 .800 .800 peak 854 spectrum 1 weight .10000E+01 volume .27124E-02 ppm1 8.238 ppm2 2.081 CV 1
ASSI { 855}
(( segid "B " and resid 57 and name HN ))
(( segid "B " and resid 57 and name HB2 ))
2.600 .800 .800 peak 855 spectrum 1 weight .10000E+01 volume .27644E-02 ppm1 8.238 ppm2 1.934 CV 1
ASSI { 857}
(( segid "B " and resid 57 and name HN ))
( segid "B " and resid 54 and name HB% )
2.900 2.900 3.100 peak 857 spectrum 1 weight .10000E+01 volume .12096E-02 ppm1 8.237 ppm2 1.699 CV 1
ASSI { 859}
(( segid "B " and resid 57 and name HN ))
( segid "B " and resid 60 and name HB% )
3.700 1.700 1.700 peak 859 spectrum 1 weight .10000E+01 volume .32059E-03 ppm1 8.240 ppm2 1.312 CV 1
ASSI { 861}
(( segid "B " and resid 57 and name HN ))
(( segid "B " and resid 56 and name HA ))
3.200 1.200 1.200 peak 861 spectrum 1 weight .10000E+01 volume .79537E-03 ppm1 8.238 ppm2 4.370 CV 1
ASSI { 862}
(( segid "B " and resid 57 and name HN ))
(( segid "B " and resid 54 and name HA ))
3.000 1.100 1.100 peak 862 spectrum 1 weight .10000E+01 volume .10598E-02 ppm1 8.238 ppm2 4.183 CV 1
ASSI { 863}
(( segid "B " and resid 57 and name HN ))
(( segid "B " and resid 57 and name HA ))
2.600 .800 .800 peak 863 spectrum 1 weight .10000E+01 volume .26522E-02 ppm1 8.238 ppm2 4.083 CV 1
ASSI { 864}
(( segid "B " and resid 57 and name HN ))
(( segid "B " and resid 53 and name HN ))
2.100 2.100 3.900 peak 864 spectrum 1 weight .10000E+01 volume .10466E-01 ppm1 8.238 ppm2 8.253 CV 1
ASSI { 865}
(( segid "B " and resid 57 and name HN ))
(( segid "B " and resid 58 and name HN ))
2.800 1.000 1.000 peak 865 spectrum 1 weight .10000E+01 volume .16130E-02 ppm1 8.238 ppm2 7.134 CV 1
ASSI { 870}
(( segid "B " and resid 66 and name HN ))
(( segid "B " and resid 66 and name HD21))
3.300 1.300 1.300 peak 870 spectrum 1 weight .10000E+01 volume .62292E-03 ppm1 7.477 ppm2 7.106 CV 1
ASSI { 871}
(( segid "B " and resid 66 and name HN ))
(( segid "B " and resid 66 and name HA ))
2.600 .900 .900 peak 871 spectrum 1 weight .10000E+01 volume .22793E-02 ppm1 7.478 ppm2 4.547 CV 1
ASSI { 873}
(( segid "B " and resid 66 and name HN ))
(( segid "B " and resid 66 and name HB3 ))
2.800 1.000 1.000 peak 873 spectrum 1 weight .10000E+01 volume .15012E-02 ppm1 7.477 ppm2 2.426 CV 1
ASSI { 874}
(( segid "B " and resid 66 and name HN ))
(( segid "B " and resid 66 and name HB2 ))
2.700 .900 .900 peak 874 spectrum 1 weight .10000E+01 volume .19748E-02 ppm1 7.478 ppm2 2.012 CV 1
ASSI { 877}
(( segid "B " and resid 66 and name HN ))
(( segid "B " and resid 65 and name HG2 ))
3.500 1.500 1.500 peak 877 spectrum 1 weight .10000E+01 volume .41707E-03 ppm1 7.478 ppm2 1.395 CV 1
ASSI { 882}
(( segid "B " and resid 44 and name HN ))
( segid "B " and resid 44 and name HD1%)
2.600 .900 .900 peak 882 spectrum 1 weight .10000E+01 volume .23515E-02 ppm1 7.685 ppm2 .860 CV 1
ASSI { 883}
(( segid "B " and resid 44 and name HN ))
( segid "B " and resid 46 and name HD1%)
3.300 1.400 1.400 peak 883 spectrum 1 weight .10000E+01 volume .60106E-03 ppm1 7.685 ppm2 .732 CV 1
ASSI { 884}
(( segid "B " and resid 44 and name HN ))
(( segid "B " and resid 44 and name HB3 ))
2.500 2.500 3.500 peak 884 spectrum 1 weight .10000E+01 volume .32565E-02 ppm1 7.685 ppm2 1.812 CV 1
ASSI { 885}
(( segid "B " and resid 44 and name HN ))
(( segid "B " and resid 44 and name HB2 ))
2.700 .900 .900 peak 885 spectrum 1 weight .10000E+01 volume .19340E-02 ppm1 7.686 ppm2 1.520 CV 1
ASSI { 892}
(( segid "B " and resid 44 and name HN ))
(( segid "B " and resid 46 and name HN ))
3.300 1.400 1.400 peak 892 spectrum 1 weight .10000E+01 volume .61550E-03 ppm1 7.685 ppm2 7.897 CV 1
ASSI { 902}
(( segid "B " and resid 64 and name HN ))
(( segid "B " and resid 63 and name HB3 ))
3.000 1.100 1.100 peak 902 spectrum 1 weight .10000E+01 volume .11126E-02 ppm1 7.902 ppm2 1.790 CV 1
ASSI { 903}
(( segid "B " and resid 64 and name HN ))
(( segid "B " and resid 63 and name HB2 ))
3.300 1.300 1.300 peak 903 spectrum 1 weight .10000E+01 volume .62911E-03 ppm1 7.905 ppm2 1.707 CV 1
ASSI { 920}
(( segid "B " and resid 65 and name HN ))
(( segid "B " and resid 66 and name HA ))
3.700 1.700 1.700 peak 920 spectrum 1 weight .10000E+01 volume .28738E-03 ppm1 7.218 ppm2 4.551 CV 1
ASSI { 926}
(( segid "B " and resid 65 and name HN ))
(( segid "B " and resid 66 and name HB2 ))
3.700 1.700 1.700 peak 926 spectrum 1 weight .10000E+01 volume .32574E-03 ppm1 7.217 ppm2 2.010 CV 1
ASSI { 927}
(( segid "B " and resid 65 and name HN ))
(( segid "B " and resid 65 and name HB3 ))
2.700 .900 .900 peak 927 spectrum 1 weight .10000E+01 volume .18577E-02 ppm1 7.218 ppm2 1.766 CV 1
ASSI { 928}
(( segid "B " and resid 65 and name HN ))
(( segid "B " and resid 65 and name HB2 ))
2.600 .900 .900 peak 928 spectrum 1 weight .10000E+01 volume .23981E-02 ppm1 7.217 ppm2 1.639 CV 1
ASSI { 930}
(( segid "B " and resid 65 and name HN ))
(( segid "B " and resid 65 and name HG2 ))
2.900 2.900 3.100 peak 930 spectrum 1 weight .10000E+01 volume .12437E-02 ppm1 7.217 ppm2 1.397 CV 1
ASSI { 934}
(( segid "B " and resid 58 and name HN ))
(( segid "B " and resid 56 and name HA ))
3.700 1.700 1.700 peak 934 spectrum 1 weight .10000E+01 volume .28700E-03 ppm1 7.121 ppm2 4.370 CV 1
ASSI { 935}
(( segid "B " and resid 58 and name HN ))
(( segid "B " and resid 54 and name HA ))
3.500 1.600 1.600 peak 935 spectrum 1 weight .10000E+01 volume .39306E-03 ppm1 7.124 ppm2 4.195 CV 1
ASSI { 937}
(( segid "B " and resid 58 and name HN ))
(( segid "B " and resid 58 and name HA ))
2.900 1.100 1.100 peak 937 spectrum 1 weight .10000E+01 volume .12983E-02 ppm1 7.124 ppm2 3.533 CV 1
ASSI { 938}
(( segid "B " and resid 58 and name HN ))
(( segid "B " and resid 55 and name HA ))
3.500 1.500 1.500 peak 938 spectrum 1 weight .10000E+01 volume .46410E-03 ppm1 7.123 ppm2 3.348 CV 1
ASSI { 939}
(( segid "B " and resid 58 and name HN ))
(( segid "B " and resid 56 and name HB2 ))
3.300 3.300 2.700 peak 939 spectrum 1 weight .10000E+01 volume .65676E-03 ppm1 7.123 ppm2 3.262 CV 1
ASSI { 943}
(( segid "B " and resid 58 and name HN ))
( segid "B " and resid 27 and name HB% )
3.100 1.200 1.200 peak 943 spectrum 1 weight .10000E+01 volume .82507E-03 ppm1 7.123 ppm2 1.652 CV 1
ASSI { 944}
(( segid "B " and resid 58 and name HN ))
( segid "B " and resid 61 and name HB% )
3.600 1.600 1.600 peak 944 spectrum 1 weight .10000E+01 volume .34488E-03 ppm1 7.123 ppm2 1.544 CV 1
ASSI { 945}
(( segid "B " and resid 58 and name HN ))
(( segid "B " and resid 57 and name HG2 ))
3.300 1.400 1.400 peak 945 spectrum 1 weight .10000E+01 volume .58456E-03 ppm1 7.124 ppm2 1.198 CV 1
ASSI { 947}
(( segid "B " and resid 58 and name HN ))
( segid "B " and resid 58 and name HG2%)
2.900 1.100 1.100 peak 947 spectrum 1 weight .10000E+01 volume .12421E-02 ppm1 7.123 ppm2 .639 CV 1
ASSI { 952}
(( segid "B " and resid 87 and name HN ))
(( segid "B " and resid 86 and name HB ))
3.100 1.200 1.200 peak 952 spectrum 1 weight .10000E+01 volume .85106E-03 ppm1 7.863 ppm2 2.080 CV 1
ASSI { 954}
(( segid "B " and resid 87 and name HN ))
(( segid "B " and resid 87 and name HB3 ))
2.600 .800 .800 peak 954 spectrum 1 weight .10000E+01 volume .25445E-02 ppm1 7.861 ppm2 1.846 CV 1
ASSI { 955}
(( segid "B " and resid 87 and name HN ))
(( segid "B " and resid 85 and name HB ))
2.900 2.900 3.100 peak 955 spectrum 1 weight .10000E+01 volume .12524E-02 ppm1 7.860 ppm2 1.685 CV 1
ASSI { 956}
(( segid "B " and resid 87 and name HN ))
( segid "A " and resid 76 and name HB% )
3.700 3.700 2.300 peak 956 spectrum 1 weight .10000E+01 volume .29673E-03 ppm1 7.857 ppm2 1.102 CV 1
ASSI { 957}
(( segid "B " and resid 87 and name HN ))
( segid "B " and resid 86 and name HG1%)
3.300 1.400 1.400 peak 957 spectrum 1 weight .10000E+01 volume .60642E-03 ppm1 7.860 ppm2 1.013 CV 1
ASSI { 958}
(( segid "B " and resid 87 and name HN ))
( segid "A " and resid 74 and name HG1%)
3.000 3.000 3.000 peak 958 spectrum 1 weight .10000E+01 volume .10747E-02 ppm1 7.862 ppm2 .861 CV 1
ASSI { 962}
(( segid "B " and resid 56 and name HN ))
( segid "B " and resid 55 and name HG1%)
3.000 1.100 1.100 peak 962 spectrum 1 weight .10000E+01 volume .10384E-02 ppm1 8.659 ppm2 1.001 CV 1
ASSI { 963}
(( segid "B " and resid 56 and name HN ))
( segid "B " and resid 55 and name HG2%)
3.000 1.100 1.100 peak 963 spectrum 1 weight .10000E+01 volume .11365E-02 ppm1 8.659 ppm2 .910 CV 1
ASSI { 964}
(( segid "B " and resid 56 and name HN ))
( segid "B " and resid 54 and name HB% )
3.500 1.500 1.500 peak 964 spectrum 1 weight .10000E+01 volume .41790E-03 ppm1 8.661 ppm2 1.687 CV 1
ASSI { 967}
(( segid "B " and resid 56 and name HN ))
(( segid "B " and resid 53 and name HA ))
3.000 1.100 1.100 peak 967 spectrum 1 weight .10000E+01 volume .11361E-02 ppm1 8.659 ppm2 4.144 CV 1
ASSI { 984}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 4 and name HG2 ))
3.700 1.700 1.700 peak 984 spectrum 1 weight .10000E+01 volume .29039E-03 ppm1 7.618 ppm2 1.421 CV 1
ASSI { 986}
(( segid "B " and resid 33 and name HN ))
( segid "B " and resid 32 and name HG1%)
2.900 1.000 1.000 peak 986 spectrum 1 weight .10000E+01 volume .13242E-02 ppm1 7.617 ppm2 .835 CV 1
ASSI { 987}
(( segid "B " and resid 33 and name HN ))
( segid "B " and resid 32 and name HG2%)
3.000 1.200 1.200 peak 987 spectrum 1 weight .10000E+01 volume .10029E-02 ppm1 7.617 ppm2 .427 CV 1
ASSI { 996}
(( segid "B " and resid 43 and name HN ))
(( segid "B " and resid 43 and name HB2 ))
2.400 .700 .700 peak 996 spectrum 1 weight .10000E+01 volume .42573E-02 ppm1 8.157 ppm2 3.914 CV 1
ASSI { 999}
(( segid "B " and resid 43 and name HN ))
(( segid "B " and resid 42 and name HG1 ))
2.900 2.900 3.100 peak 999 spectrum 1 weight .10000E+01 volume .13119E-02 ppm1 8.157 ppm2 1.260 CV 1
ASSI { 1001}
(( segid "B " and resid 43 and name HN ))
( segid "B " and resid 44 and name HD1%)
3.500 1.600 1.600 peak 1001 spectrum 1 weight .10000E+01 volume .39732E-03 ppm1 8.159 ppm2 .862 CV 1
ASSI { 1014}
(( segid "B " and resid 31 and name HN ))
( segid "B " and resid 32 and name HG1%)
3.000 3.000 3.000 peak 1014 spectrum 1 weight .10000E+01 volume .11213E-02 ppm1 8.957 ppm2 .821 CV 1
ASSI { 1015}
(( segid "B " and resid 11 and name HN ))
(( segid "B " and resid 10 and name HB3 ))
3.200 1.300 1.300 peak 1015 spectrum 1 weight .10000E+01 volume .69883E-03 ppm1 8.424 ppm2 2.750 CV 1
ASSI { 1025}
(( segid "B " and resid 11 and name HN ))
(( segid "B " and resid 10 and name HB2 ))
3.000 1.100 1.100 peak 1025 spectrum 1 weight .10000E+01 volume .10660E-02 ppm1 8.424 ppm2 3.266 CV 1
ASSI { 1026}
(( segid "B " and resid 84 and name HN ))
(( segid "B " and resid 84 and name HB2 ))
2.700 .900 .900 peak 1026 spectrum 1 weight .10000E+01 volume .20227E-02 ppm1 7.855 ppm2 3.069 CV 1
ASSI { 1027}
(( segid "B " and resid 84 and name HN ))
(( segid "B " and resid 84 and name HB3 ))
2.700 .900 .900 peak 1027 spectrum 1 weight .10000E+01 volume .19249E-02 ppm1 7.856 ppm2 3.000 CV 1
ASSI { 1028}
(( segid "B " and resid 84 and name HN ))
( segid "B " and resid 86 and name HG2%)
3.500 1.500 1.500 peak 1028 spectrum 1 weight .10000E+01 volume .45420E-03 ppm1 7.853 ppm2 1.674 CV 1
ASSI { 1029}
(( segid "B " and resid 84 and name HN ))
( segid "B " and resid 83 and name HB% )
2.800 1.000 1.000 peak 1029 spectrum 1 weight .10000E+01 volume .15784E-02 ppm1 7.856 ppm2 1.225 CV 1
ASSI { 1030}
(( segid "B " and resid 84 and name HN ))
( segid "A " and resid 74 and name HG1%)
3.500 3.500 2.500 peak 1030 spectrum 1 weight .10000E+01 volume .45873E-03 ppm1 7.858 ppm2 .862 CV 1
ASSI { 1031}
(( segid "B " and resid 84 and name HN ))
(( segid "B " and resid 81 and name HA ))
3.400 1.500 1.500 peak 1031 spectrum 1 weight .10000E+01 volume .48679E-03 ppm1 7.855 ppm2 4.332 CV 1
ASSI { 1032}
(( segid "B " and resid 84 and name HN ))
(( segid "B " and resid 84 and name HA ))
2.800 1.000 1.000 peak 1032 spectrum 1 weight .10000E+01 volume .14979E-02 ppm1 7.856 ppm2 4.030 CV 1
ASSI { 1033}
(( segid "B " and resid 84 and name HN ))
(( segid "B " and resid 83 and name HA ))
3.200 1.300 1.300 peak 1033 spectrum 1 weight .10000E+01 volume .68687E-03 ppm1 7.855 ppm2 3.709 CV 1
ASSI { 1034}
(( segid "B " and resid 84 and name HN ))
(( segid "B " and resid 83 and name HN ))
3.000 1.100 1.100 peak 1034 spectrum 1 weight .10000E+01 volume .10804E-02 ppm1 7.855 ppm2 7.991 CV 1
ASSI { 1035}
(( segid "B " and resid 84 and name HN ))
(( segid "B " and resid 87 and name HN ))
2.400 2.400 3.600 peak 1035 spectrum 1 weight .10000E+01 volume .37042E-02 ppm1 7.855 ppm2 7.870 CV 1
ASSI { 1036}
(( segid "B " and resid 84 and name HN ))
( segid "B " and resid 84 and name HD% )
3.300 1.400 1.400 peak 1036 spectrum 1 weight .10000E+01 volume .55568E-03 ppm1 7.855 ppm2 7.052 CV 1
ASSI { 1037}
(( segid "B " and resid 84 and name HN ))
(( segid "B " and resid 85 and name HN ))
3.200 1.300 1.300 peak 1037 spectrum 1 weight .10000E+01 volume .73142E-03 ppm1 7.856 ppm2 6.813 CV 1
ASSI { 1057}
(( segid "B " and resid 99 and name HN ))
(( segid "B " and resid 98 and name HB3 ))
3.100 1.200 1.200 peak 1057 spectrum 1 weight .10000E+01 volume .92572E-03 ppm1 8.038 ppm2 2.100 CV 1
ASSI { 1070}
(( segid "B " and resid 52 and name HN ))
( segid "B " and resid 50 and name HB% )
3.500 1.500 1.500 peak 1070 spectrum 1 weight .10000E+01 volume .41295E-03 ppm1 8.329 ppm2 1.534 CV 1
ASSI { 1085}
(( segid "B " and resid 100 and name HN ))
(( segid "B " and resid 99 and name HN ))
2.900 1.000 1.000 peak 1085 spectrum 1 weight .10000E+01 volume .13345E-02 ppm1 8.231 ppm2 8.034 CV 1
ASSI { 1088}
(( segid "B " and resid 100 and name HN ))
(( segid "B " and resid 99 and name HB ))
3.000 1.100 1.100 peak 1088 spectrum 1 weight .10000E+01 volume .11778E-02 ppm1 8.231 ppm2 4.229 CV 1
ASSI { 1094}
(( segid "B " and resid 49 and name HN ))
(( segid "B " and resid 52 and name HB2 ))
4.000 2.000 2.000 peak 1094 spectrum 1 weight .10000E+01 volume .18961E-03 ppm1 8.738 ppm2 4.001 CV 1
ASSI { 1104}
(( segid "B " and resid 57 and name HN ))
(( segid "B " and resid 58 and name HA ))
4.400 2.400 1.600 peak 1104 spectrum 1 weight .10000E+01 volume .11200E-03 ppm1 8.248 ppm2 3.535 CV 1
ASSI { 1107}
(( segid "B " and resid 63 and name HN ))
(( segid "B " and resid 64 and name HN ))
3.000 1.100 1.100 peak 1107 spectrum 1 weight .10000E+01 volume .11126E-02 ppm1 8.233 ppm2 7.919 CV 1
ASSI { 1136}
(( segid "B " and resid 75 and name HN ))
(( segid "B " and resid 74 and name HN ))
3.600 1.600 1.600 peak 1136 spectrum 1 weight .10000E+01 volume .34359E-03 ppm1 8.287 ppm2 9.205 CV 1
ASSI { 1151}
(( segid "B " and resid 54 and name HN ))
(( segid "B " and resid 54 and name HA ))
2.600 .800 .800 peak 1151 spectrum 1 weight .10000E+01 volume .28139E-02 ppm1 7.495 ppm2 4.185 CV 1
ASSI { 1154}
(( segid "B " and resid 54 and name HN ))
(( segid "B " and resid 52 and name HB2 ))
3.600 3.600 2.400 peak 1154 spectrum 1 weight .10000E+01 volume .34257E-03 ppm1 7.504 ppm2 4.021 CV 1
ASSI { 1155}
(( segid "B " and resid 54 and name HN ))
(( segid "B " and resid 51 and name HA ))
3.200 1.300 1.300 peak 1155 spectrum 1 weight .10000E+01 volume .77928E-03 ppm1 7.493 ppm2 3.617 CV 1
ASSI { 1158}
(( segid "B " and resid 54 and name HN ))
(( segid "B " and resid 53 and name HG3 ))
3.900 1.900 1.900 peak 1158 spectrum 1 weight .10000E+01 volume .23085E-03 ppm1 7.495 ppm2 2.532 CV 1
ASSI { 1159}
(( segid "B " and resid 54 and name HN ))
(( segid "B " and resid 53 and name HG2 ))
3.800 1.800 1.800 peak 1159 spectrum 1 weight .10000E+01 volume .27203E-03 ppm1 7.494 ppm2 2.418 CV 1
ASSI { 1160}
(( segid "B " and resid 54 and name HN ))
(( segid "B " and resid 53 and name HB3 ))
2.700 .900 .900 peak 1160 spectrum 1 weight .10000E+01 volume .18659E-02 ppm1 7.495 ppm2 2.154 CV 1
ASSI { 1161}
(( segid "B " and resid 88 and name HN ))
(( segid "B " and resid 89 and name HB3 ))
2.700 2.700 3.300 peak 1161 spectrum 1 weight .10000E+01 volume .18330E-02 ppm1 7.538 ppm2 1.991 CV 1
ASSI { 1163}
(( segid "B " and resid 88 and name HN ))
(( segid "B " and resid 88 and name HB3 ))
2.700 .900 .900 peak 1163 spectrum 1 weight .10000E+01 volume .22136E-02 ppm1 7.539 ppm2 1.747 CV 1
ASSI { 1164}
(( segid "B " and resid 54 and name HN ))
( segid "B " and resid 54 and name HB% )
2.300 .700 .700 peak 1164 spectrum 1 weight .10000E+01 volume .50948E-02 ppm1 7.496 ppm2 1.688 CV 1
ASSI { 1171}
(( segid "B " and resid 54 and name HN ))
( segid "B " and resid 26 and name HG2%)
3.600 1.600 1.600 peak 1171 spectrum 1 weight .10000E+01 volume .37908E-03 ppm1 7.494 ppm2 .678 CV 1
ASSI { 1172}
(( segid "B " and resid 54 and name HN ))
( segid "B " and resid 58 and name HG2%)
3.500 3.500 2.500 peak 1172 spectrum 1 weight .10000E+01 volume .45956E-03 ppm1 7.497 ppm2 .638 CV 1
ASSI { 1182}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 19 and name HA ))
2.600 .900 .900 peak 1182 spectrum 1 weight .10000E+01 volume .23155E-02 ppm1 7.568 ppm2 4.605 CV 1
ASSI { 1194}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 23 and name HB ))
2.500 .800 .800 peak 1194 spectrum 1 weight .10000E+01 volume .32368E-02 ppm1 7.570 ppm2 4.282 CV 1
ASSI { 1196}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 21 and name HA ))
3.700 1.700 1.700 peak 1196 spectrum 1 weight .10000E+01 volume .29298E-03 ppm1 7.571 ppm2 3.960 CV 1
ASSI { 1197}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 23 and name HA ))
2.800 1.000 1.000 peak 1197 spectrum 1 weight .10000E+01 volume .14757E-02 ppm1 7.570 ppm2 3.795 CV 1
ASSI { 1203}
(( segid "B " and resid 94 and name HN ))
(( segid "B " and resid 94 and name HA ))
2.600 .800 .800 peak 1203 spectrum 1 weight .10000E+01 volume .27801E-02 ppm1 7.934 ppm2 4.176 CV 1
ASSI { 1205}
(( segid "B " and resid 29 and name HN ))
( segid "B " and resid 10 and name HE% )
3.700 1.800 1.800 peak 1205 spectrum 1 weight .10000E+01 volume .28291E-03 ppm1 7.856 ppm2 7.131 CV 1
ASSI { 1238}
(( segid "B " and resid 78 and name HN ))
(( segid "A " and resid 72 and name HN ))
3.500 1.600 1.600 peak 1238 spectrum 1 weight .10000E+01 volume .40462E-03 ppm1 8.770 ppm2 9.258 CV 1
ASSI { 1246}
(( segid "B " and resid 9 and name HN ))
( segid "B " and resid 62 and name HE% )
3.800 3.800 2.200 peak 1246 spectrum 1 weight .10000E+01 volume .26055E-03 ppm1 7.688 ppm2 7.101 CV 1
ASSI { 1247}
(( segid "B " and resid 10 and name HN ))
( segid "B " and resid 10 and name HD% )
3.100 1.200 1.200 peak 1247 spectrum 1 weight .10000E+01 volume .88983E-03 ppm1 8.810 ppm2 6.985 CV 1
ASSI { 1253}
(( segid "B " and resid 10 and name HN ))
(( segid "B " and resid 10 and name HB2 ))
2.500 .800 .800 peak 1253 spectrum 1 weight .10000E+01 volume .35284E-02 ppm1 8.806 ppm2 3.256 CV 1
ASSI { 1275}
(( segid "B " and resid 60 and name HN ))
(( segid "B " and resid 59 and name HE3 ))
3.900 1.900 1.900 peak 1275 spectrum 1 weight .10000E+01 volume .23816E-03 ppm1 8.723 ppm2 7.217 CV 1
ASSI { 1288}
(( segid "B " and resid 87 and name HN ))
(( segid "B " and resid 85 and name HN ))
4.400 2.400 1.600 peak 1288 spectrum 1 weight .10000E+01 volume .11312E-03 ppm1 7.851 ppm2 6.813 CV 1
ASSI { 1290}
(( segid "B " and resid 91 and name HN ))
(( segid "B " and resid 88 and name HN ))
4.000 2.000 2.000 peak 1290 spectrum 1 weight .10000E+01 volume .20131E-03 ppm1 7.849 ppm2 7.550 CV 1
ASSI { 1293}
(( segid "B " and resid 94 and name HN ))
(( segid "B " and resid 93 and name HN ))
2.700 .900 .900 peak 1293 spectrum 1 weight .10000E+01 volume .18535E-02 ppm1 7.937 ppm2 8.041 CV 1
ASSI { 1294}
(( segid "B " and resid 95 and name HN ))
(( segid "B " and resid 93 and name HN ))
3.100 1.200 1.200 peak 1294 spectrum 1 weight .10000E+01 volume .81105E-03 ppm1 7.790 ppm2 8.032 CV 1
ASSI { 1312}
(( segid "B " and resid 6 and name HN ))
(( segid "B " and resid 6 and name HB ))
3.500 1.500 1.500 peak 1312 spectrum 1 weight .10000E+01 volume .45668E-03 ppm1 8.626 ppm2 4.760 CV 1
ASSI { 1313}
(( segid "B " and resid 11 and name HN ))
(( segid "B " and resid 10 and name HA ))
3.100 1.200 1.200 peak 1313 spectrum 1 weight .10000E+01 volume .83456E-03 ppm1 8.422 ppm2 3.746 CV 1
ASSI { 1314}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 15 and name HA ))
2.700 .900 .900 peak 1314 spectrum 1 weight .10000E+01 volume .18775E-02 ppm1 7.163 ppm2 4.029 CV 1
ASSI { 1318}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 34 and name HA2 ))
3.400 1.500 1.500 peak 1318 spectrum 1 weight .10000E+01 volume .49422E-03 ppm1 7.617 ppm2 3.869 CV 1
ASSI { 1320}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 33 and name HB3 ))
4.000 2.000 2.000 peak 1320 spectrum 1 weight .10000E+01 volume .19163E-03 ppm1 8.087 ppm2 2.801 CV 1
ASSI { 1324}
(( segid "B " and resid 43 and name HN ))
(( segid "B " and resid 42 and name HB ))
2.600 .800 .800 peak 1324 spectrum 1 weight .10000E+01 volume .27455E-02 ppm1 8.157 ppm2 4.189 CV 1
ASSI { 1325}
(( segid "B " and resid 43 and name HN ))
(( segid "B " and resid 43 and name HA ))
2.500 .800 .800 peak 1325 spectrum 1 weight .10000E+01 volume .28601E-02 ppm1 8.160 ppm2 4.227 CV 1
ASSI { 1326}
(( segid "B " and resid 46 and name HN ))
(( segid "B " and resid 45 and name HA2 ))
2.300 2.300 3.700 peak 1326 spectrum 1 weight .10000E+01 volume .47689E-02 ppm1 7.880 ppm2 3.928 CV 1
ASSI { 1328}
(( segid "B " and resid 47 and name HN ))
(( segid "B " and resid 50 and name HA ))
3.900 1.900 1.900 peak 1328 spectrum 1 weight .10000E+01 volume .22529E-03 ppm1 7.967 ppm2 4.178 CV 1
ASSI { 1332}
(( segid "B " and resid 59 and name HN ))
(( segid "B " and resid 54 and name HA ))
2.900 2.900 3.100 peak 1332 spectrum 1 weight .10000E+01 volume .13515E-02 ppm1 8.804 ppm2 4.195 CV 1
ASSI { 1333}
(( segid "B " and resid 61 and name HN ))
(( segid "B " and resid 62 and name HB3 ))
3.900 1.900 1.900 peak 1333 spectrum 1 weight .10000E+01 volume .23090E-03 ppm1 7.044 ppm2 2.869 CV 1
ASSI { 1345}
(( segid "B " and resid 71 and name HN ))
(( segid "B " and resid 69 and name HB2 ))
3.500 3.500 2.500 peak 1345 spectrum 1 weight .10000E+01 volume .40763E-03 ppm1 7.975 ppm2 1.967 CV 1
ASSI { 1347}
(( segid "B " and resid 75 and name HN ))
(( segid "B " and resid 75 and name HB ))
2.800 1.000 1.000 peak 1347 spectrum 1 weight .10000E+01 volume .14640E-02 ppm1 8.289 ppm2 3.904 CV 1
ASSI { 1348}
(( segid "B " and resid 75 and name HN ))
(( segid "B " and resid 74 and name HA ))
2.300 .700 .700 peak 1348 spectrum 1 weight .10000E+01 volume .54496E-02 ppm1 8.288 ppm2 4.616 CV 1
ASSI { 1350}
(( segid "B " and resid 75 and name HN ))
(( segid "B " and resid 75 and name HA ))
3.200 1.300 1.300 peak 1350 spectrum 1 weight .10000E+01 volume .69966E-03 ppm1 8.288 ppm2 5.519 CV 1
ASSI { 1351}
(( segid "B " and resid 75 and name HN ))
(( segid "B " and resid 74 and name HB ))
2.900 1.100 1.100 peak 1351 spectrum 1 weight .10000E+01 volume .12957E-02 ppm1 8.287 ppm2 1.929 CV 1
ASSI { 1352}
(( segid "B " and resid 75 and name HN ))
(( segid "B " and resid 75 and name HG1 ))
2.900 1.000 1.000 peak 1352 spectrum 1 weight .10000E+01 volume .14555E-02 ppm1 8.288 ppm2 1.113 CV 1
ASSI { 1378}
(( segid "B " and resid 11 and name HN ))
( segid "B " and resid 13 and name HB% )
4.200 2.200 1.800 peak 1378 spectrum 1 weight .10000E+01 volume .14439E-03 ppm1 8.428 ppm2 1.363 CV 1
ASSI { 1379}
(( segid "B " and resid 59 and name HN ))
(( segid "B " and resid 58 and name HA ))
3.500 1.500 1.500 peak 1379 spectrum 1 weight .10000E+01 volume .41121E-03 ppm1 8.806 ppm2 3.533 CV 1
ASSI { 1381}
(( segid "B " and resid 59 and name HN ))
(( segid "B " and resid 59 and name HB3 ))
3.500 1.600 1.600 peak 1381 spectrum 1 weight .10000E+01 volume .40502E-03 ppm1 8.811 ppm2 2.178 CV 1
ASSI { 1382}
(( segid "B " and resid 59 and name HN ))
(( segid "B " and resid 58 and name HB ))
2.900 1.100 1.100 peak 1382 spectrum 1 weight .10000E+01 volume .12100E-02 ppm1 8.804 ppm2 1.931 CV 1
ASSI { 1383}
(( segid "B " and resid 59 and name HN ))
(( segid "B " and resid 56 and name HA ))
3.200 1.300 1.300 peak 1383 spectrum 1 weight .10000E+01 volume .75906E-03 ppm1 8.803 ppm2 4.372 CV 1
ASSI { 1385}
(( segid "B " and resid 59 and name HN ))
( segid "B " and resid 58 and name HG1%)
3.200 1.300 1.300 peak 1385 spectrum 1 weight .10000E+01 volume .73802E-03 ppm1 8.804 ppm2 .771 CV 1
ASSI { 1387}
(( segid "B " and resid 10 and name HN ))
( segid "B " and resid 32 and name HG2%)
3.200 1.300 1.300 peak 1387 spectrum 1 weight .10000E+01 volume .68811E-03 ppm1 8.811 ppm2 .427 CV 1
ASSI { 1390}
(( segid "B " and resid 11 and name HN ))
(( segid "B " and resid 14 and name HG12))
3.900 1.900 1.900 peak 1390 spectrum 1 weight .10000E+01 volume .23188E-03 ppm1 8.424 ppm2 1.198 CV 1
ASSI { 1391}
(( segid "B " and resid 11 and name HN ))
( segid "B " and resid 32 and name HG2%)
3.700 1.800 1.800 peak 1391 spectrum 1 weight .10000E+01 volume .28535E-03 ppm1 8.425 ppm2 .425 CV 1
ASSI { 1393}
(( segid "B " and resid 59 and name HN ))
( segid "B " and resid 27 and name HB% )
3.200 1.300 1.300 peak 1393 spectrum 1 weight .10000E+01 volume .73761E-03 ppm1 8.809 ppm2 1.661 CV 1
ASSI { 1396}
(( segid "B " and resid 84 and name HN ))
( segid "B " and resid 85 and name HG2%)
4.200 2.200 1.800 peak 1396 spectrum 1 weight .10000E+01 volume .13894E-03 ppm1 7.849 ppm2 -.095 CV 1
ASSI { 1400}
(( segid "B " and resid 90 and name HN ))
(( segid "B " and resid 90 and name HB3 ))
2.900 1.100 1.100 peak 1400 spectrum 1 weight .10000E+01 volume .12091E-02 ppm1 8.890 ppm2 2.086 CV 1
ASSI { 1403}
(( segid "B " and resid 89 and name HN ))
(( segid "B " and resid 88 and name HB3 ))
3.000 1.100 1.100 peak 1403 spectrum 1 weight .10000E+01 volume .11600E-02 ppm1 8.888 ppm2 1.752 CV 1
ASSI { 1409}
(( segid "B " and resid 89 and name HN ))
( segid "B " and resid 85 and name HG2%)
3.900 1.900 1.900 peak 1409 spectrum 1 weight .10000E+01 volume .22388E-03 ppm1 8.890 ppm2 -.091 CV 1
ASSI { 1430}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 63 and name HB3 ))
3.300 3.300 2.700 peak 1430 spectrum 1 weight .10000E+01 volume .66006E-03 ppm1 9.980 ppm2 1.792 CV 1
ASSI { 1441}
(( segid "B " and resid 100 and name HN ))
(( segid "B " and resid 99 and name HG1 ))
3.200 3.200 2.800 peak 1441 spectrum 1 weight .10000E+01 volume .78257E-03 ppm1 8.231 ppm2 1.242 CV 1
ASSI { 1459}
(( segid "B " and resid 66 and name HD22))
(( segid "B " and resid 66 and name HN ))
3.700 1.700 1.700 peak 1459 spectrum 1 weight .10000E+01 volume .32210E-03 ppm1 6.516 ppm2 7.494 CV 1
ASSI { 1482}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 22 and name HA ))
3.600 1.600 1.600 peak 1482 spectrum 1 weight .10000E+01 volume .35169E-03 ppm1 8.114 ppm2 4.170 CV 1
ASSI { 1489}
(( segid "B " and resid 94 and name HN ))
(( segid "B " and resid 94 and name HB2 ))
2.300 .700 .700 peak 1489 spectrum 1 weight .10000E+01 volume .49339E-02 ppm1 7.934 ppm2 1.967 CV 1
ASSI { 1490}
(( segid "B " and resid 94 and name HN ))
( segid "B " and resid 93 and name HB% )
2.400 .700 .700 peak 1490 spectrum 1 weight .10000E+01 volume .41707E-02 ppm1 7.938 ppm2 1.776 CV 1
ASSI { 1495}
(( segid "B " and resid 94 and name HN ))
(( segid "B " and resid 92 and name HB2 ))
3.900 1.900 1.900 peak 1495 spectrum 1 weight .10000E+01 volume .24038E-03 ppm1 7.937 ppm2 2.749 CV 1
ASSI { 1497}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 27 and name HA ))
2.900 1.000 1.000 peak 1497 spectrum 1 weight .10000E+01 volume .13407E-02 ppm1 7.943 ppm2 3.851 CV 1
ASSI { 1530}
(( segid "B " and resid 66 and name HD21))
(( segid "B " and resid 66 and name HB3 ))
3.100 1.200 1.200 peak 1530 spectrum 1 weight .10000E+01 volume .84445E-03 ppm1 7.090 ppm2 2.426 CV 1
ASSI { 1539}
(( segid "B " and resid 66 and name HD21))
(( segid "B " and resid 66 and name HA ))
3.700 1.700 1.700 peak 1539 spectrum 1 weight .10000E+01 volume .30890E-03 ppm1 7.091 ppm2 4.545 CV 1
ASSI { 1541}
(( segid "B " and resid 66 and name HD22))
(( segid "B " and resid 66 and name HA ))
3.800 1.800 1.800 peak 1541 spectrum 1 weight .10000E+01 volume .26926E-03 ppm1 6.516 ppm2 4.544 CV 1
ASSI { 1573}
(( segid "B " and resid 4 and name HE ))
(( segid "B " and resid 4 and name HD2 ))
4.100 2.100 1.900 peak 1573 spectrum 1 weight .10000E+01 volume .16555E-03 ppm1 6.643 ppm2 3.207 CV 1
ASSI { 1575}
(( segid "B " and resid 4 and name HE ))
(( segid "B " and resid 4 and name HG3 ))
4.300 2.300 1.700 peak 1575 spectrum 1 weight .10000E+01 volume .13221E-03 ppm1 6.641 ppm2 1.643 CV 1
OR { 1575}
(( segid "B " and resid 4 and name HE ))
(( segid "B " and resid 4 and name HB2 ))
ASSI { 1583}
(( segid "B " and resid 81 and name HN ))
(( segid "B " and resid 80 and name HB3 ))
3.900 1.900 1.900 peak 1583 spectrum 1 weight .10000E+01 volume .21997E-03 ppm1 8.511 ppm2 1.871 CV 1
ASSI { 1591}
(( segid "B " and resid 16 and name HN ))
( segid "B " and resid 17 and name HD2%)
4.700 2.700 1.300 peak 1591 spectrum 1 weight .10000E+01 volume .76690E-04 ppm1 8.913 ppm2 .809 CV 1
ASSI { 1592}
(( segid "B " and resid 16 and name HN ))
( segid "B " and resid 17 and name HD1%)
4.400 2.500 1.600 peak 1592 spectrum 1 weight .10000E+01 volume .10367E-03 ppm1 8.913 ppm2 .739 CV 1
ASSI { 1610}
(( segid "B " and resid 5 and name HN ))
(( segid "B " and resid 31 and name HA ))
3.300 1.300 1.300 peak 1610 spectrum 1 weight .10000E+01 volume .62582E-03 ppm1 8.083 ppm2 4.263 CV 1
ASSI { 1612}
(( segid "B " and resid 5 and name HN ))
(( segid "B " and resid 4 and name HD2 ))
4.000 2.000 2.000 peak 1612 spectrum 1 weight .10000E+01 volume .17813E-03 ppm1 8.086 ppm2 3.200 CV 1
ASSI { 1617}
(( segid "B " and resid 5 and name HN ))
( segid "B " and resid 32 and name HG1%)
3.100 1.200 1.200 peak 1617 spectrum 1 weight .10000E+01 volume .83497E-03 ppm1 8.081 ppm2 .826 CV 1
ASSI { 1620}
(( segid "B " and resid 96 and name HN ))
(( segid "B " and resid 95 and name HE2 ))
4.000 2.000 2.000 peak 1620 spectrum 1 weight .10000E+01 volume .20404E-03 ppm1 7.919 ppm2 3.014 CV 1
ASSI { 1630}
(( segid "B " and resid 60 and name HN ))
(( segid "B " and resid 62 and name HN ))
4.300 2.300 1.700 peak 1630 spectrum 1 weight .10000E+01 volume .12385E-03 ppm1 8.714 ppm2 7.814 CV 1
ASSI { 1631}
(( segid "B " and resid 81 and name HN ))
(( segid "B " and resid 82 and name HN ))
4.000 2.000 2.000 peak 1631 spectrum 1 weight .10000E+01 volume .17756E-03 ppm1 8.498 ppm2 6.533 CV 1
ASSI { 1632}
(( segid "B " and resid 60 and name HN ))
(( segid "B " and resid 58 and name HA ))
3.900 1.900 1.900 peak 1632 spectrum 1 weight .10000E+01 volume .23445E-03 ppm1 8.725 ppm2 3.531 CV 1
ASSI { 1}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 14 and name HA ))
2.400 2.400 3.600 peak 1 spectrum 1 weight .10000E+01 volume .39826E-02 ppm1 7.159 ppm2 4.023 CV 1
ASSI { 3}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 17 and name HN ))
3.600 1.700 1.700 peak 3 spectrum 1 weight .10000E+01 volume .33210E-03 ppm1 7.159 ppm2 7.566 CV 1
ASSI { 15}
(( segid "A " and resid 101 and name HN ))
(( segid "A " and resid 101 and name HG3 ))
3.100 1.200 1.200 peak 15 spectrum 1 weight .10000E+01 volume .88983E-03 ppm1 7.999 ppm2 1.611 CV 1
OR { 15}
(( segid "A " and resid 101 and name HN ))
(( segid "A " and resid 101 and name HG2 ))
ASSI { 16}
(( segid "A " and resid 101 and name HN ))
(( segid "A " and resid 101 and name HG3 ))
2.800 .900 .900 peak 16 spectrum 1 weight .10000E+01 volume .17909E-02 ppm1 8.000 ppm2 1.714 CV 1
ASSI { 17}
(( segid "A " and resid 101 and name HN ))
(( segid "A " and resid 100 and name HB2 ))
3.200 1.300 1.300 peak 17 spectrum 1 weight .10000E+01 volume .75040E-03 ppm1 8.000 ppm2 1.867 CV 1
ASSI { 18}
(( segid "A " and resid 101 and name HN ))
(( segid "A " and resid 101 and name HA ))
2.800 1.000 1.000 peak 18 spectrum 1 weight .10000E+01 volume .15758E-02 ppm1 8.000 ppm2 4.205 CV 1
ASSI { 19}
(( segid "A " and resid 101 and name HN ))
(( segid "A " and resid 100 and name HA ))
2.200 .600 .600 peak 19 spectrum 1 weight .10000E+01 volume .73102E-02 ppm1 8.000 ppm2 4.351 CV 1
ASSI { 21}
(( segid "A " and resid 101 and name HN ))
(( segid "A " and resid 100 and name HN ))
3.400 1.400 1.400 peak 21 spectrum 1 weight .10000E+01 volume .51319E-03 ppm1 7.999 ppm2 8.244 CV 1
ASSI { 24}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 17 and name HA ))
2.500 .800 .800 peak 24 spectrum 1 weight .10000E+01 volume .35961E-02 ppm1 8.774 ppm2 4.333 CV 1
ASSI { 25}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 18 and name HA ))
2.800 1.000 1.000 peak 25 spectrum 1 weight .10000E+01 volume .15478E-02 ppm1 8.774 ppm2 4.460 CV 1
ASSI { 29}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 18 and name HG3 ))
3.000 1.100 1.100 peak 29 spectrum 1 weight .10000E+01 volume .10903E-02 ppm1 8.774 ppm2 2.058 CV 1
ASSI { 30}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 18 and name HB3 ))
2.800 1.000 1.000 peak 30 spectrum 1 weight .10000E+01 volume .14839E-02 ppm1 8.773 ppm2 1.903 CV 1
ASSI { 31}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 17 and name HB3 ))
3.100 1.200 1.200 peak 31 spectrum 1 weight .10000E+01 volume .92697E-03 ppm1 8.773 ppm2 1.507 CV 1
ASSI { 34}
(( segid "A " and resid 18 and name HN ))
( segid "A " and resid 17 and name HD1%)
3.300 1.400 1.400 peak 34 spectrum 1 weight .10000E+01 volume .55815E-03 ppm1 8.774 ppm2 .738 CV 1
ASSI { 35}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 52 and name HN ))
3.500 1.600 1.600 peak 35 spectrum 1 weight .10000E+01 volume .39318E-03 ppm1 7.952 ppm2 8.344 CV 1
ASSI { 37}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 51 and name HN ))
2.800 1.000 1.000 peak 37 spectrum 1 weight .10000E+01 volume .16440E-02 ppm1 7.950 ppm2 7.748 CV 1
ASSI { 40}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 49 and name HA2 ))
2.800 1.000 1.000 peak 40 spectrum 1 weight .10000E+01 volume .15358E-02 ppm1 7.950 ppm2 3.885 CV 1
ASSI { 42}
(( segid "A " and resid 50 and name HN ))
( segid "A " and resid 50 and name HB% )
2.300 .700 .700 peak 42 spectrum 1 weight .10000E+01 volume .46906E-02 ppm1 7.949 ppm2 1.537 CV 1
ASSI { 66}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 2 and name HA ))
2.300 .700 .700 peak 66 spectrum 1 weight .10000E+01 volume .47854E-02 ppm1 8.141 ppm2 4.236 CV 1
ASSI { 67}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 3 and name HA ))
3.000 1.100 1.100 peak 67 spectrum 1 weight .10000E+01 volume .11386E-02 ppm1 8.141 ppm2 3.839 CV 1
ASSI { 68}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 2 and name HB2 ))
3.000 1.100 1.100 peak 68 spectrum 1 weight .10000E+01 volume .11291E-02 ppm1 8.141 ppm2 1.708 CV 1
ASSI { 69}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 2 and name HG3 ))
3.700 1.700 1.700 peak 69 spectrum 1 weight .10000E+01 volume .32066E-03 ppm1 8.141 ppm2 1.408 CV 1
ASSI { 70}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 3 and name HB3 ))
2.900 1.000 1.000 peak 70 spectrum 1 weight .10000E+01 volume .14072E-02 ppm1 8.142 ppm2 1.167 CV 1
ASSI { 71}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 3 and name HB2 ))
3.100 1.200 1.200 peak 71 spectrum 1 weight .10000E+01 volume .93233E-03 ppm1 8.141 ppm2 .887 CV 1
ASSI { 72}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 3 and name HD3 ))
3.000 3.000 3.000 peak 72 spectrum 1 weight .10000E+01 volume .11039E-02 ppm1 8.142 ppm2 .751 CV 1
ASSI { 73}
(( segid "A " and resid 3 and name HN ))
(( segid "A " and resid 3 and name HG2 ))
3.300 1.400 1.400 peak 73 spectrum 1 weight .10000E+01 volume .61633E-03 ppm1 8.142 ppm2 .338 CV 1
ASSI { 77}
(( segid "A " and resid 15 and name HN ))
( segid "A " and resid 13 and name HB% )
3.400 1.400 1.400 peak 77 spectrum 1 weight .10000E+01 volume .51072E-03 ppm1 7.158 ppm2 1.370 CV 1
ASSI { 78}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 14 and name HG12))
3.100 1.200 1.200 peak 78 spectrum 1 weight .10000E+01 volume .88695E-03 ppm1 7.159 ppm2 1.199 CV 1
ASSI { 79}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 14 and name HG13))
3.000 1.100 1.100 peak 79 spectrum 1 weight .10000E+01 volume .11151E-02 ppm1 7.159 ppm2 1.045 CV 1
ASSI { 80}
(( segid "A " and resid 15 and name HN ))
( segid "A " and resid 14 and name HD1%)
3.100 1.200 1.200 peak 80 spectrum 1 weight .10000E+01 volume .84198E-03 ppm1 7.159 ppm2 .712 CV 1
ASSI { 81}
(( segid "A " and resid 15 and name HN ))
( segid "A " and resid 14 and name HG2%)
3.200 1.300 1.300 peak 81 spectrum 1 weight .10000E+01 volume .77226E-03 ppm1 7.160 ppm2 .260 CV 1
ASSI { 82}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 15 and name HG2 ))
2.600 2.600 3.400 peak 82 spectrum 1 weight .10000E+01 volume .26584E-02 ppm1 7.159 ppm2 2.481 CV 1
ASSI { 83}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 15 and name HB2 ))
2.300 .600 .600 peak 83 spectrum 1 weight .10000E+01 volume .56394E-02 ppm1 7.159 ppm2 2.089 CV 1
ASSI { 84}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 14 and name HB ))
3.300 1.400 1.400 peak 84 spectrum 1 weight .10000E+01 volume .57714E-03 ppm1 7.158 ppm2 1.903 CV 1
ASSI { 87}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 14 and name HN ))
2.600 .800 .800 peak 87 spectrum 1 weight .10000E+01 volume .25024E-02 ppm1 7.159 ppm2 7.308 CV 1
ASSI { 88}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 16 and name HN ))
3.500 1.600 1.600 peak 88 spectrum 1 weight .10000E+01 volume .39967E-03 ppm1 7.162 ppm2 8.928 CV 1
ASSI { 92}
(( segid "A " and resid 37 and name HN ))
(( segid "A " and resid 36 and name HA ))
2.800 1.000 1.000 peak 92 spectrum 1 weight .10000E+01 volume .17132E-02 ppm1 8.305 ppm2 3.964 CV 1
ASSI { 100}
(( segid "A " and resid 67 and name HN ))
(( segid "A " and resid 66 and name HN ))
3.000 1.100 1.100 peak 100 spectrum 1 weight .10000E+01 volume .10408E-02 ppm1 7.719 ppm2 7.491 CV 1
ASSI { 101}
(( segid "A " and resid 67 and name HN ))
(( segid "A " and resid 66 and name HA ))
2.500 .800 .800 peak 101 spectrum 1 weight .10000E+01 volume .32763E-02 ppm1 7.719 ppm2 4.546 CV 1
ASSI { 102}
(( segid "A " and resid 67 and name HN ))
(( segid "A " and resid 64 and name HA ))
3.700 1.700 1.700 peak 102 spectrum 1 weight .10000E+01 volume .31468E-03 ppm1 7.720 ppm2 4.333 CV 1
ASSI { 107}
(( segid "A " and resid 67 and name HN ))
(( segid "A " and resid 66 and name HB3 ))
3.400 1.500 1.500 peak 107 spectrum 1 weight .10000E+01 volume .49298E-03 ppm1 7.718 ppm2 2.426 CV 1
ASSI { 108}
(( segid "A " and resid 67 and name HN ))
(( segid "A " and resid 66 and name HB2 ))
3.500 1.500 1.500 peak 108 spectrum 1 weight .10000E+01 volume .41872E-03 ppm1 7.716 ppm2 2.010 CV 1
ASSI { 111}
(( segid "A " and resid 67 and name HN ))
(( segid "A " and resid 65 and name HA ))
3.900 1.900 1.900 peak 111 spectrum 1 weight .10000E+01 volume .21303E-03 ppm1 7.716 ppm2 4.121 CV 1
ASSI { 112}
(( segid "A " and resid 67 and name HN ))
(( segid "A " and resid 67 and name HA ))
3.000 1.100 1.100 peak 112 spectrum 1 weight .10000E+01 volume .10305E-02 ppm1 7.716 ppm2 4.463 CV 1
ASSI { 114}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 13 and name HN ))
2.900 1.000 1.000 peak 114 spectrum 1 weight .10000E+01 volume .14291E-02 ppm1 7.294 ppm2 8.106 CV 1
ASSI { 117}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 14 and name HA ))
2.900 1.000 1.000 peak 117 spectrum 1 weight .10000E+01 volume .14558E-02 ppm1 7.295 ppm2 4.059 CV 1
ASSI { 120}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 12 and name HB2 ))
3.400 3.400 2.600 peak 120 spectrum 1 weight .10000E+01 volume .48349E-03 ppm1 7.295 ppm2 2.107 CV 1
ASSI { 121}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 14 and name HB ))
3.100 1.200 1.200 peak 121 spectrum 1 weight .10000E+01 volume .90098E-03 ppm1 7.295 ppm2 1.902 CV 1
ASSI { 122}
(( segid "A " and resid 14 and name HN ))
( segid "A " and resid 13 and name HB% )
2.700 .900 .900 peak 122 spectrum 1 weight .10000E+01 volume .18961E-02 ppm1 7.294 ppm2 1.368 CV 1
ASSI { 123}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 14 and name HG12))
2.700 .900 .900 peak 123 spectrum 1 weight .10000E+01 volume .22252E-02 ppm1 7.294 ppm2 1.199 CV 1
ASSI { 124}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 14 and name HG13))
2.700 .900 .900 peak 124 spectrum 1 weight .10000E+01 volume .18469E-02 ppm1 7.295 ppm2 1.045 CV 1
ASSI { 125}
(( segid "A " and resid 14 and name HN ))
( segid "A " and resid 14 and name HD1%)
2.800 1.000 1.000 peak 125 spectrum 1 weight .10000E+01 volume .15511E-02 ppm1 7.294 ppm2 .711 CV 1
ASSI { 126}
(( segid "A " and resid 14 and name HN ))
( segid "A " and resid 14 and name HG2%)
2.600 .800 .800 peak 126 spectrum 1 weight .10000E+01 volume .25652E-02 ppm1 7.294 ppm2 .260 CV 1
ASSI { 127}
(( segid "A " and resid 34 and name HN ))
(( segid "A " and resid 32 and name HN ))
3.300 1.400 1.400 peak 127 spectrum 1 weight .10000E+01 volume .57013E-03 ppm1 6.872 ppm2 8.101 CV 1
ASSI { 128}
(( segid "A " and resid 34 and name HN ))
(( segid "A " and resid 32 and name HA ))
3.600 1.600 1.600 peak 128 spectrum 1 weight .10000E+01 volume .35978E-03 ppm1 6.872 ppm2 4.732 CV 1
ASSI { 129}
(( segid "A " and resid 34 and name HN ))
(( segid "A " and resid 33 and name HA ))
3.100 1.200 1.200 peak 129 spectrum 1 weight .10000E+01 volume .89437E-03 ppm1 6.873 ppm2 4.619 CV 1
ASSI { 133}
(( segid "A " and resid 34 and name HN ))
(( segid "A " and resid 35 and name HA ))
3.200 3.200 2.800 peak 133 spectrum 1 weight .10000E+01 volume .78959E-03 ppm1 6.873 ppm2 4.416 CV 1
ASSI { 135}
(( segid "A " and resid 34 and name HN ))
(( segid "A " and resid 33 and name HN ))
2.900 1.000 1.000 peak 135 spectrum 1 weight .10000E+01 volume .13284E-02 ppm1 6.873 ppm2 7.633 CV 1
ASSI { 136}
(( segid "A " and resid 34 and name HN ))
(( segid "A " and resid 35 and name HN ))
2.700 .900 .900 peak 136 spectrum 1 weight .10000E+01 volume .18754E-02 ppm1 6.873 ppm2 8.579 CV 1
ASSI { 137}
(( segid "A " and resid 34 and name HN ))
(( segid "A " and resid 33 and name HB2 ))
3.200 1.300 1.300 peak 137 spectrum 1 weight .10000E+01 volume .68769E-03 ppm1 6.873 ppm2 3.332 CV 1
ASSI { 138}
(( segid "A " and resid 34 and name HN ))
(( segid "A " and resid 33 and name HB3 ))
3.400 1.400 1.400 peak 138 spectrum 1 weight .10000E+01 volume .54619E-03 ppm1 6.871 ppm2 2.797 CV 1
ASSI { 141}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 29 and name HA1 ))
2.700 .900 .900 peak 141 spectrum 1 weight .10000E+01 volume .21802E-02 ppm1 7.858 ppm2 3.830 CV 1
ASSI { 142}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 28 and name HB3 ))
2.900 1.000 1.000 peak 142 spectrum 1 weight .10000E+01 volume .14039E-02 ppm1 7.858 ppm2 1.522 CV 1
ASSI { 145}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 29 and name HA2 ))
2.700 .900 .900 peak 145 spectrum 1 weight .10000E+01 volume .21032E-02 ppm1 7.857 ppm2 3.999 CV 1
ASSI { 146}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 28 and name HA ))
3.300 1.400 1.400 peak 146 spectrum 1 weight .10000E+01 volume .61756E-03 ppm1 7.858 ppm2 2.881 CV 1
ASSI { 147}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 26 and name HA ))
3.600 1.700 1.700 peak 147 spectrum 1 weight .10000E+01 volume .33378E-03 ppm1 7.856 ppm2 2.695 CV 1
ASSI { 151}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 46 and name HA ))
2.500 .800 .800 peak 151 spectrum 1 weight .10000E+01 volume .33349E-02 ppm1 7.966 ppm2 4.787 CV 1
ASSI { 152}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 47 and name HA ))
2.900 1.100 1.100 peak 152 spectrum 1 weight .10000E+01 volume .13127E-02 ppm1 7.967 ppm2 4.404 CV 1
ASSI { 154}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 46 and name HB3 ))
2.700 .900 .900 peak 154 spectrum 1 weight .10000E+01 volume .18349E-02 ppm1 7.966 ppm2 1.638 CV 1
ASSI { 156}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 46 and name HB2 ))
2.400 2.400 3.600 peak 156 spectrum 1 weight .10000E+01 volume .41625E-02 ppm1 7.966 ppm2 1.376 CV 1
ASSI { 161}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 19 and name HN ))
3.100 1.200 1.200 peak 161 spectrum 1 weight .10000E+01 volume .89314E-03 ppm1 8.498 ppm2 7.583 CV 1
ASSI { 165}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 46 and name HA ))
3.500 1.500 1.500 peak 165 spectrum 1 weight .10000E+01 volume .41707E-03 ppm1 7.612 ppm2 4.781 CV 1
ASSI { 166}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 19 and name HA ))
2.400 .700 .700 peak 166 spectrum 1 weight .10000E+01 volume .41914E-02 ppm1 8.497 ppm2 4.605 CV 1
ASSI { 167}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 18 and name HA ))
3.600 3.600 2.400 peak 167 spectrum 1 weight .10000E+01 volume .37743E-03 ppm1 8.497 ppm2 4.464 CV 1
ASSI { 168}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 20 and name HA2 ))
2.700 .900 .900 peak 168 spectrum 1 weight .10000E+01 volume .21753E-02 ppm1 8.497 ppm2 4.222 CV 1
ASSI { 169}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 20 and name HA1 ))
2.600 .800 .800 peak 169 spectrum 1 weight .10000E+01 volume .25198E-02 ppm1 8.497 ppm2 4.037 CV 1
ASSI { 170}
(( segid "A " and resid 20 and name HN ))
(( segid "A " and resid 19 and name HB ))
2.700 .900 .900 peak 170 spectrum 1 weight .10000E+01 volume .20656E-02 ppm1 8.498 ppm2 2.170 CV 1
ASSI { 172}
(( segid "A " and resid 20 and name HN ))
( segid "A " and resid 19 and name HG1%)
2.900 1.000 1.000 peak 172 spectrum 1 weight .10000E+01 volume .13404E-02 ppm1 8.499 ppm2 .880 CV 1
ASSI { 174}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 43 and name HN ))
3.700 1.700 1.700 peak 174 spectrum 1 weight .10000E+01 volume .32059E-03 ppm1 7.613 ppm2 8.172 CV 1
ASSI { 177}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 44 and name HA ))
3.000 1.100 1.100 peak 177 spectrum 1 weight .10000E+01 volume .10912E-02 ppm1 7.612 ppm2 4.529 CV 1
ASSI { 179}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 45 and name HA1 ))
2.200 .600 .600 peak 179 spectrum 1 weight .10000E+01 volume .70420E-02 ppm1 7.613 ppm2 3.945 CV 1
ASSI { 180}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 44 and name HB3 ))
3.100 1.200 1.200 peak 180 spectrum 1 weight .10000E+01 volume .80815E-03 ppm1 7.613 ppm2 1.824 CV 1
ASSI { 181}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 44 and name HB2 ))
3.000 1.100 1.100 peak 181 spectrum 1 weight .10000E+01 volume .10157E-02 ppm1 7.612 ppm2 1.513 CV 1
ASSI { 182}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 46 and name HB2 ))
3.400 1.500 1.500 peak 182 spectrum 1 weight .10000E+01 volume .48556E-03 ppm1 7.614 ppm2 1.428 CV 1
ASSI { 184}
(( segid "A " and resid 45 and name HN ))
( segid "A " and resid 46 and name HD1%)
3.700 1.700 1.700 peak 184 spectrum 1 weight .10000E+01 volume .32652E-03 ppm1 7.614 ppm2 .733 CV 1
ASSI { 187}
(( segid "A " and resid 39 and name HN ))
(( segid "A " and resid 38 and name HN ))
3.200 1.300 1.300 peak 187 spectrum 1 weight .10000E+01 volume .77803E-03 ppm1 7.324 ppm2 8.947 CV 1
ASSI { 188}
(( segid "A " and resid 39 and name HN ))
(( segid "A " and resid 41 and name HN ))
3.500 1.500 1.500 peak 188 spectrum 1 weight .10000E+01 volume .45090E-03 ppm1 7.323 ppm2 7.635 CV 1
ASSI { 193}
(( segid "A " and resid 39 and name HN ))
(( segid "A " and resid 38 and name HA ))
3.100 1.200 1.200 peak 193 spectrum 1 weight .10000E+01 volume .94347E-03 ppm1 7.325 ppm2 4.064 CV 1
ASSI { 194}
(( segid "A " and resid 39 and name HN ))
(( segid "A " and resid 39 and name HA ))
2.600 .800 .800 peak 194 spectrum 1 weight .10000E+01 volume .27590E-02 ppm1 7.324 ppm2 3.985 CV 1
ASSI { 195}
(( segid "A " and resid 39 and name HN ))
(( segid "A " and resid 39 and name HB ))
2.600 .800 .800 peak 195 spectrum 1 weight .10000E+01 volume .27116E-02 ppm1 7.324 ppm2 3.912 CV 1
ASSI { 196}
(( segid "A " and resid 39 and name HN ))
(( segid "A " and resid 40 and name HB3 ))
3.500 3.500 2.500 peak 196 spectrum 1 weight .10000E+01 volume .40746E-03 ppm1 7.324 ppm2 2.990 CV 1
ASSI { 201}
(( segid "A " and resid 39 and name HN ))
( segid "A " and resid 38 and name HB% )
2.600 .900 .900 peak 201 spectrum 1 weight .10000E+01 volume .23774E-02 ppm1 7.324 ppm2 1.470 CV 1
ASSI { 235}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 5 and name HA ))
2.600 .900 .900 peak 235 spectrum 1 weight .10000E+01 volume .23734E-02 ppm1 8.628 ppm2 4.830 CV 1
ASSI { 237}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 9 and name HA ))
3.600 3.600 2.400 peak 237 spectrum 1 weight .10000E+01 volume .34863E-03 ppm1 8.629 ppm2 4.147 CV 1
ASSI { 244}
(( segid "A " and resid 6 and name HN ))
( segid "A " and resid 5 and name HD2%)
3.600 1.600 1.600 peak 244 spectrum 1 weight .10000E+01 volume .35606E-03 ppm1 8.630 ppm2 .620 CV 1
ASSI { 245}
(( segid "A " and resid 6 and name HN ))
( segid "A " and resid 5 and name HD1%)
3.000 1.200 1.200 peak 245 spectrum 1 weight .10000E+01 volume .97647E-03 ppm1 8.627 ppm2 .026 CV 1
ASSI { 249}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 41 and name HN ))
2.600 .800 .800 peak 249 spectrum 1 weight .10000E+01 volume .26897E-02 ppm1 7.812 ppm2 7.635 CV 1
ASSI { 258}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 40 and name HA ))
3.600 1.600 1.600 peak 258 spectrum 1 weight .10000E+01 volume .36753E-03 ppm1 7.811 ppm2 4.298 CV 1
ASSI { 259}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 42 and name HB ))
2.400 .700 .700 peak 259 spectrum 1 weight .10000E+01 volume .40787E-02 ppm1 7.812 ppm2 4.174 CV 1
ASSI { 260}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 42 and name HA ))
2.400 .700 .700 peak 260 spectrum 1 weight .10000E+01 volume .38539E-02 ppm1 7.812 ppm2 4.059 CV 1
ASSI { 261}
(( segid "A " and resid 42 and name HN ))
(( segid "A " and resid 41 and name HA ))
2.800 1.000 1.000 peak 261 spectrum 1 weight .10000E+01 volume .16427E-02 ppm1 7.812 ppm2 3.962 CV 1
ASSI { 264}
(( segid "A " and resid 42 and name HN ))
( segid "A " and resid 41 and name HB% )
2.400 .700 .700 peak 264 spectrum 1 weight .10000E+01 volume .44388E-02 ppm1 7.812 ppm2 1.445 CV 1
ASSI { 330}
(( segid "A " and resid 70 and name HN ))
(( segid "A " and resid 69 and name HN ))
3.500 1.500 1.500 peak 330 spectrum 1 weight .10000E+01 volume .45338E-03 ppm1 8.953 ppm2 8.444 CV 1
ASSI { 331}
(( segid "A " and resid 70 and name HN ))
(( segid "A " and resid 71 and name HN ))
2.900 1.000 1.000 peak 331 spectrum 1 weight .10000E+01 volume .13976E-02 ppm1 8.954 ppm2 8.000 CV 1
ASSI { 341}
(( segid "A " and resid 70 and name HN ))
(( segid "A " and resid 69 and name HA ))
2.400 .700 .700 peak 341 spectrum 1 weight .10000E+01 volume .40585E-02 ppm1 8.954 ppm2 4.109 CV 1
ASSI { 344}
(( segid "A " and resid 70 and name HN ))
(( segid "A " and resid 69 and name HB3 ))
3.100 1.200 1.200 peak 344 spectrum 1 weight .10000E+01 volume .81971E-03 ppm1 8.955 ppm2 2.031 CV 1
OR { 344}
(( segid "A " and resid 70 and name HN ))
(( segid "A " and resid 69 and name HB2 ))
ASSI { 396}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 7 and name HN ))
2.900 1.000 1.000 peak 396 spectrum 1 weight .10000E+01 volume .13903E-02 ppm1 8.416 ppm2 9.170 CV 1
ASSI { 398}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 9 and name HN ))
3.000 1.100 1.100 peak 398 spectrum 1 weight .10000E+01 volume .11452E-02 ppm1 8.417 ppm2 7.698 CV 1
ASSI { 399}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 6 and name HB ))
2.700 .900 .900 peak 399 spectrum 1 weight .10000E+01 volume .20437E-02 ppm1 8.417 ppm2 4.765 CV 1
ASSI { 401}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 8 and name HA ))
2.600 .900 .900 peak 401 spectrum 1 weight .10000E+01 volume .24146E-02 ppm1 8.416 ppm2 4.241 CV 1
ASSI { 402}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 7 and name HA ))
3.100 1.200 1.200 peak 402 spectrum 1 weight .10000E+01 volume .90552E-03 ppm1 8.416 ppm2 4.042 CV 1
ASSI { 403}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 8 and name HB3 ))
2.400 2.400 3.600 peak 403 spectrum 1 weight .10000E+01 volume .39356E-02 ppm1 8.416 ppm2 3.887 CV 1
ASSI { 406}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 7 and name HB3 ))
2.800 1.000 1.000 peak 406 spectrum 1 weight .10000E+01 volume .15437E-02 ppm1 8.416 ppm2 2.161 CV 1
ASSI { 407}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 7 and name HB2 ))
2.800 2.800 3.200 peak 407 spectrum 1 weight .10000E+01 volume .17772E-02 ppm1 8.416 ppm2 2.007 CV 1
ASSI { 416}
(( segid "A " and resid 83 and name HN ))
(( segid "A " and resid 82 and name HN ))
3.000 1.100 1.100 peak 416 spectrum 1 weight .10000E+01 volume .10883E-02 ppm1 7.977 ppm2 6.542 CV 1
ASSI { 417}
(( segid "A " and resid 83 and name HN ))
(( segid "A " and resid 83 and name HA ))
2.800 1.000 1.000 peak 417 spectrum 1 weight .10000E+01 volume .14798E-02 ppm1 7.977 ppm2 3.711 CV 1
ASSI { 420}
(( segid "A " and resid 83 and name HN ))
( segid "A " and resid 83 and name HB% )
2.600 .800 .800 peak 420 spectrum 1 weight .10000E+01 volume .24909E-02 ppm1 7.976 ppm2 1.225 CV 1
ASSI { 423}
(( segid "A " and resid 83 and name HN ))
( segid "A " and resid 86 and name HG2%)
3.100 1.200 1.200 peak 423 spectrum 1 weight .10000E+01 volume .85148E-03 ppm1 7.977 ppm2 .861 CV 1
ASSI { 425}
(( segid "A " and resid 77 and name HN ))
(( segid "A " and resid 76 and name HA ))
2.500 .800 .800 peak 425 spectrum 1 weight .10000E+01 volume .30028E-02 ppm1 8.705 ppm2 4.878 CV 1
ASSI { 426}
(( segid "A " and resid 77 and name HN ))
(( segid "A " and resid 77 and name HA ))
3.400 1.400 1.400 peak 426 spectrum 1 weight .10000E+01 volume .50206E-03 ppm1 8.705 ppm2 4.679 CV 1
ASSI { 429}
(( segid "A " and resid 77 and name HN ))
(( segid "A " and resid 77 and name HB ))
2.700 .900 .900 peak 429 spectrum 1 weight .10000E+01 volume .18956E-02 ppm1 8.705 ppm2 2.043 CV 1
ASSI { 430}
(( segid "A " and resid 77 and name HN ))
( segid "A " and resid 76 and name HB% )
2.700 .900 .900 peak 430 spectrum 1 weight .10000E+01 volume .22017E-02 ppm1 8.704 ppm2 1.093 CV 1
ASSI { 431}
(( segid "A " and resid 77 and name HN ))
( segid "A " and resid 77 and name HG1%)
2.600 2.600 3.400 peak 431 spectrum 1 weight .10000E+01 volume .22682E-02 ppm1 8.704 ppm2 .900 CV 1
ASSI { 432}
(( segid "A " and resid 91 and name HN ))
(( segid "A " and resid 90 and name HN ))
2.900 1.000 1.000 peak 432 spectrum 1 weight .10000E+01 volume .13536E-02 ppm1 7.858 ppm2 8.901 CV 1
ASSI { 433}
(( segid "A " and resid 91 and name HN ))
(( segid "A " and resid 92 and name HN ))
2.900 1.000 1.000 peak 433 spectrum 1 weight .10000E+01 volume .14294E-02 ppm1 7.859 ppm2 8.826 CV 1
ASSI { 434}
(( segid "A " and resid 91 and name HN ))
(( segid "A " and resid 93 and name HN ))
3.400 1.400 1.400 peak 434 spectrum 1 weight .10000E+01 volume .50865E-03 ppm1 7.858 ppm2 8.052 CV 1
ASSI { 438}
(( segid "A " and resid 91 and name HN ))
(( segid "A " and resid 91 and name HA ))
2.700 .900 .900 peak 438 spectrum 1 weight .10000E+01 volume .22108E-02 ppm1 7.858 ppm2 4.216 CV 1
ASSI { 449}
(( segid "A " and resid 9 and name HN ))
( segid "A " and resid 5 and name HD1%)
3.700 1.700 1.700 peak 449 spectrum 1 weight .10000E+01 volume .29191E-03 ppm1 7.685 ppm2 .028 CV 1
ASSI { 450}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 6 and name HB ))
3.100 1.200 1.200 peak 450 spectrum 1 weight .10000E+01 volume .91129E-03 ppm1 7.682 ppm2 4.774 CV 1
ASSI { 451}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 8 and name HA ))
3.300 1.400 1.400 peak 451 spectrum 1 weight .10000E+01 volume .61963E-03 ppm1 7.680 ppm2 4.241 CV 1
ASSI { 452}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 9 and name HA ))
2.900 1.000 1.000 peak 452 spectrum 1 weight .10000E+01 volume .13461E-02 ppm1 7.682 ppm2 4.149 CV 1
ASSI { 453}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 8 and name HB3 ))
3.000 1.100 1.100 peak 453 spectrum 1 weight .10000E+01 volume .10895E-02 ppm1 7.682 ppm2 3.887 CV 1
ASSI { 455}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 10 and name HN ))
3.000 1.200 1.200 peak 455 spectrum 1 weight .10000E+01 volume .98885E-03 ppm1 7.682 ppm2 8.825 CV 1
ASSI { 456}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 6 and name HN ))
3.500 1.600 1.600 peak 456 spectrum 1 weight .10000E+01 volume .40977E-03 ppm1 7.686 ppm2 8.641 CV 1
ASSI { 474}
(( segid "A " and resid 35 and name HN ))
(( segid "A " and resid 33 and name HB3 ))
3.600 1.600 1.600 peak 474 spectrum 1 weight .10000E+01 volume .35680E-03 ppm1 8.566 ppm2 2.798 CV 1
ASSI { 475}
(( segid "A " and resid 35 and name HN ))
(( segid "A " and resid 35 and name HA ))
2.600 .800 .800 peak 475 spectrum 1 weight .10000E+01 volume .27582E-02 ppm1 8.565 ppm2 4.421 CV 1
ASSI { 486}
(( segid "A " and resid 73 and name HN ))
(( segid "A " and resid 73 and name HB2 ))
3.000 1.100 1.100 peak 486 spectrum 1 weight .10000E+01 volume .11134E-02 ppm1 8.641 ppm2 1.580 CV 1
ASSI { 488}
(( segid "A " and resid 73 and name HN ))
( segid "A " and resid 72 and name HB% )
2.500 .800 .800 peak 488 spectrum 1 weight .10000E+01 volume .28646E-02 ppm1 8.640 ppm2 1.178 CV 1
ASSI { 489}
(( segid "A " and resid 73 and name HN ))
( segid "A " and resid 74 and name HG1%)
2.700 2.700 3.300 peak 489 spectrum 1 weight .10000E+01 volume .21221E-02 ppm1 8.641 ppm2 .860 CV 1
ASSI { 490}
(( segid "A " and resid 73 and name HN ))
(( segid "A " and resid 73 and name HA ))
3.200 1.300 1.300 peak 490 spectrum 1 weight .10000E+01 volume .68068E-03 ppm1 8.640 ppm2 5.003 CV 1
ASSI { 491}
(( segid "A " and resid 73 and name HN ))
(( segid "A " and resid 72 and name HA ))
2.400 .700 .700 peak 491 spectrum 1 weight .10000E+01 volume .41954E-02 ppm1 8.641 ppm2 4.615 CV 1
ASSI { 492}
(( segid "A " and resid 73 and name HN ))
(( segid "A " and resid 74 and name HN ))
3.700 1.700 1.700 peak 492 spectrum 1 weight .10000E+01 volume .31605E-03 ppm1 8.641 ppm2 9.224 CV 1
ASSI { 504}
(( segid "A " and resid 93 and name HN ))
(( segid "A " and resid 92 and name HN ))
2.800 1.000 1.000 peak 504 spectrum 1 weight .10000E+01 volume .15325E-02 ppm1 8.025 ppm2 8.826 CV 1
ASSI { 506}
(( segid "A " and resid 93 and name HN ))
(( segid "A " and resid 92 and name HA ))
3.000 1.100 1.100 peak 506 spectrum 1 weight .10000E+01 volume .11819E-02 ppm1 8.025 ppm2 4.480 CV 1
ASSI { 507}
(( segid "A " and resid 93 and name HN ))
(( segid "A " and resid 93 and name HA ))
2.600 .900 .900 peak 507 spectrum 1 weight .10000E+01 volume .24483E-02 ppm1 8.025 ppm2 4.351 CV 1
ASSI { 517}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 3 and name HB3 ))
3.300 1.400 1.400 peak 517 spectrum 1 weight .10000E+01 volume .57095E-03 ppm1 7.824 ppm2 1.170 CV 1
ASSI { 518}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 3 and name HB2 ))
3.100 1.200 1.200 peak 518 spectrum 1 weight .10000E+01 volume .82920E-03 ppm1 7.822 ppm2 .882 CV 1
ASSI { 519}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 3 and name HG2 ))
3.500 1.600 1.600 peak 519 spectrum 1 weight .10000E+01 volume .39897E-03 ppm1 7.823 ppm2 .341 CV 1
ASSI { 520}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 4 and name HB3 ))
3.000 1.100 1.100 peak 520 spectrum 1 weight .10000E+01 volume .11444E-02 ppm1 7.824 ppm2 1.867 CV 1
ASSI { 521}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 4 and name HB2 ))
2.800 .900 .900 peak 521 spectrum 1 weight .10000E+01 volume .18069E-02 ppm1 7.824 ppm2 1.620 CV 1
ASSI { 522}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 4 and name HG2 ))
3.100 1.200 1.200 peak 522 spectrum 1 weight .10000E+01 volume .81310E-03 ppm1 7.823 ppm2 1.399 CV 1
ASSI { 523}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 4 and name HA ))
2.900 1.000 1.000 peak 523 spectrum 1 weight .10000E+01 volume .13498E-02 ppm1 7.823 ppm2 5.046 CV 1
ASSI { 525}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 3 and name HA ))
2.200 .600 .600 peak 525 spectrum 1 weight .10000E+01 volume .69513E-02 ppm1 7.824 ppm2 3.839 CV 1
ASSI { 528}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 4 and name HE ))
3.200 3.200 2.800 peak 528 spectrum 1 weight .10000E+01 volume .78671E-03 ppm1 7.824 ppm2 6.745 CV 1
ASSI { 531}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 3 and name HD3 ))
3.500 1.600 1.600 peak 531 spectrum 1 weight .10000E+01 volume .39603E-03 ppm1 7.822 ppm2 .753 CV 1
ASSI { 534}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 6 and name HB ))
2.600 .800 .800 peak 534 spectrum 1 weight .10000E+01 volume .26279E-02 ppm1 9.154 ppm2 4.755 CV 1
ASSI { 536}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 7 and name HA ))
2.800 1.000 1.000 peak 536 spectrum 1 weight .10000E+01 volume .15788E-02 ppm1 9.154 ppm2 4.043 CV 1
ASSI { 537}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 7 and name HG3 ))
3.300 1.400 1.400 peak 537 spectrum 1 weight .10000E+01 volume .60725E-03 ppm1 9.156 ppm2 2.370 CV 1
OR { 537}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 7 and name HG2 ))
ASSI { 538}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 7 and name HG3 ))
3.200 1.300 1.300 peak 538 spectrum 1 weight .10000E+01 volume .72029E-03 ppm1 9.154 ppm2 2.283 CV 1
ASSI { 539}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 7 and name HB3 ))
2.700 .900 .900 peak 539 spectrum 1 weight .10000E+01 volume .22025E-02 ppm1 9.155 ppm2 2.159 CV 1
ASSI { 540}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 7 and name HB2 ))
2.700 .900 .900 peak 540 spectrum 1 weight .10000E+01 volume .19777E-02 ppm1 9.154 ppm2 2.007 CV 1
ASSI { 541}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 6 and name HG1 ))
2.800 2.800 3.200 peak 541 spectrum 1 weight .10000E+01 volume .14835E-02 ppm1 9.155 ppm2 1.291 CV 1
ASSI { 543}
(( segid "A " and resid 13 and name HN ))
( segid "A " and resid 13 and name HB% )
2.300 .700 .700 peak 543 spectrum 1 weight .10000E+01 volume .53712E-02 ppm1 8.092 ppm2 1.369 CV 1
ASSI { 546}
(( segid "A " and resid 13 and name HN ))
( segid "A " and resid 14 and name HG2%)
3.500 1.500 1.500 peak 546 spectrum 1 weight .10000E+01 volume .43481E-03 ppm1 8.092 ppm2 .260 CV 1
ASSI { 548}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 12 and name HB3 ))
2.600 .800 .800 peak 548 spectrum 1 weight .10000E+01 volume .25622E-02 ppm1 8.092 ppm2 2.216 CV 1
ASSI { 549}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 12 and name HB2 ))
2.700 .900 .900 peak 549 spectrum 1 weight .10000E+01 volume .20037E-02 ppm1 8.091 ppm2 2.112 CV 1
ASSI { 551}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 9 and name HA ))
3.500 1.500 1.500 peak 551 spectrum 1 weight .10000E+01 volume .42862E-03 ppm1 8.092 ppm2 4.150 CV 1
ASSI { 552}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 12 and name HA ))
2.900 1.100 1.100 peak 552 spectrum 1 weight .10000E+01 volume .12714E-02 ppm1 8.092 ppm2 4.027 CV 1
ASSI { 553}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 13 and name HA ))
2.600 .800 .800 peak 553 spectrum 1 weight .10000E+01 volume .26815E-02 ppm1 8.092 ppm2 3.859 CV 1
ASSI { 554}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 10 and name HA ))
3.100 1.200 1.200 peak 554 spectrum 1 weight .10000E+01 volume .84445E-03 ppm1 8.092 ppm2 3.734 CV 1
ASSI { 555}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 12 and name HN ))
2.600 .800 .800 peak 555 spectrum 1 weight .10000E+01 volume .25123E-02 ppm1 8.092 ppm2 7.611 CV 1
ASSI { 557}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 15 and name HN ))
3.600 1.600 1.600 peak 557 spectrum 1 weight .10000E+01 volume .36872E-03 ppm1 8.092 ppm2 7.168 CV 1
ASSI { 559}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 11 and name HN ))
3.700 1.700 1.700 peak 559 spectrum 1 weight .10000E+01 volume .31468E-03 ppm1 8.090 ppm2 8.437 CV 1
ASSI { 566}
(( segid "A " and resid 41 and name HN ))
( segid "A " and resid 41 and name HB% )
2.300 .700 .700 peak 566 spectrum 1 weight .10000E+01 volume .53299E-02 ppm1 7.619 ppm2 1.445 CV 1
ASSI { 570}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 40 and name HB2 ))
2.800 1.000 1.000 peak 570 spectrum 1 weight .10000E+01 volume .15722E-02 ppm1 7.619 ppm2 2.993 CV 1
ASSI { 571}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 42 and name HA ))
2.900 2.900 3.100 peak 571 spectrum 1 weight .10000E+01 volume .13973E-02 ppm1 7.619 ppm2 4.064 CV 1
ASSI { 572}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 41 and name HA ))
2.700 .900 .900 peak 572 spectrum 1 weight .10000E+01 volume .20602E-02 ppm1 7.620 ppm2 3.950 CV 1
ASSI { 573}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 40 and name HA ))
3.200 1.300 1.300 peak 573 spectrum 1 weight .10000E+01 volume .74628E-03 ppm1 7.617 ppm2 4.297 CV 1
ASSI { 574}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 16 and name HN ))
2.800 1.000 1.000 peak 574 spectrum 1 weight .10000E+01 volume .14673E-02 ppm1 7.549 ppm2 8.929 CV 1
ASSI { 575}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 18 and name HN ))
3.300 1.400 1.400 peak 575 spectrum 1 weight .10000E+01 volume .61096E-03 ppm1 7.549 ppm2 8.792 CV 1
ASSI { 578}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 17 and name HA ))
2.600 .800 .800 peak 578 spectrum 1 weight .10000E+01 volume .25267E-02 ppm1 7.549 ppm2 4.333 CV 1
ASSI { 579}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 16 and name HA2 ))
2.600 .800 .800 peak 579 spectrum 1 weight .10000E+01 volume .26258E-02 ppm1 7.549 ppm2 4.032 CV 1
ASSI { 580}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 16 and name HA1 ))
3.000 1.100 1.100 peak 580 spectrum 1 weight .10000E+01 volume .11592E-02 ppm1 7.550 ppm2 3.803 CV 1
ASSI { 581}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 15 and name HB2 ))
3.700 1.700 1.700 peak 581 spectrum 1 weight .10000E+01 volume .32611E-03 ppm1 7.550 ppm2 2.084 CV 1
ASSI { 582}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 14 and name HB ))
3.600 1.600 1.600 peak 582 spectrum 1 weight .10000E+01 volume .35602E-03 ppm1 7.547 ppm2 1.901 CV 1
ASSI { 583}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 17 and name HB2 ))
2.500 .800 .800 peak 583 spectrum 1 weight .10000E+01 volume .32525E-02 ppm1 7.549 ppm2 1.568 CV 1
ASSI { 584}
(( segid "A " and resid 17 and name HN ))
(( segid "A " and resid 17 and name HB3 ))
2.300 2.300 3.700 peak 584 spectrum 1 weight .10000E+01 volume .54042E-02 ppm1 7.549 ppm2 1.504 CV 1
ASSI { 585}
(( segid "A " and resid 17 and name HN ))
( segid "A " and resid 17 and name HD2%)
2.800 1.000 1.000 peak 585 spectrum 1 weight .10000E+01 volume .16485E-02 ppm1 7.549 ppm2 .799 CV 1
ASSI { 586}
(( segid "A " and resid 17 and name HN ))
( segid "A " and resid 17 and name HD1%)
2.800 1.000 1.000 peak 586 spectrum 1 weight .10000E+01 volume .14909E-02 ppm1 7.549 ppm2 .735 CV 1
ASSI { 587}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 42 and name HN ))
3.600 1.600 1.600 peak 587 spectrum 1 weight .10000E+01 volume .37680E-03 ppm1 7.385 ppm2 7.831 CV 1
ASSI { 588}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 41 and name HN ))
2.600 .800 .800 peak 588 spectrum 1 weight .10000E+01 volume .25676E-02 ppm1 7.385 ppm2 7.635 CV 1
ASSI { 592}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 40 and name HA ))
2.800 .900 .900 peak 592 spectrum 1 weight .10000E+01 volume .18069E-02 ppm1 7.385 ppm2 4.296 CV 1
ASSI { 593}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 38 and name HA ))
3.400 1.400 1.400 peak 593 spectrum 1 weight .10000E+01 volume .54042E-03 ppm1 7.385 ppm2 4.062 CV 1
ASSI { 594}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 39 and name HA ))
3.000 1.100 1.100 peak 594 spectrum 1 weight .10000E+01 volume .11167E-02 ppm1 7.385 ppm2 3.973 CV 1
ASSI { 595}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 39 and name HB ))
2.800 1.000 1.000 peak 595 spectrum 1 weight .10000E+01 volume .16394E-02 ppm1 7.386 ppm2 3.911 CV 1
ASSI { 596}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 40 and name HB3 ))
2.400 .700 .700 peak 596 spectrum 1 weight .10000E+01 volume .36992E-02 ppm1 7.386 ppm2 2.992 CV 1
ASSI { 597}
(( segid "A " and resid 40 and name HN ))
( segid "A " and resid 41 and name HB% )
3.000 1.100 1.100 peak 597 spectrum 1 weight .10000E+01 volume .10449E-02 ppm1 7.387 ppm2 1.451 CV 1
ASSI { 604}
(( segid "A " and resid 98 and name HN ))
(( segid "A " and resid 98 and name HA ))
2.400 .700 .700 peak 604 spectrum 1 weight .10000E+01 volume .36411E-02 ppm1 8.138 ppm2 4.307 CV 1
ASSI { 619}
(( segid "A " and resid 96 and name HN ))
(( segid "A " and resid 98 and name HN ))
3.300 1.400 1.400 peak 619 spectrum 1 weight .10000E+01 volume .58703E-03 ppm1 7.923 ppm2 8.167 CV 1
ASSI { 621}
(( segid "A " and resid 96 and name HN ))
(( segid "A " and resid 95 and name HN ))
2.700 .900 .900 peak 621 spectrum 1 weight .10000E+01 volume .22516E-02 ppm1 7.922 ppm2 7.803 CV 1
ASSI { 626}
(( segid "A " and resid 96 and name HN ))
(( segid "A " and resid 95 and name HB3 ))
2.200 2.200 3.800 peak 626 spectrum 1 weight .10000E+01 volume .70956E-02 ppm1 7.923 ppm2 1.941 CV 1
ASSI { 627}
(( segid "A " and resid 96 and name HN ))
(( segid "A " and resid 95 and name HB2 ))
2.900 1.100 1.100 peak 627 spectrum 1 weight .10000E+01 volume .12112E-02 ppm1 7.922 ppm2 1.738 CV 1
ASSI { 628}
(( segid "A " and resid 96 and name HN ))
(( segid "A " and resid 95 and name HG3 ))
2.700 2.700 3.300 peak 628 spectrum 1 weight .10000E+01 volume .18610E-02 ppm1 7.923 ppm2 1.565 CV 1
ASSI { 629}
(( segid "A " and resid 96 and name HN ))
(( segid "A " and resid 95 and name HG2 ))
2.800 2.800 3.200 peak 629 spectrum 1 weight .10000E+01 volume .15136E-02 ppm1 7.922 ppm2 1.496 CV 1
ASSI { 630}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 24 and name HB ))
2.600 .900 .900 peak 630 spectrum 1 weight .10000E+01 volume .24727E-02 ppm1 7.439 ppm2 2.122 CV 1
ASSI { 631}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 24 and name HG12))
2.800 1.000 1.000 peak 631 spectrum 1 weight .10000E+01 volume .16741E-02 ppm1 7.439 ppm2 1.634 CV 1
ASSI { 632}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 23 and name HG1 ))
3.100 1.200 1.200 peak 632 spectrum 1 weight .10000E+01 volume .83868E-03 ppm1 7.441 ppm2 1.180 CV 1
ASSI { 633}
(( segid "A " and resid 24 and name HN ))
( segid "A " and resid 24 and name HG2%)
2.900 1.000 1.000 peak 633 spectrum 1 weight .10000E+01 volume .13366E-02 ppm1 7.439 ppm2 1.088 CV 1
ASSI { 635}
(( segid "A " and resid 24 and name HN ))
( segid "A " and resid 24 and name HD1%)
2.700 .900 .900 peak 635 spectrum 1 weight .10000E+01 volume .18610E-02 ppm1 7.439 ppm2 .773 CV 1
ASSI { 636}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 23 and name HB ))
2.900 1.100 1.100 peak 636 spectrum 1 weight .10000E+01 volume .11906E-02 ppm1 7.440 ppm2 4.280 CV 1
ASSI { 637}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 22 and name HA ))
3.700 1.700 1.700 peak 637 spectrum 1 weight .10000E+01 volume .29925E-03 ppm1 7.440 ppm2 4.171 CV 1
ASSI { 638}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 21 and name HA ))
3.000 1.200 1.200 peak 638 spectrum 1 weight .10000E+01 volume .99379E-03 ppm1 7.439 ppm2 3.956 CV 1
ASSI { 639}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 23 and name HA ))
3.600 1.600 1.600 peak 639 spectrum 1 weight .10000E+01 volume .38675E-03 ppm1 7.439 ppm2 3.795 CV 1
ASSI { 640}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 24 and name HA ))
2.900 1.100 1.100 peak 640 spectrum 1 weight .10000E+01 volume .12108E-02 ppm1 7.439 ppm2 3.565 CV 1
ASSI { 641}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 25 and name HN ))
2.900 1.000 1.000 peak 641 spectrum 1 weight .10000E+01 volume .13358E-02 ppm1 7.439 ppm2 8.310 CV 1
ASSI { 642}
(( segid "A " and resid 24 and name HN ))
(( segid "A " and resid 23 and name HN ))
2.900 1.000 1.000 peak 642 spectrum 1 weight .10000E+01 volume .13374E-02 ppm1 7.439 ppm2 7.583 CV 1
ASSI { 649}
(( segid "A " and resid 92 and name HN ))
(( segid "A " and resid 89 and name HA ))
3.300 1.400 1.400 peak 649 spectrum 1 weight .10000E+01 volume .59611E-03 ppm1 8.808 ppm2 4.752 CV 1
ASSI { 650}
(( segid "A " and resid 92 and name HN ))
(( segid "A " and resid 92 and name HA ))
2.600 .900 .900 peak 650 spectrum 1 weight .10000E+01 volume .23287E-02 ppm1 8.809 ppm2 4.480 CV 1
ASSI { 651}
(( segid "A " and resid 92 and name HN ))
(( segid "A " and resid 91 and name HA ))
3.100 1.200 1.200 peak 651 spectrum 1 weight .10000E+01 volume .88199E-03 ppm1 8.809 ppm2 4.217 CV 1
ASSI { 652}
(( segid "A " and resid 92 and name HN ))
(( segid "A " and resid 90 and name HA ))
3.200 1.300 1.300 peak 652 spectrum 1 weight .10000E+01 volume .66501E-03 ppm1 8.810 ppm2 4.128 CV 1
ASSI { 661}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 28 and name HA ))
2.900 1.100 1.100 peak 661 spectrum 1 weight .10000E+01 volume .12673E-02 ppm1 9.096 ppm2 2.878 CV 1
ASSI { 663}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 27 and name HA ))
3.400 1.400 1.400 peak 663 spectrum 1 weight .10000E+01 volume .50783E-03 ppm1 9.095 ppm2 3.860 CV 1
ASSI { 664}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 29 and name HN ))
2.900 1.000 1.000 peak 664 spectrum 1 weight .10000E+01 volume .13300E-02 ppm1 9.096 ppm2 7.875 CV 1
ASSI { 668}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 27 and name HN ))
3.000 1.100 1.100 peak 668 spectrum 1 weight .10000E+01 volume .10458E-02 ppm1 9.095 ppm2 8.371 CV 1
ASSI { 680}
(( segid "A " and resid 95 and name HN ))
(( segid "A " and resid 92 and name HA ))
3.100 1.200 1.200 peak 680 spectrum 1 weight .10000E+01 volume .95709E-03 ppm1 7.790 ppm2 4.479 CV 1
ASSI { 682}
(( segid "A " and resid 95 and name HN ))
(( segid "A " and resid 95 and name HA ))
2.300 .700 .700 peak 682 spectrum 1 weight .10000E+01 volume .47689E-02 ppm1 7.789 ppm2 4.215 CV 1
ASSI { 683}
(( segid "A " and resid 95 and name HN ))
(( segid "A " and resid 94 and name HN ))
2.400 .700 .700 peak 683 spectrum 1 weight .10000E+01 volume .44719E-02 ppm1 7.789 ppm2 7.946 CV 1
ASSI { 703}
(( segid "A " and resid 21 and name HN ))
(( segid "A " and resid 22 and name HB3 ))
2.500 2.500 3.500 peak 703 spectrum 1 weight .10000E+01 volume .30605E-02 ppm1 8.543 ppm2 2.060 CV 1
ASSI { 706}
(( segid "A " and resid 21 and name HN ))
(( segid "A " and resid 20 and name HA2 ))
2.500 .800 .800 peak 706 spectrum 1 weight .10000E+01 volume .33754E-02 ppm1 8.543 ppm2 4.219 CV 1
ASSI { 707}
(( segid "A " and resid 21 and name HN ))
(( segid "A " and resid 20 and name HA1 ))
2.500 .800 .800 peak 707 spectrum 1 weight .10000E+01 volume .30198E-02 ppm1 8.543 ppm2 4.036 CV 1
ASSI { 708}
(( segid "A " and resid 21 and name HN ))
(( segid "A " and resid 21 and name HA ))
2.600 .800 .800 peak 708 spectrum 1 weight .10000E+01 volume .25577E-02 ppm1 8.543 ppm2 3.956 CV 1
ASSI { 718}
(( segid "A " and resid 25 and name HN ))
(( segid "A " and resid 24 and name HB ))
2.400 .700 .700 peak 718 spectrum 1 weight .10000E+01 volume .42079E-02 ppm1 8.296 ppm2 2.109 CV 1
ASSI { 720}
(( segid "A " and resid 25 and name HN ))
(( segid "A " and resid 25 and name HA ))
2.600 .800 .800 peak 720 spectrum 1 weight .10000E+01 volume .25787E-02 ppm1 8.296 ppm2 3.970 CV 1
ASSI { 721}
(( segid "A " and resid 25 and name HN ))
(( segid "A " and resid 24 and name HA ))
3.300 1.300 1.300 peak 721 spectrum 1 weight .10000E+01 volume .63737E-03 ppm1 8.297 ppm2 3.565 CV 1
ASSI { 723}
(( segid "A " and resid 25 and name HN ))
(( segid "A " and resid 26 and name HN ))
2.900 1.100 1.100 peak 723 spectrum 1 weight .10000E+01 volume .13061E-02 ppm1 8.296 ppm2 8.131 CV 1
ASSI { 724}
(( segid "A " and resid 25 and name HN ))
(( segid "A " and resid 23 and name HN ))
3.600 1.700 1.700 peak 724 spectrum 1 weight .10000E+01 volume .33556E-03 ppm1 8.295 ppm2 7.572 CV 1
ASSI { 735}
(( segid "A " and resid 97 and name HN ))
(( segid "A " and resid 97 and name HB3 ))
2.600 2.600 3.400 peak 735 spectrum 1 weight .10000E+01 volume .25227E-02 ppm1 8.003 ppm2 2.136 CV 1
ASSI { 737}
(( segid "A " and resid 97 and name HN ))
(( segid "A " and resid 95 and name HB3 ))
2.600 2.600 3.400 peak 737 spectrum 1 weight .10000E+01 volume .24979E-02 ppm1 8.002 ppm2 1.948 CV 1
ASSI { 739}
(( segid "A " and resid 97 and name HN ))
(( segid "A " and resid 96 and name HD3 ))
3.500 3.500 2.500 peak 739 spectrum 1 weight .10000E+01 volume .42037E-03 ppm1 8.003 ppm2 1.551 CV 1
ASSI { 740}
(( segid "A " and resid 97 and name HN ))
(( segid "A " and resid 95 and name HG2 ))
3.500 3.500 2.500 peak 740 spectrum 1 weight .10000E+01 volume .42161E-03 ppm1 8.003 ppm2 1.496 CV 1
ASSI { 744}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 50 and name HA ))
3.100 1.200 1.200 peak 744 spectrum 1 weight .10000E+01 volume .94429E-03 ppm1 7.737 ppm2 4.175 CV 1
ASSI { 745}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 52 and name HB2 ))
3.300 3.300 2.700 peak 745 spectrum 1 weight .10000E+01 volume .63737E-03 ppm1 7.734 ppm2 4.018 CV 1
ASSI { 747}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 51 and name HA ))
2.800 1.000 1.000 peak 747 spectrum 1 weight .10000E+01 volume .15791E-02 ppm1 7.734 ppm2 3.618 CV 1
ASSI { 751}
(( segid "A " and resid 51 and name HN ))
( segid "A " and resid 51 and name HG1%)
2.800 1.000 1.000 peak 751 spectrum 1 weight .10000E+01 volume .15475E-02 ppm1 7.734 ppm2 1.059 CV 1
ASSI { 752}
(( segid "A " and resid 51 and name HN ))
( segid "A " and resid 51 and name HG2%)
2.500 .800 .800 peak 752 spectrum 1 weight .10000E+01 volume .35164E-02 ppm1 7.734 ppm2 .989 CV 1
ASSI { 755}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 26 and name HG13))
3.400 1.400 1.400 peak 755 spectrum 1 weight .10000E+01 volume .51319E-03 ppm1 8.358 ppm2 1.188 CV 1
ASSI { 757}
(( segid "A " and resid 27 and name HN ))
( segid "A " and resid 30 and name HG1%)
3.600 1.700 1.700 peak 757 spectrum 1 weight .10000E+01 volume .33156E-03 ppm1 8.359 ppm2 .908 CV 1
ASSI { 759}
(( segid "A " and resid 27 and name HN ))
( segid "A " and resid 26 and name HG2%)
2.900 1.000 1.000 peak 759 spectrum 1 weight .10000E+01 volume .14397E-02 ppm1 8.357 ppm2 .633 CV 1
ASSI { 760}
(( segid "A " and resid 27 and name HN ))
( segid "A " and resid 32 and name HG2%)
3.700 3.700 2.300 peak 760 spectrum 1 weight .10000E+01 volume .32693E-03 ppm1 8.360 ppm2 .504 CV 1
ASSI { 763}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 26 and name HB ))
2.600 .800 .800 peak 763 spectrum 1 weight .10000E+01 volume .25148E-02 ppm1 8.357 ppm2 1.554 CV 1
ASSI { 764}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 26 and name HA ))
3.300 1.400 1.400 peak 764 spectrum 1 weight .10000E+01 volume .58538E-03 ppm1 8.357 ppm2 2.697 CV 1
ASSI { 765}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 27 and name HA ))
2.800 1.000 1.000 peak 765 spectrum 1 weight .10000E+01 volume .15028E-02 ppm1 8.357 ppm2 3.866 CV 1
ASSI { 766}
(( segid "A " and resid 27 and name HN ))
(( segid "A " and resid 24 and name HA ))
3.500 1.500 1.500 peak 766 spectrum 1 weight .10000E+01 volume .45131E-03 ppm1 8.355 ppm2 3.566 CV 1
ASSI { 771}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 37 and name HB3 ))
3.300 1.400 1.400 peak 771 spectrum 1 weight .10000E+01 volume .59034E-03 ppm1 8.930 ppm2 2.279 CV 1
ASSI { 773}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 37 and name HB2 ))
2.900 1.100 1.100 peak 773 spectrum 1 weight .10000E+01 volume .12124E-02 ppm1 8.930 ppm2 1.967 CV 1
ASSI { 778}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 38 and name HA ))
2.700 .900 .900 peak 778 spectrum 1 weight .10000E+01 volume .18481E-02 ppm1 8.931 ppm2 4.066 CV 1
ASSI { 779}
(( segid "A " and resid 38 and name HN ))
(( segid "A " and resid 37 and name HA ))
3.500 1.500 1.500 peak 779 spectrum 1 weight .10000E+01 volume .41295E-03 ppm1 8.930 ppm2 3.864 CV 1
ASSI { 783}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 59 and name HB3 ))
2.700 .900 .900 peak 783 spectrum 1 weight .10000E+01 volume .21348E-02 ppm1 8.771 ppm2 2.168 CV 1
ASSI { 784}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 59 and name HB2 ))
2.700 2.700 3.300 peak 784 spectrum 1 weight .10000E+01 volume .21101E-02 ppm1 8.771 ppm2 2.066 CV 1
ASSI { 794}
(( segid "A " and resid 80 and name HN ))
(( segid "A " and resid 79 and name HB3 ))
2.700 2.700 3.300 peak 794 spectrum 1 weight .10000E+01 volume .19224E-02 ppm1 8.724 ppm2 3.248 CV 1
ASSI { 795}
(( segid "A " and resid 80 and name HN ))
(( segid "A " and resid 81 and name HA ))
3.200 3.200 2.800 peak 795 spectrum 1 weight .10000E+01 volume .66542E-03 ppm1 8.724 ppm2 4.372 CV 1
ASSI { 805}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 32 and name HA ))
2.900 1.100 1.100 peak 805 spectrum 1 weight .10000E+01 volume .12710E-02 ppm1 8.083 ppm2 4.724 CV 1
ASSI { 806}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 31 and name HA ))
3.500 1.500 1.500 peak 806 spectrum 1 weight .10000E+01 volume .45131E-03 ppm1 8.082 ppm2 4.265 CV 1
ASSI { 810}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 32 and name HB ))
2.700 .900 .900 peak 810 spectrum 1 weight .10000E+01 volume .18989E-02 ppm1 8.084 ppm2 2.081 CV 1
ASSI { 813}
(( segid "A " and resid 32 and name HN ))
(( segid "A " and resid 31 and name HB3 ))
3.400 1.400 1.400 peak 813 spectrum 1 weight .10000E+01 volume .52515E-03 ppm1 8.085 ppm2 1.311 CV 1
ASSI { 815}
(( segid "A " and resid 32 and name HN ))
( segid "A " and resid 32 and name HG1%)
2.900 1.000 1.000 peak 815 spectrum 1 weight .10000E+01 volume .14035E-02 ppm1 8.085 ppm2 .831 CV 1
ASSI { 816}
(( segid "A " and resid 32 and name HN ))
( segid "A " and resid 5 and name HD2%)
3.700 3.700 2.300 peak 816 spectrum 1 weight .10000E+01 volume .31097E-03 ppm1 8.085 ppm2 .583 CV 1
ASSI { 817}
(( segid "A " and resid 32 and name HN ))
( segid "A " and resid 32 and name HG2%)
2.700 .900 .900 peak 817 spectrum 1 weight .10000E+01 volume .19302E-02 ppm1 8.084 ppm2 .427 CV 1
ASSI { 822}
(( segid "A " and resid 62 and name HN ))
(( segid "A " and resid 62 and name HB3 ))
2.800 1.000 1.000 peak 822 spectrum 1 weight .10000E+01 volume .16909E-02 ppm1 7.804 ppm2 2.871 CV 1
ASSI { 823}
(( segid "A " and resid 62 and name HN ))
(( segid "A " and resid 62 and name HB2 ))
2.800 1.000 1.000 peak 823 spectrum 1 weight .10000E+01 volume .17561E-02 ppm1 7.805 ppm2 2.682 CV 1
ASSI { 825}
(( segid "A " and resid 62 and name HN ))
(( segid "A " and resid 61 and name HA ))
3.100 1.200 1.200 peak 825 spectrum 1 weight .10000E+01 volume .85642E-03 ppm1 7.803 ppm2 4.136 CV 1
ASSI { 826}
(( segid "A " and resid 62 and name HN ))
(( segid "A " and resid 62 and name HA ))
2.800 1.000 1.000 peak 826 spectrum 1 weight .10000E+01 volume .16390E-02 ppm1 7.804 ppm2 3.964 CV 1
ASSI { 828}
(( segid "A " and resid 62 and name HN ))
( segid "A " and resid 62 and name HD% )
3.100 1.200 1.200 peak 828 spectrum 1 weight .10000E+01 volume .95090E-03 ppm1 7.804 ppm2 6.428 CV 1
ASSI { 829}
(( segid "A " and resid 62 and name HN ))
(( segid "A " and resid 63 and name HN ))
2.900 1.000 1.000 peak 829 spectrum 1 weight .10000E+01 volume .13609E-02 ppm1 7.804 ppm2 8.248 CV 1
ASSI { 831}
(( segid "A " and resid 86 and name HN ))
(( segid "A " and resid 85 and name HN ))
3.200 1.300 1.300 peak 831 spectrum 1 weight .10000E+01 volume .70667E-03 ppm1 7.643 ppm2 6.820 CV 1
ASSI { 832}
(( segid "A " and resid 86 and name HN ))
( segid "A " and resid 85 and name HG2%)
3.200 1.300 1.300 peak 832 spectrum 1 weight .10000E+01 volume .66913E-03 ppm1 7.643 ppm2 -.091 CV 1
ASSI { 833}
(( segid "A " and resid 86 and name HN ))
( segid "A " and resid 83 and name HB% )
3.700 1.700 1.700 peak 833 spectrum 1 weight .10000E+01 volume .29872E-03 ppm1 7.645 ppm2 1.223 CV 1
ASSI { 834}
(( segid "A " and resid 86 and name HN ))
( segid "A " and resid 86 and name HG1%)
2.700 2.700 3.300 peak 834 spectrum 1 weight .10000E+01 volume .18964E-02 ppm1 7.644 ppm2 1.010 CV 1
ASSI { 835}
(( segid "A " and resid 86 and name HN ))
( segid "A " and resid 86 and name HG2%)
2.800 1.000 1.000 peak 835 spectrum 1 weight .10000E+01 volume .17008E-02 ppm1 7.643 ppm2 .851 CV 1
ASSI { 836}
(( segid "A " and resid 86 and name HN ))
(( segid "A " and resid 86 and name HB ))
2.900 1.100 1.100 peak 836 spectrum 1 weight .10000E+01 volume .12517E-02 ppm1 7.643 ppm2 2.079 CV 1
ASSI { 837}
(( segid "A " and resid 86 and name HN ))
(( segid "A " and resid 85 and name HB ))
3.000 1.100 1.100 peak 837 spectrum 1 weight .10000E+01 volume .10293E-02 ppm1 7.643 ppm2 1.686 CV 1
ASSI { 838}
(( segid "A " and resid 86 and name HN ))
(( segid "A " and resid 83 and name HA ))
3.400 1.400 1.400 peak 838 spectrum 1 weight .10000E+01 volume .52392E-03 ppm1 7.641 ppm2 3.722 CV 1
ASSI { 839}
(( segid "A " and resid 86 and name HN ))
(( segid "A " and resid 85 and name HA ))
3.000 1.200 1.200 peak 839 spectrum 1 weight .10000E+01 volume .99091E-03 ppm1 7.644 ppm2 3.250 CV 1
ASSI { 840}
(( segid "A " and resid 86 and name HN ))
(( segid "A " and resid 87 and name HN ))
3.200 1.200 1.200 peak 840 spectrum 1 weight .10000E+01 volume .78836E-03 ppm1 7.644 ppm2 7.875 CV 1
ASSI { 845}
(( segid "A " and resid 82 and name HN ))
( segid "A " and resid 83 and name HB% )
3.100 1.200 1.200 peak 845 spectrum 1 weight .10000E+01 volume .83456E-03 ppm1 6.528 ppm2 1.224 CV 1
ASSI { 849}
(( segid "A " and resid 82 and name HN ))
(( segid "A " and resid 82 and name HA ))
3.200 1.200 1.200 peak 849 spectrum 1 weight .10000E+01 volume .79495E-03 ppm1 6.526 ppm2 3.665 CV 1
ASSI { 850}
(( segid "A " and resid 82 and name HN ))
(( segid "A " and resid 81 and name HA ))
3.700 1.700 1.700 peak 850 spectrum 1 weight .10000E+01 volume .28679E-03 ppm1 6.532 ppm2 4.331 CV 1
ASSI { 869}
(( segid "A " and resid 66 and name HN ))
(( segid "A " and resid 65 and name HN ))
2.700 .900 .900 peak 869 spectrum 1 weight .10000E+01 volume .21852E-02 ppm1 7.477 ppm2 7.233 CV 1
ASSI { 872}
(( segid "A " and resid 66 and name HN ))
(( segid "A " and resid 64 and name HA ))
3.500 1.500 1.500 peak 872 spectrum 1 weight .10000E+01 volume .42408E-03 ppm1 7.477 ppm2 4.335 CV 1
ASSI { 875}
(( segid "A " and resid 66 and name HN ))
(( segid "A " and resid 65 and name HB3 ))
3.200 1.300 1.300 peak 875 spectrum 1 weight .10000E+01 volume .76690E-03 ppm1 7.478 ppm2 1.768 CV 1
ASSI { 879}
(( segid "A " and resid 66 and name HN ))
(( segid "A " and resid 65 and name HB2 ))
3.000 1.200 1.200 peak 879 spectrum 1 weight .10000E+01 volume .99009E-03 ppm1 7.479 ppm2 1.639 CV 1
ASSI { 880}
(( segid "A " and resid 66 and name HN ))
(( segid "A " and resid 63 and name HA ))
3.400 1.500 1.500 peak 880 spectrum 1 weight .10000E+01 volume .48060E-03 ppm1 7.479 ppm2 3.378 CV 1
ASSI { 881}
(( segid "A " and resid 66 and name HN ))
(( segid "A " and resid 65 and name HA ))
2.900 1.100 1.100 peak 881 spectrum 1 weight .10000E+01 volume .13155E-02 ppm1 7.479 ppm2 4.122 CV 1
ASSI { 886}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 40 and name HA ))
3.500 1.500 1.500 peak 886 spectrum 1 weight .10000E+01 volume .45131E-03 ppm1 7.686 ppm2 4.297 CV 1
ASSI { 887}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 43 and name HA ))
3.000 1.100 1.100 peak 887 spectrum 1 weight .10000E+01 volume .10074E-02 ppm1 7.686 ppm2 4.219 CV 1
ASSI { 890}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 44 and name HA ))
2.700 .900 .900 peak 890 spectrum 1 weight .10000E+01 volume .19677E-02 ppm1 7.686 ppm2 4.529 CV 1
ASSI { 897}
(( segid "A " and resid 64 and name HN ))
(( segid "A " and resid 64 and name HA ))
2.800 1.000 1.000 peak 897 spectrum 1 weight .10000E+01 volume .15673E-02 ppm1 7.905 ppm2 4.335 CV 1
ASSI { 898}
(( segid "A " and resid 64 and name HN ))
(( segid "A " and resid 61 and name HA ))
3.200 1.300 1.300 peak 898 spectrum 1 weight .10000E+01 volume .76153E-03 ppm1 7.903 ppm2 4.128 CV 1
ASSI { 899}
(( segid "A " and resid 64 and name HN ))
(( segid "A " and resid 62 and name HA ))
3.600 1.600 1.600 peak 899 spectrum 1 weight .10000E+01 volume .38968E-03 ppm1 7.907 ppm2 3.971 CV 1
ASSI { 900}
(( segid "A " and resid 64 and name HN ))
(( segid "A " and resid 63 and name HA ))
3.300 1.400 1.400 peak 900 spectrum 1 weight .10000E+01 volume .58787E-03 ppm1 7.904 ppm2 3.373 CV 1
ASSI { 904}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 11 and name HG2 ))
3.400 1.400 1.400 peak 904 spectrum 1 weight .10000E+01 volume .50825E-03 ppm1 7.597 ppm2 2.648 CV 1
ASSI { 905}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 12 and name HG3 ))
2.800 1.000 1.000 peak 905 spectrum 1 weight .10000E+01 volume .15285E-02 ppm1 7.595 ppm2 2.398 CV 1
ASSI { 906}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 12 and name HB3 ))
2.300 2.300 3.700 peak 906 spectrum 1 weight .10000E+01 volume .59983E-02 ppm1 7.596 ppm2 2.213 CV 1
ASSI { 907}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 12 and name HB2 ))
2.500 .800 .800 peak 907 spectrum 1 weight .10000E+01 volume .32005E-02 ppm1 7.596 ppm2 2.117 CV 1
ASSI { 908}
(( segid "A " and resid 12 and name HN ))
( segid "A " and resid 13 and name HB% )
3.300 1.400 1.400 peak 908 spectrum 1 weight .10000E+01 volume .59199E-03 ppm1 7.598 ppm2 1.369 CV 1
ASSI { 909}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 8 and name HA ))
3.600 1.600 1.600 peak 909 spectrum 1 weight .10000E+01 volume .37858E-03 ppm1 7.597 ppm2 4.241 CV 1
ASSI { 910}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 9 and name HA ))
3.200 1.300 1.300 peak 910 spectrum 1 weight .10000E+01 volume .67945E-03 ppm1 7.596 ppm2 4.149 CV 1
ASSI { 911}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 12 and name HA ))
2.600 .800 .800 peak 911 spectrum 1 weight .10000E+01 volume .26625E-02 ppm1 7.596 ppm2 4.026 CV 1
ASSI { 912}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 13 and name HA ))
3.600 1.600 1.600 peak 912 spectrum 1 weight .10000E+01 volume .35594E-03 ppm1 7.596 ppm2 3.854 CV 1
ASSI { 913}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 11 and name HA ))
3.100 1.200 1.200 peak 913 spectrum 1 weight .10000E+01 volume .83126E-03 ppm1 7.595 ppm2 3.791 CV 1
ASSI { 914}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 11 and name HN ))
2.800 1.000 1.000 peak 914 spectrum 1 weight .10000E+01 volume .16080E-02 ppm1 7.595 ppm2 8.440 CV 1
ASSI { 917}
(( segid "A " and resid 65 and name HN ))
(( segid "A " and resid 64 and name HN ))
3.000 1.100 1.100 peak 917 spectrum 1 weight .10000E+01 volume .11246E-02 ppm1 7.216 ppm2 7.918 CV 1
ASSI { 921}
(( segid "A " and resid 65 and name HN ))
(( segid "A " and resid 64 and name HA ))
3.000 1.100 1.100 peak 921 spectrum 1 weight .10000E+01 volume .11786E-02 ppm1 7.217 ppm2 4.335 CV 1
ASSI { 922}
(( segid "A " and resid 65 and name HN ))
(( segid "A " and resid 65 and name HA ))
2.600 .900 .900 peak 922 spectrum 1 weight .10000E+01 volume .23052E-02 ppm1 7.217 ppm2 4.119 CV 1
ASSI { 923}
(( segid "A " and resid 65 and name HN ))
(( segid "A " and resid 62 and name HA ))
3.500 1.500 1.500 peak 923 spectrum 1 weight .10000E+01 volume .42450E-03 ppm1 7.216 ppm2 3.963 CV 1
ASSI { 924}
(( segid "A " and resid 65 and name HN ))
(( segid "A " and resid 63 and name HA ))
3.600 1.600 1.600 peak 924 spectrum 1 weight .10000E+01 volume .34455E-03 ppm1 7.220 ppm2 3.371 CV 1
ASSI { 936}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 57 and name HA ))
3.200 1.300 1.300 peak 936 spectrum 1 weight .10000E+01 volume .70420E-03 ppm1 7.123 ppm2 4.083 CV 1
ASSI { 940}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 57 and name HB3 ))
3.200 1.300 1.300 peak 940 spectrum 1 weight .10000E+01 volume .76153E-03 ppm1 7.124 ppm2 2.080 CV 1
ASSI { 941}
(( segid "A " and resid 58 and name HN ))
(( segid "A " and resid 57 and name HB2 ))
2.500 2.500 3.500 peak 941 spectrum 1 weight .10000E+01 volume .33646E-02 ppm1 7.123 ppm2 1.932 CV 1
ASSI { 959}
(( segid "A " and resid 87 and name HN ))
(( segid "A " and resid 86 and name HA ))
3.200 1.300 1.300 peak 959 spectrum 1 weight .10000E+01 volume .73761E-03 ppm1 7.860 ppm2 3.244 CV 1
ASSI { 961}
(( segid "A " and resid 87 and name HN ))
(( segid "A " and resid 87 and name HA ))
2.900 1.000 1.000 peak 961 spectrum 1 weight .10000E+01 volume .13564E-02 ppm1 7.861 ppm2 4.058 CV 1
ASSI { 966}
(( segid "A " and resid 56 and name HN ))
(( segid "A " and resid 56 and name HA ))
2.800 1.000 1.000 peak 966 spectrum 1 weight .10000E+01 volume .17087E-02 ppm1 8.658 ppm2 4.372 CV 1
ASSI { 968}
(( segid "A " and resid 56 and name HN ))
(( segid "A " and resid 55 and name HA ))
2.400 2.400 3.600 peak 968 spectrum 1 weight .10000E+01 volume .37425E-02 ppm1 8.659 ppm2 3.290 CV 1
ASSI { 969}
(( segid "A " and resid 56 and name HN ))
(( segid "A " and resid 57 and name HN ))
2.900 1.100 1.100 peak 969 spectrum 1 weight .10000E+01 volume .12536E-02 ppm1 8.660 ppm2 8.256 CV 1
ASSI { 970}
(( segid "A " and resid 56 and name HN ))
(( segid "A " and resid 55 and name HN ))
2.900 1.000 1.000 peak 970 spectrum 1 weight .10000E+01 volume .14381E-02 ppm1 8.659 ppm2 7.711 CV 1
ASSI { 971}
(( segid "A " and resid 56 and name HN ))
(( segid "A " and resid 54 and name HN ))
3.700 1.700 1.700 peak 971 spectrum 1 weight .10000E+01 volume .31802E-03 ppm1 8.656 ppm2 7.509 CV 1
ASSI { 972}
(( segid "A " and resid 56 and name HN ))
(( segid "A " and resid 58 and name HN ))
3.400 1.500 1.500 peak 972 spectrum 1 weight .10000E+01 volume .48596E-03 ppm1 8.660 ppm2 7.124 CV 1
ASSI { 974}
(( segid "A " and resid 33 and name HN ))
(( segid "A " and resid 32 and name HN ))
2.600 .900 .900 peak 974 spectrum 1 weight .10000E+01 volume .22892E-02 ppm1 7.617 ppm2 8.101 CV 1
ASSI { 977}
(( segid "A " and resid 33 and name HN ))
(( segid "A " and resid 32 and name HA ))
3.200 1.300 1.300 peak 977 spectrum 1 weight .10000E+01 volume .72029E-03 ppm1 7.617 ppm2 4.723 CV 1
ASSI { 978}
(( segid "A " and resid 33 and name HN ))
(( segid "A " and resid 33 and name HA ))
2.800 1.000 1.000 peak 978 spectrum 1 weight .10000E+01 volume .16827E-02 ppm1 7.617 ppm2 4.618 CV 1
ASSI { 979}
(( segid "A " and resid 33 and name HN ))
(( segid "A " and resid 34 and name HA1 ))
3.300 1.400 1.400 peak 979 spectrum 1 weight .10000E+01 volume .61963E-03 ppm1 7.617 ppm2 3.832 CV 1
ASSI { 981}
(( segid "A " and resid 33 and name HN ))
(( segid "A " and resid 33 and name HB2 ))
3.400 1.400 1.400 peak 981 spectrum 1 weight .10000E+01 volume .50288E-03 ppm1 7.617 ppm2 2.875 CV 1
ASSI { 982}
(( segid "A " and resid 33 and name HN ))
(( segid "A " and resid 33 and name HB3 ))
2.900 1.000 1.000 peak 982 spectrum 1 weight .10000E+01 volume .14270E-02 ppm1 7.618 ppm2 2.796 CV 1
ASSI { 983}
(( segid "A " and resid 33 and name HN ))
(( segid "A " and resid 32 and name HB ))
2.700 .900 .900 peak 983 spectrum 1 weight .10000E+01 volume .19975E-02 ppm1 7.617 ppm2 2.081 CV 1
ASSI { 989}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 42 and name HN ))
2.700 .900 .900 peak 989 spectrum 1 weight .10000E+01 volume .19072E-02 ppm1 8.157 ppm2 7.826 CV 1
ASSI { 990}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 44 and name HN ))
2.700 .900 .900 peak 990 spectrum 1 weight .10000E+01 volume .18296E-02 ppm1 8.157 ppm2 7.699 CV 1
ASSI { 992}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 44 and name HA ))
3.500 3.500 2.500 peak 992 spectrum 1 weight .10000E+01 volume .46245E-03 ppm1 8.157 ppm2 4.530 CV 1
ASSI { 993}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 40 and name HA ))
3.000 1.100 1.100 peak 993 spectrum 1 weight .10000E+01 volume .10619E-02 ppm1 8.158 ppm2 4.297 CV 1
ASSI { 995}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 42 and name HA ))
2.900 1.000 1.000 peak 995 spectrum 1 weight .10000E+01 volume .13873E-02 ppm1 8.157 ppm2 4.058 CV 1
ASSI { 998}
(( segid "A " and resid 43 and name HN ))
( segid "A " and resid 41 and name HB% )
3.300 1.400 1.400 peak 998 spectrum 1 weight .10000E+01 volume .58456E-03 ppm1 8.156 ppm2 1.445 CV 1
ASSI { 1005}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 31 and name HA ))
3.100 1.200 1.200 peak 1005 spectrum 1 weight .10000E+01 volume .80526E-03 ppm1 8.958 ppm2 4.269 CV 1
ASSI { 1009}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 30 and name HB ))
3.000 1.100 1.100 peak 1009 spectrum 1 weight .10000E+01 volume .10813E-02 ppm1 8.957 ppm2 1.796 CV 1
ASSI { 1016}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HG2 ))
2.800 1.000 1.000 peak 1016 spectrum 1 weight .10000E+01 volume .17594E-02 ppm1 8.424 ppm2 2.645 CV 1
ASSI { 1017}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HB3 ))
2.500 .800 .800 peak 1017 spectrum 1 weight .10000E+01 volume .30887E-02 ppm1 8.424 ppm2 2.184 CV 1
ASSI { 1018}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 10 and name HN ))
3.100 1.200 1.200 peak 1018 spectrum 1 weight .10000E+01 volume .91501E-03 ppm1 8.424 ppm2 8.826 CV 1
ASSI { 1021}
(( segid "A " and resid 11 and name HN ))
( segid "A " and resid 10 and name HD% )
3.100 1.200 1.200 peak 1021 spectrum 1 weight .10000E+01 volume .86963E-03 ppm1 8.425 ppm2 6.983 CV 1
ASSI { 1022}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 8 and name HA ))
3.200 1.300 1.300 peak 1022 spectrum 1 weight .10000E+01 volume .75659E-03 ppm1 8.423 ppm2 4.240 CV 1
ASSI { 1023}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 12 and name HA ))
3.300 3.300 2.700 peak 1023 spectrum 1 weight .10000E+01 volume .63654E-03 ppm1 8.424 ppm2 4.038 CV 1
ASSI { 1024}
(( segid "A " and resid 11 and name HN ))
(( segid "A " and resid 11 and name HA ))
2.800 1.000 1.000 peak 1024 spectrum 1 weight .10000E+01 volume .15169E-02 ppm1 8.425 ppm2 3.791 CV 1
ASSI { 1043}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 54 and name HA ))
3.200 1.300 1.300 peak 1043 spectrum 1 weight .10000E+01 volume .74917E-03 ppm1 7.697 ppm2 4.174 CV 1
ASSI { 1045}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 55 and name HA ))
2.900 1.000 1.000 peak 1045 spectrum 1 weight .10000E+01 volume .13849E-02 ppm1 7.696 ppm2 3.355 CV 1
ASSI { 1046}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 55 and name HB ))
2.600 .800 .800 peak 1046 spectrum 1 weight .10000E+01 volume .25135E-02 ppm1 7.695 ppm2 2.168 CV 1
ASSI { 1047}
(( segid "A " and resid 55 and name HN ))
( segid "A " and resid 54 and name HB% )
2.700 .900 .900 peak 1047 spectrum 1 weight .10000E+01 volume .21365E-02 ppm1 7.695 ppm2 1.686 CV 1
ASSI { 1048}
(( segid "A " and resid 55 and name HN ))
( segid "A " and resid 55 and name HG1%)
2.500 2.500 3.500 peak 1048 spectrum 1 weight .10000E+01 volume .31311E-02 ppm1 7.695 ppm2 1.003 CV 1
ASSI { 1049}
(( segid "A " and resid 55 and name HN ))
( segid "A " and resid 58 and name HG2%)
3.400 3.400 2.600 peak 1049 spectrum 1 weight .10000E+01 volume .53258E-03 ppm1 7.695 ppm2 .630 CV 1
ASSI { 1050}
(( segid "A " and resid 55 and name HN ))
( segid "A " and resid 55 and name HG2%)
2.800 1.000 1.000 peak 1050 spectrum 1 weight .10000E+01 volume .16023E-02 ppm1 7.696 ppm2 .911 CV 1
ASSI { 1055}
(( segid "A " and resid 99 and name HN ))
(( segid "A " and resid 99 and name HA ))
2.300 .600 .600 peak 1055 spectrum 1 weight .10000E+01 volume .55815E-02 ppm1 8.039 ppm2 4.309 CV 1
ASSI { 1056}
(( segid "A " and resid 99 and name HN ))
(( segid "A " and resid 99 and name HB ))
2.600 2.600 3.400 peak 1056 spectrum 1 weight .10000E+01 volume .25784E-02 ppm1 8.038 ppm2 4.228 CV 1
ASSI { 1058}
(( segid "A " and resid 99 and name HN ))
(( segid "A " and resid 98 and name HB2 ))
3.100 1.200 1.200 peak 1058 spectrum 1 weight .10000E+01 volume .95956E-03 ppm1 8.039 ppm2 2.060 CV 1
ASSI { 1059}
(( segid "A " and resid 99 and name HN ))
(( segid "A " and resid 99 and name HG1 ))
2.800 1.000 1.000 peak 1059 spectrum 1 weight .10000E+01 volume .16551E-02 ppm1 8.038 ppm2 1.242 CV 1
ASSI { 1063}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 54 and name HN ))
3.700 1.700 1.700 peak 1063 spectrum 1 weight .10000E+01 volume .30210E-03 ppm1 8.332 ppm2 7.510 CV 1
ASSI { 1065}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 52 and name HB3 ))
2.600 .900 .900 peak 1065 spectrum 1 weight .10000E+01 volume .24674E-02 ppm1 8.330 ppm2 4.124 CV 1
ASSI { 1066}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 52 and name HB2 ))
2.300 .700 .700 peak 1066 spectrum 1 weight .10000E+01 volume .47153E-02 ppm1 8.329 ppm2 4.018 CV 1
ASSI { 1068}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 51 and name HA ))
3.200 1.300 1.300 peak 1068 spectrum 1 weight .10000E+01 volume .67779E-03 ppm1 8.329 ppm2 3.618 CV 1
ASSI { 1069}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 51 and name HB ))
2.700 .900 .900 peak 1069 spectrum 1 weight .10000E+01 volume .22265E-02 ppm1 8.330 ppm2 2.273 CV 1
ASSI { 1074}
(( segid "A " and resid 16 and name HN ))
(( segid "A " and resid 16 and name HA1 ))
2.800 1.000 1.000 peak 1074 spectrum 1 weight .10000E+01 volume .15388E-02 ppm1 8.913 ppm2 3.804 CV 1
ASSI { 1075}
(( segid "A " and resid 16 and name HN ))
(( segid "A " and resid 15 and name HG2 ))
3.300 1.400 1.400 peak 1075 spectrum 1 weight .10000E+01 volume .56187E-03 ppm1 8.913 ppm2 2.482 CV 1
ASSI { 1076}
(( segid "A " and resid 16 and name HN ))
(( segid "A " and resid 15 and name HB2 ))
3.200 1.300 1.300 peak 1076 spectrum 1 weight .10000E+01 volume .69223E-03 ppm1 8.914 ppm2 2.082 CV 1
ASSI { 1081}
(( segid "A " and resid 76 and name HN ))
(( segid "A " and resid 77 and name HN ))
3.800 1.800 1.800 peak 1081 spectrum 1 weight .10000E+01 volume .26596E-03 ppm1 9.090 ppm2 8.723 CV 1
ASSI { 1082}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 12 and name HN ))
3.800 1.800 1.800 peak 1082 spectrum 1 weight .10000E+01 volume .26135E-03 ppm1 7.297 ppm2 7.606 CV 1
ASSI { 1087}
(( segid "A " and resid 100 and name HN ))
(( segid "A " and resid 100 and name HA ))
2.300 .700 .700 peak 1087 spectrum 1 weight .10000E+01 volume .53217E-02 ppm1 8.231 ppm2 4.324 CV 1
ASSI { 1089}
(( segid "A " and resid 34 and name HN ))
(( segid "A " and resid 34 and name HA2 ))
2.500 .800 .800 peak 1089 spectrum 1 weight .10000E+01 volume .31303E-02 ppm1 6.874 ppm2 3.887 CV 1
ASSI { 1090}
(( segid "A " and resid 34 and name HN ))
(( segid "A " and resid 34 and name HA1 ))
2.500 .800 .800 peak 1090 spectrum 1 weight .10000E+01 volume .34644E-02 ppm1 6.871 ppm2 3.833 CV 1
ASSI { 1091}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 47 and name HN ))
3.800 1.800 1.800 peak 1091 spectrum 1 weight .10000E+01 volume .27251E-03 ppm1 8.758 ppm2 7.967 CV 1
ASSI { 1093}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 47 and name HA ))
3.900 1.900 1.900 peak 1093 spectrum 1 weight .10000E+01 volume .21732E-03 ppm1 8.759 ppm2 4.403 CV 1
ASSI { 1095}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 48 and name HA ))
3.100 1.200 1.200 peak 1095 spectrum 1 weight .10000E+01 volume .82218E-03 ppm1 8.759 ppm2 3.884 CV 1
ASSI { 1096}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 48 and name HB2 ))
3.800 1.800 1.800 peak 1096 spectrum 1 weight .10000E+01 volume .26736E-03 ppm1 8.765 ppm2 1.878 CV 1
OR { 1096}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 48 and name HB3 ))
ASSI { 1099}
(( segid "A " and resid 45 and name HN ))
(( segid "A " and resid 45 and name HA2 ))
2.200 2.200 3.800 peak 1099 spectrum 1 weight .10000E+01 volume .63530E-02 ppm1 7.614 ppm2 3.926 CV 1
ASSI { 1101}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 10 and name HN ))
3.800 1.800 1.800 peak 1101 spectrum 1 weight .10000E+01 volume .24353E-03 ppm1 8.630 ppm2 8.825 CV 1
ASSI { 1110}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 54 and name HN ))
2.700 .900 .900 peak 1110 spectrum 1 weight .10000E+01 volume .18217E-02 ppm1 8.272 ppm2 7.509 CV 1
ASSI { 1115}
(( segid "A " and resid 85 and name HN ))
( segid "A " and resid 84 and name HD% )
3.400 1.500 1.500 peak 1115 spectrum 1 weight .10000E+01 volume .47359E-03 ppm1 6.799 ppm2 7.054 CV 1
ASSI { 1117}
(( segid "A " and resid 85 and name HN ))
(( segid "A " and resid 84 and name HA ))
3.500 1.600 1.600 peak 1117 spectrum 1 weight .10000E+01 volume .40495E-03 ppm1 6.802 ppm2 4.033 CV 1
ASSI { 1118}
(( segid "A " and resid 85 and name HN ))
(( segid "A " and resid 85 and name HA ))
3.000 1.100 1.100 peak 1118 spectrum 1 weight .10000E+01 volume .11056E-02 ppm1 6.800 ppm2 3.233 CV 1
ASSI { 1119}
(( segid "A " and resid 85 and name HN ))
(( segid "A " and resid 84 and name HB2 ))
3.300 1.300 1.300 peak 1119 spectrum 1 weight .10000E+01 volume .62664E-03 ppm1 6.798 ppm2 3.066 CV 1
ASSI { 1120}
(( segid "A " and resid 85 and name HN ))
(( segid "A " and resid 84 and name HB3 ))
3.200 1.300 1.300 peak 1120 spectrum 1 weight .10000E+01 volume .71080E-03 ppm1 6.799 ppm2 2.999 CV 1
ASSI { 1121}
(( segid "A " and resid 85 and name HN ))
(( segid "A " and resid 86 and name HB ))
3.900 1.900 1.900 peak 1121 spectrum 1 weight .10000E+01 volume .23767E-03 ppm1 6.800 ppm2 2.076 CV 1
ASSI { 1122}
(( segid "A " and resid 85 and name HN ))
(( segid "A " and resid 85 and name HB ))
2.700 .900 .900 peak 1122 spectrum 1 weight .10000E+01 volume .18787E-02 ppm1 6.799 ppm2 1.680 CV 1
ASSI { 1123}
(( segid "A " and resid 85 and name HN ))
( segid "A " and resid 86 and name HG1%)
3.000 3.000 3.000 peak 1123 spectrum 1 weight .10000E+01 volume .10272E-02 ppm1 6.799 ppm2 .974 CV 1
ASSI { 1124}
(( segid "A " and resid 85 and name HN ))
( segid "A " and resid 86 and name HG2%)
3.500 1.600 1.600 peak 1124 spectrum 1 weight .10000E+01 volume .40078E-03 ppm1 6.799 ppm2 .851 CV 1
ASSI { 1125}
(( segid "A " and resid 85 and name HN ))
( segid "A " and resid 85 and name HD1%)
3.000 1.100 1.100 peak 1125 spectrum 1 weight .10000E+01 volume .10330E-02 ppm1 6.799 ppm2 .761 CV 1
ASSI { 1126}
(( segid "A " and resid 85 and name HN ))
( segid "A " and resid 85 and name HG2%)
3.100 1.200 1.200 peak 1126 spectrum 1 weight .10000E+01 volume .92655E-03 ppm1 6.798 ppm2 -.091 CV 1
ASSI { 1128}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 8 and name HN ))
3.000 1.100 1.100 peak 1128 spectrum 1 weight .10000E+01 volume .10883E-02 ppm1 8.810 ppm2 8.438 CV 1
ASSI { 1131}
(( segid "A " and resid 59 and name HN ))
(( segid "A " and resid 58 and name HN ))
2.700 .900 .900 peak 1131 spectrum 1 weight .10000E+01 volume .19884E-02 ppm1 8.804 ppm2 7.131 CV 1
ASSI { 1134}
(( segid "A " and resid 71 and name HN ))
(( segid "A " and resid 72 and name HN ))
3.400 1.400 1.400 peak 1134 spectrum 1 weight .10000E+01 volume .52969E-03 ppm1 7.985 ppm2 9.266 CV 1
ASSI { 1135}
(( segid "A " and resid 7 and name HN ))
(( segid "A " and resid 6 and name HN ))
4.100 2.100 1.900 peak 1135 spectrum 1 weight .10000E+01 volume .15659E-03 ppm1 9.153 ppm2 8.646 CV 1
ASSI { 1140}
(( segid "A " and resid 89 and name HN ))
(( segid "A " and resid 88 and name HN ))
3.000 1.100 1.100 peak 1140 spectrum 1 weight .10000E+01 volume .10309E-02 ppm1 8.888 ppm2 7.555 CV 1
ASSI { 1143}
(( segid "A " and resid 73 and name HN ))
(( segid "A " and resid 72 and name HN ))
3.700 1.700 1.700 peak 1143 spectrum 1 weight .10000E+01 volume .30000E-03 ppm1 8.642 ppm2 9.257 CV 1
ASSI { 1147}
(( segid "A " and resid 88 and name HN ))
(( segid "A " and resid 87 and name HN ))
3.000 1.100 1.100 peak 1147 spectrum 1 weight .10000E+01 volume .11332E-02 ppm1 7.539 ppm2 7.876 CV 1
ASSI { 1148}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 55 and name HN ))
2.700 .900 .900 peak 1148 spectrum 1 weight .10000E+01 volume .18634E-02 ppm1 7.495 ppm2 7.711 CV 1
ASSI { 1152}
(( segid "A " and resid 88 and name HN ))
(( segid "A " and resid 88 and name HA ))
2.700 .900 .900 peak 1152 spectrum 1 weight .10000E+01 volume .19422E-02 ppm1 7.536 ppm2 4.133 CV 1
ASSI { 1153}
(( segid "A " and resid 88 and name HN ))
(( segid "A " and resid 87 and name HA ))
3.200 1.300 1.300 peak 1153 spectrum 1 weight .10000E+01 volume .73183E-03 ppm1 7.537 ppm2 4.072 CV 1
ASSI { 1173}
(( segid "A " and resid 88 and name HN ))
( segid "A " and resid 85 and name HG2%)
3.800 1.800 1.800 peak 1173 spectrum 1 weight .10000E+01 volume .24937E-03 ppm1 7.538 ppm2 -.089 CV 1
ASSI { 1175}
(( segid "A " and resid 77 and name HN ))
(( segid "A " and resid 78 and name HA ))
4.000 2.000 2.000 peak 1175 spectrum 1 weight .10000E+01 volume .20466E-03 ppm1 8.708 ppm2 5.011 CV 1
ASSI { 1177}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 49 and name HN ))
3.900 1.900 1.900 peak 1177 spectrum 1 weight .10000E+01 volume .23716E-03 ppm1 7.946 ppm2 8.769 CV 1
ASSI { 1178}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 18 and name HN ))
2.900 1.000 1.000 peak 1178 spectrum 1 weight .10000E+01 volume .14108E-02 ppm1 7.569 ppm2 8.789 CV 1
ASSI { 1183}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 18 and name HA ))
2.100 .600 .600 peak 1183 spectrum 1 weight .10000E+01 volume .87045E-02 ppm1 7.567 ppm2 4.460 CV 1
ASSI { 1185}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 19 and name HB ))
2.500 2.500 3.500 peak 1185 spectrum 1 weight .10000E+01 volume .30136E-02 ppm1 7.569 ppm2 2.159 CV 1
ASSI { 1186}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 22 and name HB3 ))
2.600 .900 .900 peak 1186 spectrum 1 weight .10000E+01 volume .24653E-02 ppm1 7.569 ppm2 2.066 CV 1
ASSI { 1187}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 18 and name HB3 ))
3.100 1.200 1.200 peak 1187 spectrum 1 weight .10000E+01 volume .90964E-03 ppm1 7.567 ppm2 1.904 CV 1
ASSI { 1188}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 17 and name HB2 ))
3.300 3.300 2.700 peak 1188 spectrum 1 weight .10000E+01 volume .63490E-03 ppm1 7.568 ppm2 1.572 CV 1
ASSI { 1189}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 17 and name HB3 ))
3.100 3.100 2.900 peak 1189 spectrum 1 weight .10000E+01 volume .83414E-03 ppm1 7.566 ppm2 1.508 CV 1
ASSI { 1191}
(( segid "A " and resid 19 and name HN ))
( segid "A " and resid 19 and name HG2%)
2.300 .600 .600 peak 1191 spectrum 1 weight .10000E+01 volume .59075E-02 ppm1 7.568 ppm2 .785 CV 1
ASSI { 1195}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 22 and name HA ))
3.100 1.200 1.200 peak 1195 spectrum 1 weight .10000E+01 volume .93440E-03 ppm1 7.569 ppm2 4.174 CV 1
ASSI { 1200}
(( segid "A " and resid 30 and name HN ))
(( segid "A " and resid 31 and name HN ))
2.900 1.000 1.000 peak 1200 spectrum 1 weight .10000E+01 volume .13873E-02 ppm1 7.942 ppm2 8.971 CV 1
ASSI { 1204}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 30 and name HN ))
3.300 1.400 1.400 peak 1204 spectrum 1 weight .10000E+01 volume .56105E-03 ppm1 7.862 ppm2 7.986 CV 1
ASSI { 1214}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 58 and name HN ))
3.900 1.900 1.900 peak 1214 spectrum 1 weight .10000E+01 volume .21386E-03 ppm1 7.692 ppm2 7.130 CV 1
ASSI { 1229}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 33 and name HN ))
3.900 1.900 1.900 peak 1229 spectrum 1 weight .10000E+01 volume .20696E-03 ppm1 7.855 ppm2 7.576 CV 1
ASSI { 1230}
(( segid "A " and resid 29 and name HN ))
(( segid "A " and resid 27 and name HN ))
3.900 1.900 1.900 peak 1230 spectrum 1 weight .10000E+01 volume .21080E-03 ppm1 7.857 ppm2 8.368 CV 1
ASSI { 1242}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 3 and name HN ))
3.500 1.500 1.500 peak 1242 spectrum 1 weight .10000E+01 volume .43275E-03 ppm1 7.820 ppm2 8.138 CV 1
ASSI { 1243}
(( segid "A " and resid 8 and name HN ))
(( segid "A " and resid 6 and name HN ))
4.300 2.400 1.700 peak 1243 spectrum 1 weight .10000E+01 volume .11724E-03 ppm1 8.413 ppm2 8.633 CV 1
ASSI { 1245}
(( segid "A " and resid 9 and name HN ))
(( segid "A " and resid 7 and name HN ))
4.400 2.400 1.600 peak 1245 spectrum 1 weight .10000E+01 volume .11233E-03 ppm1 7.684 ppm2 9.175 CV 1
ASSI { 1249}
(( segid "A " and resid 12 and name HN ))
(( segid "A " and resid 10 and name HN ))
4.200 2.200 1.800 peak 1249 spectrum 1 weight .10000E+01 volume .13647E-03 ppm1 7.597 ppm2 8.827 CV 1
ASSI { 1252}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 10 and name HA ))
2.900 1.100 1.100 peak 1252 spectrum 1 weight .10000E+01 volume .11992E-02 ppm1 8.810 ppm2 3.732 CV 1
ASSI { 1254}
(( segid "A " and resid 10 and name HN ))
(( segid "A " and resid 10 and name HB3 ))
2.900 1.000 1.000 peak 1254 spectrum 1 weight .10000E+01 volume .14204E-02 ppm1 8.810 ppm2 2.754 CV 1
ASSI { 1257}
(( segid "A " and resid 33 and name HN ))
(( segid "A " and resid 31 and name HN ))
3.800 1.800 1.800 peak 1257 spectrum 1 weight .10000E+01 volume .24669E-03 ppm1 7.616 ppm2 8.971 CV 1
ASSI { 1258}
(( segid "A " and resid 33 and name HN ))
(( segid "A " and resid 35 and name HN ))
3.800 1.800 1.800 peak 1258 spectrum 1 weight .10000E+01 volume .26377E-03 ppm1 7.614 ppm2 8.583 CV 1
ASSI { 1261}
(( segid "A " and resid 39 and name HN ))
(( segid "A " and resid 40 and name HN ))
2.600 .800 .800 peak 1261 spectrum 1 weight .10000E+01 volume .27957E-02 ppm1 7.332 ppm2 7.399 CV 1
ASSI { 1263}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 38 and name HN ))
4.300 2.300 1.700 peak 1263 spectrum 1 weight .10000E+01 volume .11943E-03 ppm1 7.389 ppm2 8.944 CV 1
ASSI { 1264}
(( segid "A " and resid 41 and name HN ))
(( segid "A " and resid 43 and name HN ))
3.800 1.800 1.800 peak 1264 spectrum 1 weight .10000E+01 volume .27355E-03 ppm1 7.616 ppm2 8.174 CV 1
ASSI { 1265}
(( segid "A " and resid 49 and name HN ))
(( segid "A " and resid 48 and name HN ))
4.200 2.200 1.800 peak 1265 spectrum 1 weight .10000E+01 volume .13539E-03 ppm1 8.763 ppm2 9.024 CV 1
ASSI { 1267}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 55 and name HN ))
3.400 1.500 1.500 peak 1267 spectrum 1 weight .10000E+01 volume .47689E-03 ppm1 8.273 ppm2 7.739 CV 1
ASSI { 1274}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 57 and name HN ))
3.800 1.800 1.800 peak 1274 spectrum 1 weight .10000E+01 volume .27256E-03 ppm1 8.724 ppm2 8.253 CV 1
ASSI { 1279}
(( segid "A " and resid 63 and name HN ))
(( segid "A " and resid 65 and name HN ))
3.800 1.800 1.800 peak 1279 spectrum 1 weight .10000E+01 volume .27437E-03 ppm1 8.232 ppm2 7.233 CV 1
ASSI { 1280}
(( segid "A " and resid 63 and name HN ))
(( segid "A " and resid 61 and name HN ))
3.500 1.500 1.500 peak 1280 spectrum 1 weight .10000E+01 volume .45998E-03 ppm1 8.232 ppm2 7.080 CV 1
ASSI { 1281}
(( segid "A " and resid 63 and name HN ))
( segid "A " and resid 62 and name HD% )
3.000 1.200 1.200 peak 1281 spectrum 1 weight .10000E+01 volume .99049E-03 ppm1 8.232 ppm2 6.429 CV 1
ASSI { 1283}
(( segid "A " and resid 65 and name HN ))
(( segid "A " and resid 67 and name HN ))
4.200 2.200 1.800 peak 1283 spectrum 1 weight .10000E+01 volume .14851E-03 ppm1 7.214 ppm2 7.747 CV 1
ASSI { 1284}
(( segid "A " and resid 66 and name HN ))
(( segid "A " and resid 64 and name HN ))
3.900 1.900 1.900 peak 1284 spectrum 1 weight .10000E+01 volume .23531E-03 ppm1 7.477 ppm2 7.921 CV 1
ASSI { 1287}
(( segid "A " and resid 82 and name HN ))
(( segid "A " and resid 84 and name HN ))
3.800 1.800 1.800 peak 1287 spectrum 1 weight .10000E+01 volume .25883E-03 ppm1 6.526 ppm2 7.870 CV 1
ASSI { 1295}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 6 and name HN ))
3.700 1.700 1.700 peak 1295 spectrum 1 weight .10000E+01 volume .32380E-03 ppm1 8.089 ppm2 8.649 CV 1
ASSI { 1297}
(( segid "A " and resid 4 and name HN ))
(( segid "A " and resid 5 and name HN ))
3.300 1.400 1.400 peak 1297 spectrum 1 weight .10000E+01 volume .61261E-03 ppm1 7.822 ppm2 8.093 CV 1
ASSI { 1299}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 5 and name HB2 ))
3.900 1.900 1.900 peak 1299 spectrum 1 weight .10000E+01 volume .21786E-03 ppm1 8.643 ppm2 1.227 CV 1
ASSI { 1300}
(( segid "A " and resid 6 and name HN ))
(( segid "A " and resid 5 and name HB3 ))
3.900 1.900 1.900 peak 1300 spectrum 1 weight .10000E+01 volume .21687E-03 ppm1 8.643 ppm2 1.351 CV 1
ASSI { 1301}
(( segid "A " and resid 31 and name HN ))
(( segid "A " and resid 30 and name HA ))
3.800 1.800 1.800 peak 1301 spectrum 1 weight .10000E+01 volume .24649E-03 ppm1 8.959 ppm2 4.411 CV 1
ASSI { 1302}
(( segid "A " and resid 65 and name HN ))
(( segid "A " and resid 64 and name HB2 ))
3.100 1.200 1.200 peak 1302 spectrum 1 weight .10000E+01 volume .87128E-03 ppm1 7.216 ppm2 2.595 CV 1
ASSI { 1303}
(( segid "A " and resid 65 and name HN ))
(( segid "A " and resid 64 and name HB3 ))
3.100 1.200 1.200 peak 1303 spectrum 1 weight .10000E+01 volume .90510E-03 ppm1 7.216 ppm2 2.649 CV 1
ASSI { 1304}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 43 and name HB2 ))
2.800 1.000 1.000 peak 1304 spectrum 1 weight .10000E+01 volume .16460E-02 ppm1 7.686 ppm2 3.898 CV 1
ASSI { 1305}
(( segid "A " and resid 44 and name HN ))
(( segid "A " and resid 43 and name HB3 ))
2.800 1.000 1.000 peak 1305 spectrum 1 weight .10000E+01 volume .14971E-02 ppm1 7.686 ppm2 3.951 CV 1
ASSI { 1307}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 56 and name HB2 ))
2.700 .900 .900 peak 1307 spectrum 1 weight .10000E+01 volume .19109E-02 ppm1 8.238 ppm2 3.310 CV 1
OR { 1307}
(( segid "A " and resid 57 and name HN ))
(( segid "A " and resid 56 and name HB3 ))
ASSI { 1308}
(( segid "A " and resid 82 and name HN ))
(( segid "A " and resid 81 and name HB3 ))
3.700 1.800 1.800 peak 1308 spectrum 1 weight .10000E+01 volume .28180E-03 ppm1 6.528 ppm2 3.072 CV 1
ASSI { 1309}
(( segid "A " and resid 82 and name HN ))
(( segid "A " and resid 81 and name HB2 ))
3.800 1.800 1.800 peak 1309 spectrum 1 weight .10000E+01 volume .26712E-03 ppm1 6.521 ppm2 2.952 CV 1
ASSI { 1311}
(( segid "A " and resid 18 and name HN ))
(( segid "A " and resid 17 and name HB2 ))
3.200 1.300 1.300 peak 1311 spectrum 1 weight .10000E+01 volume .66872E-03 ppm1 8.772 ppm2 1.568 CV 1
ASSI { 1316}
(( segid "A " and resid 28 and name HN ))
(( segid "A " and resid 24 and name HA ))
3.900 1.900 1.900 peak 1316 spectrum 1 weight .10000E+01 volume .23440E-03 ppm1 9.098 ppm2 3.562 CV 1
ASSI { 1321}
(( segid "A " and resid 35 and name HN ))
(( segid "A " and resid 34 and name HA1 ))
3.000 1.100 1.100 peak 1321 spectrum 1 weight .10000E+01 volume .11815E-02 ppm1 8.567 ppm2 3.834 CV 1
ASSI { 1322}
(( segid "A " and resid 35 and name HN ))
(( segid "A " and resid 34 and name HA2 ))
3.000 1.100 1.100 peak 1322 spectrum 1 weight .10000E+01 volume .10738E-02 ppm1 8.567 ppm2 3.883 CV 1
ASSI { 1323}
(( segid "A " and resid 39 and name HN ))
(( segid "A " and resid 40 and name HA ))
3.900 1.900 1.900 peak 1323 spectrum 1 weight .10000E+01 volume .23655E-03 ppm1 7.325 ppm2 4.291 CV 1
ASSI { 1329}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 53 and name HA ))
2.400 .700 .700 peak 1329 spectrum 1 weight .10000E+01 volume .38890E-02 ppm1 8.271 ppm2 4.153 CV 1
ASSI { 1330}
(( segid "A " and resid 53 and name HN ))
(( segid "A " and resid 52 and name HB2 ))
2.600 2.600 3.400 peak 1330 spectrum 1 weight .10000E+01 volume .24220E-02 ppm1 8.271 ppm2 4.016 CV 1
ASSI { 1334}
(( segid "A " and resid 63 and name HN ))
(( segid "A " and resid 63 and name HA ))
2.700 .900 .900 peak 1334 spectrum 1 weight .10000E+01 volume .18725E-02 ppm1 8.234 ppm2 3.371 CV 1
ASSI { 1335}
(( segid "A " and resid 63 and name HN ))
(( segid "A " and resid 62 and name HA ))
2.800 1.000 1.000 peak 1335 spectrum 1 weight .10000E+01 volume .17574E-02 ppm1 8.236 ppm2 3.974 CV 1
ASSI { 1336}
(( segid "A " and resid 63 and name HN ))
(( segid "A " and resid 64 and name HA ))
4.200 2.200 1.800 peak 1336 spectrum 1 weight .10000E+01 volume .14439E-03 ppm1 8.233 ppm2 4.342 CV 1
ASSI { 1337}
(( segid "A " and resid 71 and name HN ))
(( segid "A " and resid 71 and name HA ))
3.000 1.100 1.100 peak 1337 spectrum 1 weight .10000E+01 volume .11766E-02 ppm1 7.986 ppm2 5.021 CV 1
ASSI { 1340}
(( segid "A " and resid 71 and name HN ))
(( segid "A " and resid 70 and name HA2 ))
2.900 1.100 1.100 peak 1340 spectrum 1 weight .10000E+01 volume .12714E-02 ppm1 7.987 ppm2 3.777 CV 1
ASSI { 1341}
(( segid "A " and resid 71 and name HN ))
(( segid "A " and resid 71 and name HB2 ))
2.800 1.000 1.000 peak 1341 spectrum 1 weight .10000E+01 volume .15788E-02 ppm1 7.986 ppm2 3.039 CV 1
ASSI { 1342}
(( segid "A " and resid 71 and name HN ))
(( segid "A " and resid 71 and name HB3 ))
3.000 1.100 1.100 peak 1342 spectrum 1 weight .10000E+01 volume .11019E-02 ppm1 7.986 ppm2 2.466 CV 1
ASSI { 1356}
(( segid "A " and resid 82 and name HN ))
(( segid "A " and resid 83 and name HA ))
3.300 3.300 2.700 peak 1356 spectrum 1 weight .10000E+01 volume .64644E-03 ppm1 6.525 ppm2 3.700 CV 1
ASSI { 1357}
(( segid "A " and resid 89 and name HN ))
(( segid "A " and resid 89 and name HA ))
2.900 1.100 1.100 peak 1357 spectrum 1 weight .10000E+01 volume .12727E-02 ppm1 8.888 ppm2 4.750 CV 1
ASSI { 1358}
(( segid "A " and resid 89 and name HN ))
(( segid "A " and resid 88 and name HA ))
2.700 .900 .900 peak 1358 spectrum 1 weight .10000E+01 volume .19244E-02 ppm1 8.890 ppm2 4.123 CV 1
ASSI { 1360}
(( segid "A " and resid 90 and name HN ))
(( segid "A " and resid 89 and name HA ))
3.000 1.100 1.100 peak 1360 spectrum 1 weight .10000E+01 volume .11431E-02 ppm1 8.880 ppm2 4.757 CV 1
ASSI { 1361}
(( segid "A " and resid 90 and name HN ))
(( segid "A " and resid 90 and name HA ))
2.800 1.000 1.000 peak 1361 spectrum 1 weight .10000E+01 volume .16629E-02 ppm1 8.880 ppm2 4.122 CV 1
ASSI { 1362}
(( segid "A " and resid 91 and name HN ))
(( segid "A " and resid 90 and name HA ))
2.800 1.000 1.000 peak 1362 spectrum 1 weight .10000E+01 volume .16572E-02 ppm1 7.858 ppm2 4.125 CV 1
ASSI { 1363}
(( segid "A " and resid 91 and name HN ))
(( segid "A " and resid 92 and name HA ))
3.600 1.600 1.600 peak 1363 spectrum 1 weight .10000E+01 volume .34649E-03 ppm1 7.858 ppm2 4.482 CV 1
ASSI { 1364}
(( segid "A " and resid 92 and name HN ))
(( segid "A " and resid 93 and name HA ))
3.800 1.800 1.800 peak 1364 spectrum 1 weight .10000E+01 volume .27999E-03 ppm1 8.809 ppm2 4.352 CV 1
ASSI { 1365}
(( segid "A " and resid 99 and name HN ))
(( segid "A " and resid 98 and name HA ))
2.400 .700 .700 peak 1365 spectrum 1 weight .10000E+01 volume .40771E-02 ppm1 8.041 ppm2 4.324 CV 1
ASSI { 1366}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 47 and name HA ))
3.800 1.800 1.800 peak 1366 spectrum 1 weight .10000E+01 volume .27681E-03 ppm1 7.948 ppm2 4.402 CV 1
ASSI { 1367}
(( segid "A " and resid 50 and name HN ))
(( segid "A " and resid 51 and name HA ))
4.000 2.000 2.000 peak 1367 spectrum 1 weight .10000E+01 volume .19538E-03 ppm1 7.953 ppm2 3.614 CV 1
ASSI { 1370}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 40 and name HB2 ))
3.900 1.900 1.900 peak 1370 spectrum 1 weight .10000E+01 volume .23754E-03 ppm1 8.157 ppm2 2.995 CV 1
ASSI { 1376}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 12 and name HB3 ))
3.800 1.800 1.800 peak 1376 spectrum 1 weight .10000E+01 volume .27792E-03 ppm1 7.300 ppm2 2.198 CV 1
OR { 1376}
(( segid "A " and resid 14 and name HN ))
(( segid "A " and resid 12 and name HB2 ))
ASSI { 1388}
(( segid "A " and resid 10 and name HN ))
( segid "A " and resid 5 and name HD1%)
3.800 1.800 1.800 peak 1388 spectrum 1 weight .10000E+01 volume .25041E-03 ppm1 8.813 ppm2 .025 CV 1
ASSI { 1408}
(( segid "A " and resid 89 and name HN ))
( segid "A " and resid 86 and name HG2%)
3.100 3.100 2.900 peak 1408 spectrum 1 weight .10000E+01 volume .85683E-03 ppm1 8.891 ppm2 .848 CV 1
ASSI { 1413}
(( segid "A " and resid 89 and name HE1 ))
(( segid "A " and resid 89 and name HA ))
3.000 3.000 3.000 peak 1413 spectrum 1 weight .10000E+01 volume .10445E-02 ppm1 9.852 ppm2 4.750 CV 1
ASSI { 1414}
(( segid "A " and resid 89 and name HE1 ))
( segid "A " and resid 85 and name HD1%)
3.900 1.900 1.900 peak 1414 spectrum 1 weight .10000E+01 volume .23028E-03 ppm1 9.854 ppm2 .764 CV 1
ASSI { 1415}
(( segid "A " and resid 89 and name HE1 ))
( segid "A " and resid 85 and name HG2%)
2.800 1.000 1.000 peak 1415 spectrum 1 weight .10000E+01 volume .15045E-02 ppm1 9.853 ppm2 -.090 CV 1
ASSI { 1418}
(( segid "A " and resid 89 and name HE1 ))
(( segid "A " and resid 89 and name HZ2 ))
2.500 .800 .800 peak 1418 spectrum 1 weight .10000E+01 volume .30725E-02 ppm1 9.853 ppm2 7.467 CV 1
ASSI { 1419}
(( segid "A " and resid 89 and name HE1 ))
(( segid "A " and resid 89 and name HD1 ))
2.300 .700 .700 peak 1419 spectrum 1 weight .10000E+01 volume .52021E-02 ppm1 9.853 ppm2 7.133 CV 1
ASSI { 1420}
(( segid "A " and resid 89 and name HE1 ))
(( segid "A " and resid 89 and name HH2 ))
3.300 3.300 2.700 peak 1420 spectrum 1 weight .10000E+01 volume .60642E-03 ppm1 9.853 ppm2 6.848 CV 1
ASSI { 1422}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 59 and name HZ2 ))
2.600 .900 .900 peak 1422 spectrum 1 weight .10000E+01 volume .24083E-02 ppm1 9.981 ppm2 7.601 CV 1
ASSI { 1423}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 59 and name HH2 ))
3.800 1.800 1.800 peak 1423 spectrum 1 weight .10000E+01 volume .27133E-03 ppm1 9.978 ppm2 7.301 CV 1
ASSI { 1424}
(( segid "A " and resid 59 and name HE1 ))
(( segid "A " and resid 59 and name HD1 ))
2.300 .700 .700 peak 1424 spectrum 1 weight .10000E+01 volume .50411E-02 ppm1 9.981 ppm2 7.115 CV 1
ASSI { 1432}
(( segid "A " and resid 76 and name HN ))
(( segid "A " and resid 74 and name HB ))
3.900 1.900 1.900 peak 1432 spectrum 1 weight .10000E+01 volume .24034E-03 ppm1 9.084 ppm2 1.926 CV 1
ASSI { 1439}
(( segid "A " and resid 100 and name HN ))
(( segid "A " and resid 100 and name HB2 ))
2.600 .800 .800 peak 1439 spectrum 1 weight .10000E+01 volume .25351E-02 ppm1 8.230 ppm2 1.799 CV 1
ASSI { 1440}
(( segid "A " and resid 100 and name HN ))
(( segid "A " and resid 100 and name HG2 ))
3.100 1.200 1.200 peak 1440 spectrum 1 weight .10000E+01 volume .86302E-03 ppm1 8.230 ppm2 1.463 CV 1
ASSI { 1454}
(( segid "A " and resid 97 and name HE21))
(( segid "A " and resid 97 and name HE22))
1.800 .400 .400 peak 1454 spectrum 1 weight .10000E+01 volume .26398E-01 ppm1 7.067 ppm2 6.647 CV 1
ASSI { 1468}
(( segid "A " and resid 16 and name HN ))
(( segid "A " and resid 17 and name HB3 ))
3.900 1.900 1.900 peak 1468 spectrum 1 weight .10000E+01 volume .22920E-03 ppm1 8.913 ppm2 1.505 CV 1
ASSI { 1469}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 27 and name HN ))
2.700 .900 .900 peak 1469 spectrum 1 weight .10000E+01 volume .19018E-02 ppm1 8.116 ppm2 8.368 CV 1
ASSI { 1472}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 23 and name HA ))
3.400 1.400 1.400 peak 1472 spectrum 1 weight .10000E+01 volume .50907E-03 ppm1 8.115 ppm2 3.796 CV 1
ASSI { 1473}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 26 and name HA ))
2.900 1.000 1.000 peak 1473 spectrum 1 weight .10000E+01 volume .14525E-02 ppm1 8.117 ppm2 2.698 CV 1
ASSI { 1474}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 26 and name HB ))
2.600 .800 .800 peak 1474 spectrum 1 weight .10000E+01 volume .26522E-02 ppm1 8.115 ppm2 1.553 CV 1
ASSI { 1478}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 26 and name HG12))
4.100 2.100 1.900 peak 1478 spectrum 1 weight .10000E+01 volume .16304E-03 ppm1 8.117 ppm2 1.089 CV 1
ASSI { 1479}
(( segid "A " and resid 26 and name HN ))
( segid "A " and resid 27 and name HB% )
3.000 1.100 1.100 peak 1479 spectrum 1 weight .10000E+01 volume .11576E-02 ppm1 8.114 ppm2 1.665 CV 1
ASSI { 1484}
(( segid "A " and resid 26 and name HN ))
( segid "A " and resid 26 and name HG2%)
2.800 1.000 1.000 peak 1484 spectrum 1 weight .10000E+01 volume .15614E-02 ppm1 8.112 ppm2 .627 CV 1
ASSI { 1485}
(( segid "A " and resid 26 and name HN ))
( segid "A " and resid 26 and name HD1%)
2.800 1.000 1.000 peak 1485 spectrum 1 weight .10000E+01 volume .15132E-02 ppm1 8.120 ppm2 .683 CV 1
ASSI { 1486}
(( segid "A " and resid 30 and name HN ))
( segid "A " and resid 30 and name HG2%)
2.700 .900 .900 peak 1486 spectrum 1 weight .10000E+01 volume .22364E-02 ppm1 7.942 ppm2 1.003 CV 1
ASSI { 1487}
(( segid "A " and resid 30 and name HN ))
( segid "A " and resid 30 and name HG1%)
2.500 .800 .800 peak 1487 spectrum 1 weight .10000E+01 volume .35713E-02 ppm1 7.942 ppm2 .915 CV 1
ASSI { 1496}
(( segid "A " and resid 30 and name HN ))
(( segid "A " and resid 29 and name HA2 ))
3.200 1.300 1.300 peak 1496 spectrum 1 weight .10000E+01 volume .76195E-03 ppm1 7.942 ppm2 4.001 CV 1
ASSI { 1498}
(( segid "A " and resid 30 and name HN ))
(( segid "A " and resid 30 and name HA ))
2.900 1.100 1.100 peak 1498 spectrum 1 weight .10000E+01 volume .13110E-02 ppm1 7.942 ppm2 4.410 CV 1
ASSI { 1499}
(( segid "A " and resid 63 and name HN ))
(( segid "A " and resid 62 and name HB3 ))
3.000 1.100 1.100 peak 1499 spectrum 1 weight .10000E+01 volume .10701E-02 ppm1 8.233 ppm2 2.871 CV 1
ASSI { 1500}
(( segid "A " and resid 63 and name HN ))
(( segid "A " and resid 62 and name HB2 ))
3.000 1.100 1.100 peak 1500 spectrum 1 weight .10000E+01 volume .10474E-02 ppm1 8.232 ppm2 2.677 CV 1
ASSI { 1545}
(( segid "A " and resid 48 and name HE ))
(( segid "A " and resid 48 and name HD3 ))
3.700 1.700 1.700 peak 1545 spectrum 1 weight .10000E+01 volume .30313E-03 ppm1 7.106 ppm2 3.133 CV 1
ASSI { 1572}
(( segid "A " and resid 4 and name HE ))
(( segid "A " and resid 4 and name HD3 ))
3.900 1.900 1.900 peak 1572 spectrum 1 weight .10000E+01 volume .22310E-03 ppm1 6.644 ppm2 3.339 CV 1
ASSI { 1577}
(( segid "A " and resid 81 and name HN ))
(( segid "A " and resid 81 and name HA ))
3.400 1.400 1.400 peak 1577 spectrum 1 weight .10000E+01 volume .53217E-03 ppm1 8.499 ppm2 4.330 CV 1
ASSI { 1578}
(( segid "A " and resid 81 and name HN ))
(( segid "A " and resid 80 and name HA ))
3.900 1.900 1.900 peak 1578 spectrum 1 weight .10000E+01 volume .22079E-03 ppm1 8.500 ppm2 3.696 CV 1
ASSI { 1579}
(( segid "A " and resid 81 and name HN ))
(( segid "A " and resid 81 and name HB3 ))
3.500 1.500 1.500 peak 1579 spectrum 1 weight .10000E+01 volume .42284E-03 ppm1 8.500 ppm2 3.065 CV 1
ASSI { 1580}
(( segid "A " and resid 81 and name HN ))
(( segid "A " and resid 81 and name HB2 ))
3.600 1.600 1.600 peak 1580 spectrum 1 weight .10000E+01 volume .35672E-03 ppm1 8.503 ppm2 2.944 CV 1
ASSI { 1605}
(( segid "A " and resid 5 and name HN ))
( segid "A " and resid 5 and name HD1%)
3.300 1.400 1.400 peak 1605 spectrum 1 weight .10000E+01 volume .56394E-03 ppm1 8.079 ppm2 .026 CV 1
ASSI { 1606}
(( segid "A " and resid 4 and name HN ))
( segid "A " and resid 5 and name HD1%)
4.500 2.600 1.500 peak 1606 spectrum 1 weight .10000E+01 volume .89644E-04 ppm1 7.816 ppm2 .033 CV 1
ASSI { 1607}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 4 and name HA ))
2.500 .800 .800 peak 1607 spectrum 1 weight .10000E+01 volume .30198E-02 ppm1 8.079 ppm2 5.046 CV 1
ASSI { 1608}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 5 and name HA ))
3.000 1.200 1.200 peak 1608 spectrum 1 weight .10000E+01 volume .10016E-02 ppm1 8.081 ppm2 4.825 CV 1
ASSI { 1613}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 4 and name HD3 ))
3.600 1.600 1.600 peak 1613 spectrum 1 weight .10000E+01 volume .35985E-03 ppm1 8.082 ppm2 3.342 CV 1
ASSI { 1614}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 5 and name HB3 ))
2.900 1.000 1.000 peak 1614 spectrum 1 weight .10000E+01 volume .13783E-02 ppm1 8.080 ppm2 1.296 CV 1
ASSI { 1615}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 4 and name HB3 ))
3.000 1.100 1.100 peak 1615 spectrum 1 weight .10000E+01 volume .10181E-02 ppm1 8.080 ppm2 1.868 CV 1
ASSI { 1618}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 28 and name HN ))
5.000 3.100 1.000 peak 1618 spectrum 1 weight .10000E+01 volume .49587E-04 ppm1 8.116 ppm2 9.104 CV 1
ASSI { 1622}
(( segid "A " and resid 85 and name HN ))
(( segid "A " and resid 82 and name HA ))
3.500 1.500 1.500 peak 1622 spectrum 1 weight .10000E+01 volume .46038E-03 ppm1 6.800 ppm2 3.650 CV 1
ASSI { 1623}
(( segid "A " and resid 85 and name HN ))
( segid "A " and resid 83 and name HB% )
4.000 2.000 2.000 peak 1623 spectrum 1 weight .10000E+01 volume .18994E-03 ppm1 6.795 ppm2 1.220 CV 1
ASSI { 1624}
(( segid "A " and resid 83 and name HN ))
(( segid "A " and resid 84 and name HB3 ))
3.800 1.800 1.800 peak 1624 spectrum 1 weight .10000E+01 volume .27008E-03 ppm1 7.978 ppm2 3.070 CV 1
ASSI { 1627}
(( segid "A " and resid 74 and name HN ))
(( segid "A " and resid 75 and name HA ))
3.900 1.900 1.900 peak 1627 spectrum 1 weight .10000E+01 volume .23271E-03 ppm1 9.186 ppm2 5.524 CV 1
ASSI { 1}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 14 and name HA ))
2.400 2.400 3.600 peak 1 spectrum 1 weight .10000E+01 volume .39826E-02 ppm1 7.159 ppm2 4.023 CV 1
ASSI { 3}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 17 and name HN ))
3.600 1.700 1.700 peak 3 spectrum 1 weight .10000E+01 volume .33210E-03 ppm1 7.159 ppm2 7.566 CV 1
ASSI { 15}
(( segid "B " and resid 101 and name HN ))
(( segid "B " and resid 101 and name HG3 ))
3.100 1.200 1.200 peak 15 spectrum 1 weight .10000E+01 volume .88983E-03 ppm1 7.999 ppm2 1.611 CV 1
OR { 15}
(( segid "B " and resid 101 and name HN ))
(( segid "B " and resid 101 and name HG2 ))
ASSI { 16}
(( segid "B " and resid 101 and name HN ))
(( segid "B " and resid 101 and name HG3 ))
2.800 .900 .900 peak 16 spectrum 1 weight .10000E+01 volume .17909E-02 ppm1 8.000 ppm2 1.714 CV 1
ASSI { 17}
(( segid "B " and resid 101 and name HN ))
(( segid "B " and resid 100 and name HB2 ))
3.200 1.300 1.300 peak 17 spectrum 1 weight .10000E+01 volume .75040E-03 ppm1 8.000 ppm2 1.867 CV 1
ASSI { 18}
(( segid "B " and resid 101 and name HN ))
(( segid "B " and resid 101 and name HA ))
2.800 1.000 1.000 peak 18 spectrum 1 weight .10000E+01 volume .15758E-02 ppm1 8.000 ppm2 4.205 CV 1
ASSI { 19}
(( segid "B " and resid 101 and name HN ))
(( segid "B " and resid 100 and name HA ))
2.200 .600 .600 peak 19 spectrum 1 weight .10000E+01 volume .73102E-02 ppm1 8.000 ppm2 4.351 CV 1
ASSI { 21}
(( segid "B " and resid 101 and name HN ))
(( segid "B " and resid 100 and name HN ))
3.400 1.400 1.400 peak 21 spectrum 1 weight .10000E+01 volume .51319E-03 ppm1 7.999 ppm2 8.244 CV 1
ASSI { 24}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 17 and name HA ))
2.500 .800 .800 peak 24 spectrum 1 weight .10000E+01 volume .35961E-02 ppm1 8.774 ppm2 4.333 CV 1
ASSI { 25}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 18 and name HA ))
2.800 1.000 1.000 peak 25 spectrum 1 weight .10000E+01 volume .15478E-02 ppm1 8.774 ppm2 4.460 CV 1
ASSI { 29}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 18 and name HG3 ))
3.000 1.100 1.100 peak 29 spectrum 1 weight .10000E+01 volume .10903E-02 ppm1 8.774 ppm2 2.058 CV 1
ASSI { 30}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 18 and name HB3 ))
2.800 1.000 1.000 peak 30 spectrum 1 weight .10000E+01 volume .14839E-02 ppm1 8.773 ppm2 1.903 CV 1
ASSI { 31}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 17 and name HB3 ))
3.100 1.200 1.200 peak 31 spectrum 1 weight .10000E+01 volume .92697E-03 ppm1 8.773 ppm2 1.507 CV 1
ASSI { 34}
(( segid "B " and resid 18 and name HN ))
( segid "B " and resid 17 and name HD1%)
3.300 1.400 1.400 peak 34 spectrum 1 weight .10000E+01 volume .55815E-03 ppm1 8.774 ppm2 .738 CV 1
ASSI { 35}
(( segid "B " and resid 50 and name HN ))
(( segid "B " and resid 52 and name HN ))
3.500 1.600 1.600 peak 35 spectrum 1 weight .10000E+01 volume .39318E-03 ppm1 7.952 ppm2 8.344 CV 1
ASSI { 37}
(( segid "B " and resid 50 and name HN ))
(( segid "B " and resid 51 and name HN ))
2.800 1.000 1.000 peak 37 spectrum 1 weight .10000E+01 volume .16440E-02 ppm1 7.950 ppm2 7.748 CV 1
ASSI { 40}
(( segid "B " and resid 50 and name HN ))
(( segid "B " and resid 49 and name HA2 ))
2.800 1.000 1.000 peak 40 spectrum 1 weight .10000E+01 volume .15358E-02 ppm1 7.950 ppm2 3.885 CV 1
ASSI { 42}
(( segid "B " and resid 50 and name HN ))
( segid "B " and resid 50 and name HB% )
2.300 .700 .700 peak 42 spectrum 1 weight .10000E+01 volume .46906E-02 ppm1 7.949 ppm2 1.537 CV 1
ASSI { 66}
(( segid "B " and resid 3 and name HN ))
(( segid "B " and resid 2 and name HA ))
2.300 .700 .700 peak 66 spectrum 1 weight .10000E+01 volume .47854E-02 ppm1 8.141 ppm2 4.236 CV 1
ASSI { 67}
(( segid "B " and resid 3 and name HN ))
(( segid "B " and resid 3 and name HA ))
3.000 1.100 1.100 peak 67 spectrum 1 weight .10000E+01 volume .11386E-02 ppm1 8.141 ppm2 3.839 CV 1
ASSI { 68}
(( segid "B " and resid 3 and name HN ))
(( segid "B " and resid 2 and name HB2 ))
3.000 1.100 1.100 peak 68 spectrum 1 weight .10000E+01 volume .11291E-02 ppm1 8.141 ppm2 1.708 CV 1
ASSI { 69}
(( segid "B " and resid 3 and name HN ))
(( segid "B " and resid 2 and name HG3 ))
3.700 1.700 1.700 peak 69 spectrum 1 weight .10000E+01 volume .32066E-03 ppm1 8.141 ppm2 1.408 CV 1
ASSI { 70}
(( segid "B " and resid 3 and name HN ))
(( segid "B " and resid 3 and name HB3 ))
2.900 1.000 1.000 peak 70 spectrum 1 weight .10000E+01 volume .14072E-02 ppm1 8.142 ppm2 1.167 CV 1
ASSI { 71}
(( segid "B " and resid 3 and name HN ))
(( segid "B " and resid 3 and name HB2 ))
3.100 1.200 1.200 peak 71 spectrum 1 weight .10000E+01 volume .93233E-03 ppm1 8.141 ppm2 .887 CV 1
ASSI { 72}
(( segid "B " and resid 3 and name HN ))
(( segid "B " and resid 3 and name HD3 ))
3.000 3.000 3.000 peak 72 spectrum 1 weight .10000E+01 volume .11039E-02 ppm1 8.142 ppm2 .751 CV 1
ASSI { 73}
(( segid "B " and resid 3 and name HN ))
(( segid "B " and resid 3 and name HG2 ))
3.300 1.400 1.400 peak 73 spectrum 1 weight .10000E+01 volume .61633E-03 ppm1 8.142 ppm2 .338 CV 1
ASSI { 77}
(( segid "B " and resid 15 and name HN ))
( segid "B " and resid 13 and name HB% )
3.400 1.400 1.400 peak 77 spectrum 1 weight .10000E+01 volume .51072E-03 ppm1 7.158 ppm2 1.370 CV 1
ASSI { 78}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 14 and name HG12))
3.100 1.200 1.200 peak 78 spectrum 1 weight .10000E+01 volume .88695E-03 ppm1 7.159 ppm2 1.199 CV 1
ASSI { 79}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 14 and name HG13))
3.000 1.100 1.100 peak 79 spectrum 1 weight .10000E+01 volume .11151E-02 ppm1 7.159 ppm2 1.045 CV 1
ASSI { 80}
(( segid "B " and resid 15 and name HN ))
( segid "B " and resid 14 and name HD1%)
3.100 1.200 1.200 peak 80 spectrum 1 weight .10000E+01 volume .84198E-03 ppm1 7.159 ppm2 .712 CV 1
ASSI { 81}
(( segid "B " and resid 15 and name HN ))
( segid "B " and resid 14 and name HG2%)
3.200 1.300 1.300 peak 81 spectrum 1 weight .10000E+01 volume .77226E-03 ppm1 7.160 ppm2 .260 CV 1
ASSI { 82}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 15 and name HG2 ))
2.600 2.600 3.400 peak 82 spectrum 1 weight .10000E+01 volume .26584E-02 ppm1 7.159 ppm2 2.481 CV 1
ASSI { 83}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 15 and name HB2 ))
2.300 .600 .600 peak 83 spectrum 1 weight .10000E+01 volume .56394E-02 ppm1 7.159 ppm2 2.089 CV 1
ASSI { 84}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 14 and name HB ))
3.300 1.400 1.400 peak 84 spectrum 1 weight .10000E+01 volume .57714E-03 ppm1 7.158 ppm2 1.903 CV 1
ASSI { 87}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 14 and name HN ))
2.600 .800 .800 peak 87 spectrum 1 weight .10000E+01 volume .25024E-02 ppm1 7.159 ppm2 7.308 CV 1
ASSI { 88}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 16 and name HN ))
3.500 1.600 1.600 peak 88 spectrum 1 weight .10000E+01 volume .39967E-03 ppm1 7.162 ppm2 8.928 CV 1
ASSI { 92}
(( segid "B " and resid 37 and name HN ))
(( segid "B " and resid 36 and name HA ))
2.800 1.000 1.000 peak 92 spectrum 1 weight .10000E+01 volume .17132E-02 ppm1 8.305 ppm2 3.964 CV 1
ASSI { 100}
(( segid "B " and resid 67 and name HN ))
(( segid "B " and resid 66 and name HN ))
3.000 1.100 1.100 peak 100 spectrum 1 weight .10000E+01 volume .10408E-02 ppm1 7.719 ppm2 7.491 CV 1
ASSI { 101}
(( segid "B " and resid 67 and name HN ))
(( segid "B " and resid 66 and name HA ))
2.500 .800 .800 peak 101 spectrum 1 weight .10000E+01 volume .32763E-02 ppm1 7.719 ppm2 4.546 CV 1
ASSI { 102}
(( segid "B " and resid 67 and name HN ))
(( segid "B " and resid 64 and name HA ))
3.700 1.700 1.700 peak 102 spectrum 1 weight .10000E+01 volume .31468E-03 ppm1 7.720 ppm2 4.333 CV 1
ASSI { 107}
(( segid "B " and resid 67 and name HN ))
(( segid "B " and resid 66 and name HB3 ))
3.400 1.500 1.500 peak 107 spectrum 1 weight .10000E+01 volume .49298E-03 ppm1 7.718 ppm2 2.426 CV 1
ASSI { 108}
(( segid "B " and resid 67 and name HN ))
(( segid "B " and resid 66 and name HB2 ))
3.500 1.500 1.500 peak 108 spectrum 1 weight .10000E+01 volume .41872E-03 ppm1 7.716 ppm2 2.010 CV 1
ASSI { 111}
(( segid "B " and resid 67 and name HN ))
(( segid "B " and resid 65 and name HA ))
3.900 1.900 1.900 peak 111 spectrum 1 weight .10000E+01 volume .21303E-03 ppm1 7.716 ppm2 4.121 CV 1
ASSI { 112}
(( segid "B " and resid 67 and name HN ))
(( segid "B " and resid 67 and name HA ))
3.000 1.100 1.100 peak 112 spectrum 1 weight .10000E+01 volume .10305E-02 ppm1 7.716 ppm2 4.463 CV 1
ASSI { 114}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 13 and name HN ))
2.900 1.000 1.000 peak 114 spectrum 1 weight .10000E+01 volume .14291E-02 ppm1 7.294 ppm2 8.106 CV 1
ASSI { 117}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 14 and name HA ))
2.900 1.000 1.000 peak 117 spectrum 1 weight .10000E+01 volume .14558E-02 ppm1 7.295 ppm2 4.059 CV 1
ASSI { 120}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 12 and name HB2 ))
3.400 3.400 2.600 peak 120 spectrum 1 weight .10000E+01 volume .48349E-03 ppm1 7.295 ppm2 2.107 CV 1
ASSI { 121}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 14 and name HB ))
3.100 1.200 1.200 peak 121 spectrum 1 weight .10000E+01 volume .90098E-03 ppm1 7.295 ppm2 1.902 CV 1
ASSI { 122}
(( segid "B " and resid 14 and name HN ))
( segid "B " and resid 13 and name HB% )
2.700 .900 .900 peak 122 spectrum 1 weight .10000E+01 volume .18961E-02 ppm1 7.294 ppm2 1.368 CV 1
ASSI { 123}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 14 and name HG12))
2.700 .900 .900 peak 123 spectrum 1 weight .10000E+01 volume .22252E-02 ppm1 7.294 ppm2 1.199 CV 1
ASSI { 124}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 14 and name HG13))
2.700 .900 .900 peak 124 spectrum 1 weight .10000E+01 volume .18469E-02 ppm1 7.295 ppm2 1.045 CV 1
ASSI { 125}
(( segid "B " and resid 14 and name HN ))
( segid "B " and resid 14 and name HD1%)
2.800 1.000 1.000 peak 125 spectrum 1 weight .10000E+01 volume .15511E-02 ppm1 7.294 ppm2 .711 CV 1
ASSI { 126}
(( segid "B " and resid 14 and name HN ))
( segid "B " and resid 14 and name HG2%)
2.600 .800 .800 peak 126 spectrum 1 weight .10000E+01 volume .25652E-02 ppm1 7.294 ppm2 .260 CV 1
ASSI { 127}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 32 and name HN ))
3.300 1.400 1.400 peak 127 spectrum 1 weight .10000E+01 volume .57013E-03 ppm1 6.872 ppm2 8.101 CV 1
ASSI { 128}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 32 and name HA ))
3.600 1.600 1.600 peak 128 spectrum 1 weight .10000E+01 volume .35978E-03 ppm1 6.872 ppm2 4.732 CV 1
ASSI { 129}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 33 and name HA ))
3.100 1.200 1.200 peak 129 spectrum 1 weight .10000E+01 volume .89437E-03 ppm1 6.873 ppm2 4.619 CV 1
ASSI { 133}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 35 and name HA ))
3.200 3.200 2.800 peak 133 spectrum 1 weight .10000E+01 volume .78959E-03 ppm1 6.873 ppm2 4.416 CV 1
ASSI { 135}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 33 and name HN ))
2.900 1.000 1.000 peak 135 spectrum 1 weight .10000E+01 volume .13284E-02 ppm1 6.873 ppm2 7.633 CV 1
ASSI { 136}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 35 and name HN ))
2.700 .900 .900 peak 136 spectrum 1 weight .10000E+01 volume .18754E-02 ppm1 6.873 ppm2 8.579 CV 1
ASSI { 137}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 33 and name HB2 ))
3.200 1.300 1.300 peak 137 spectrum 1 weight .10000E+01 volume .68769E-03 ppm1 6.873 ppm2 3.332 CV 1
ASSI { 138}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 33 and name HB3 ))
3.400 1.400 1.400 peak 138 spectrum 1 weight .10000E+01 volume .54619E-03 ppm1 6.871 ppm2 2.797 CV 1
ASSI { 141}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 29 and name HA1 ))
2.700 .900 .900 peak 141 spectrum 1 weight .10000E+01 volume .21802E-02 ppm1 7.858 ppm2 3.830 CV 1
ASSI { 142}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 28 and name HB3 ))
2.900 1.000 1.000 peak 142 spectrum 1 weight .10000E+01 volume .14039E-02 ppm1 7.858 ppm2 1.522 CV 1
ASSI { 145}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 29 and name HA2 ))
2.700 .900 .900 peak 145 spectrum 1 weight .10000E+01 volume .21032E-02 ppm1 7.857 ppm2 3.999 CV 1
ASSI { 146}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 28 and name HA ))
3.300 1.400 1.400 peak 146 spectrum 1 weight .10000E+01 volume .61756E-03 ppm1 7.858 ppm2 2.881 CV 1
ASSI { 147}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 26 and name HA ))
3.600 1.700 1.700 peak 147 spectrum 1 weight .10000E+01 volume .33378E-03 ppm1 7.856 ppm2 2.695 CV 1
ASSI { 151}
(( segid "B " and resid 47 and name HN ))
(( segid "B " and resid 46 and name HA ))
2.500 .800 .800 peak 151 spectrum 1 weight .10000E+01 volume .33349E-02 ppm1 7.966 ppm2 4.787 CV 1
ASSI { 152}
(( segid "B " and resid 47 and name HN ))
(( segid "B " and resid 47 and name HA ))
2.900 1.100 1.100 peak 152 spectrum 1 weight .10000E+01 volume .13127E-02 ppm1 7.967 ppm2 4.404 CV 1
ASSI { 154}
(( segid "B " and resid 47 and name HN ))
(( segid "B " and resid 46 and name HB3 ))
2.700 .900 .900 peak 154 spectrum 1 weight .10000E+01 volume .18349E-02 ppm1 7.966 ppm2 1.638 CV 1
ASSI { 156}
(( segid "B " and resid 47 and name HN ))
(( segid "B " and resid 46 and name HB2 ))
2.400 2.400 3.600 peak 156 spectrum 1 weight .10000E+01 volume .41625E-02 ppm1 7.966 ppm2 1.376 CV 1
ASSI { 161}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 19 and name HN ))
3.100 1.200 1.200 peak 161 spectrum 1 weight .10000E+01 volume .89314E-03 ppm1 8.498 ppm2 7.583 CV 1
ASSI { 165}
(( segid "B " and resid 45 and name HN ))
(( segid "B " and resid 46 and name HA ))
3.500 1.500 1.500 peak 165 spectrum 1 weight .10000E+01 volume .41707E-03 ppm1 7.612 ppm2 4.781 CV 1
ASSI { 166}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 19 and name HA ))
2.400 .700 .700 peak 166 spectrum 1 weight .10000E+01 volume .41914E-02 ppm1 8.497 ppm2 4.605 CV 1
ASSI { 167}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 18 and name HA ))
3.600 3.600 2.400 peak 167 spectrum 1 weight .10000E+01 volume .37743E-03 ppm1 8.497 ppm2 4.464 CV 1
ASSI { 168}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 20 and name HA2 ))
2.700 .900 .900 peak 168 spectrum 1 weight .10000E+01 volume .21753E-02 ppm1 8.497 ppm2 4.222 CV 1
ASSI { 169}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 20 and name HA1 ))
2.600 .800 .800 peak 169 spectrum 1 weight .10000E+01 volume .25198E-02 ppm1 8.497 ppm2 4.037 CV 1
ASSI { 170}
(( segid "B " and resid 20 and name HN ))
(( segid "B " and resid 19 and name HB ))
2.700 .900 .900 peak 170 spectrum 1 weight .10000E+01 volume .20656E-02 ppm1 8.498 ppm2 2.170 CV 1
ASSI { 172}
(( segid "B " and resid 20 and name HN ))
( segid "B " and resid 19 and name HG1%)
2.900 1.000 1.000 peak 172 spectrum 1 weight .10000E+01 volume .13404E-02 ppm1 8.499 ppm2 .880 CV 1
ASSI { 174}
(( segid "B " and resid 45 and name HN ))
(( segid "B " and resid 43 and name HN ))
3.700 1.700 1.700 peak 174 spectrum 1 weight .10000E+01 volume .32059E-03 ppm1 7.613 ppm2 8.172 CV 1
ASSI { 177}
(( segid "B " and resid 45 and name HN ))
(( segid "B " and resid 44 and name HA ))
3.000 1.100 1.100 peak 177 spectrum 1 weight .10000E+01 volume .10912E-02 ppm1 7.612 ppm2 4.529 CV 1
ASSI { 179}
(( segid "B " and resid 45 and name HN ))
(( segid "B " and resid 45 and name HA1 ))
2.200 .600 .600 peak 179 spectrum 1 weight .10000E+01 volume .70420E-02 ppm1 7.613 ppm2 3.945 CV 1
ASSI { 180}
(( segid "B " and resid 45 and name HN ))
(( segid "B " and resid 44 and name HB3 ))
3.100 1.200 1.200 peak 180 spectrum 1 weight .10000E+01 volume .80815E-03 ppm1 7.613 ppm2 1.824 CV 1
ASSI { 181}
(( segid "B " and resid 45 and name HN ))
(( segid "B " and resid 44 and name HB2 ))
3.000 1.100 1.100 peak 181 spectrum 1 weight .10000E+01 volume .10157E-02 ppm1 7.612 ppm2 1.513 CV 1
ASSI { 182}
(( segid "B " and resid 45 and name HN ))
(( segid "B " and resid 46 and name HB2 ))
3.400 1.500 1.500 peak 182 spectrum 1 weight .10000E+01 volume .48556E-03 ppm1 7.614 ppm2 1.428 CV 1
ASSI { 184}
(( segid "B " and resid 45 and name HN ))
( segid "B " and resid 46 and name HD1%)
3.700 1.700 1.700 peak 184 spectrum 1 weight .10000E+01 volume .32652E-03 ppm1 7.614 ppm2 .733 CV 1
ASSI { 187}
(( segid "B " and resid 39 and name HN ))
(( segid "B " and resid 38 and name HN ))
3.200 1.300 1.300 peak 187 spectrum 1 weight .10000E+01 volume .77803E-03 ppm1 7.324 ppm2 8.947 CV 1
ASSI { 188}
(( segid "B " and resid 39 and name HN ))
(( segid "B " and resid 41 and name HN ))
3.500 1.500 1.500 peak 188 spectrum 1 weight .10000E+01 volume .45090E-03 ppm1 7.323 ppm2 7.635 CV 1
ASSI { 193}
(( segid "B " and resid 39 and name HN ))
(( segid "B " and resid 38 and name HA ))
3.100 1.200 1.200 peak 193 spectrum 1 weight .10000E+01 volume .94347E-03 ppm1 7.325 ppm2 4.064 CV 1
ASSI { 194}
(( segid "B " and resid 39 and name HN ))
(( segid "B " and resid 39 and name HA ))
2.600 .800 .800 peak 194 spectrum 1 weight .10000E+01 volume .27590E-02 ppm1 7.324 ppm2 3.985 CV 1
ASSI { 195}
(( segid "B " and resid 39 and name HN ))
(( segid "B " and resid 39 and name HB ))
2.600 .800 .800 peak 195 spectrum 1 weight .10000E+01 volume .27116E-02 ppm1 7.324 ppm2 3.912 CV 1
ASSI { 196}
(( segid "B " and resid 39 and name HN ))
(( segid "B " and resid 40 and name HB3 ))
3.500 3.500 2.500 peak 196 spectrum 1 weight .10000E+01 volume .40746E-03 ppm1 7.324 ppm2 2.990 CV 1
ASSI { 201}
(( segid "B " and resid 39 and name HN ))
( segid "B " and resid 38 and name HB% )
2.600 .900 .900 peak 201 spectrum 1 weight .10000E+01 volume .23774E-02 ppm1 7.324 ppm2 1.470 CV 1
ASSI { 235}
(( segid "B " and resid 6 and name HN ))
(( segid "B " and resid 5 and name HA ))
2.600 .900 .900 peak 235 spectrum 1 weight .10000E+01 volume .23734E-02 ppm1 8.628 ppm2 4.830 CV 1
ASSI { 237}
(( segid "B " and resid 6 and name HN ))
(( segid "B " and resid 9 and name HA ))
3.600 3.600 2.400 peak 237 spectrum 1 weight .10000E+01 volume .34863E-03 ppm1 8.629 ppm2 4.147 CV 1
ASSI { 244}
(( segid "B " and resid 6 and name HN ))
( segid "B " and resid 5 and name HD2%)
3.600 1.600 1.600 peak 244 spectrum 1 weight .10000E+01 volume .35606E-03 ppm1 8.630 ppm2 .620 CV 1
ASSI { 245}
(( segid "B " and resid 6 and name HN ))
( segid "B " and resid 5 and name HD1%)
3.000 1.200 1.200 peak 245 spectrum 1 weight .10000E+01 volume .97647E-03 ppm1 8.627 ppm2 .026 CV 1
ASSI { 249}
(( segid "B " and resid 42 and name HN ))
(( segid "B " and resid 41 and name HN ))
2.600 .800 .800 peak 249 spectrum 1 weight .10000E+01 volume .26897E-02 ppm1 7.812 ppm2 7.635 CV 1
ASSI { 258}
(( segid "B " and resid 42 and name HN ))
(( segid "B " and resid 40 and name HA ))
3.600 1.600 1.600 peak 258 spectrum 1 weight .10000E+01 volume .36753E-03 ppm1 7.811 ppm2 4.298 CV 1
ASSI { 259}
(( segid "B " and resid 42 and name HN ))
(( segid "B " and resid 42 and name HB ))
2.400 .700 .700 peak 259 spectrum 1 weight .10000E+01 volume .40787E-02 ppm1 7.812 ppm2 4.174 CV 1
ASSI { 260}
(( segid "B " and resid 42 and name HN ))
(( segid "B " and resid 42 and name HA ))
2.400 .700 .700 peak 260 spectrum 1 weight .10000E+01 volume .38539E-02 ppm1 7.812 ppm2 4.059 CV 1
ASSI { 261}
(( segid "B " and resid 42 and name HN ))
(( segid "B " and resid 41 and name HA ))
2.800 1.000 1.000 peak 261 spectrum 1 weight .10000E+01 volume .16427E-02 ppm1 7.812 ppm2 3.962 CV 1
ASSI { 264}
(( segid "B " and resid 42 and name HN ))
( segid "B " and resid 41 and name HB% )
2.400 .700 .700 peak 264 spectrum 1 weight .10000E+01 volume .44388E-02 ppm1 7.812 ppm2 1.445 CV 1
ASSI { 330}
(( segid "B " and resid 70 and name HN ))
(( segid "B " and resid 69 and name HN ))
3.500 1.500 1.500 peak 330 spectrum 1 weight .10000E+01 volume .45338E-03 ppm1 8.953 ppm2 8.444 CV 1
ASSI { 331}
(( segid "B " and resid 70 and name HN ))
(( segid "B " and resid 71 and name HN ))
2.900 1.000 1.000 peak 331 spectrum 1 weight .10000E+01 volume .13976E-02 ppm1 8.954 ppm2 8.000 CV 1
ASSI { 341}
(( segid "B " and resid 70 and name HN ))
(( segid "B " and resid 69 and name HA ))
2.400 .700 .700 peak 341 spectrum 1 weight .10000E+01 volume .40585E-02 ppm1 8.954 ppm2 4.109 CV 1
ASSI { 344}
(( segid "B " and resid 70 and name HN ))
(( segid "B " and resid 69 and name HB3 ))
3.100 1.200 1.200 peak 344 spectrum 1 weight .10000E+01 volume .81971E-03 ppm1 8.955 ppm2 2.031 CV 1
OR { 344}
(( segid "B " and resid 70 and name HN ))
(( segid "B " and resid 69 and name HB2 ))
ASSI { 396}
(( segid "B " and resid 8 and name HN ))
(( segid "B " and resid 7 and name HN ))
2.900 1.000 1.000 peak 396 spectrum 1 weight .10000E+01 volume .13903E-02 ppm1 8.416 ppm2 9.170 CV 1
ASSI { 398}
(( segid "B " and resid 8 and name HN ))
(( segid "B " and resid 9 and name HN ))
3.000 1.100 1.100 peak 398 spectrum 1 weight .10000E+01 volume .11452E-02 ppm1 8.417 ppm2 7.698 CV 1
ASSI { 399}
(( segid "B " and resid 8 and name HN ))
(( segid "B " and resid 6 and name HB ))
2.700 .900 .900 peak 399 spectrum 1 weight .10000E+01 volume .20437E-02 ppm1 8.417 ppm2 4.765 CV 1
ASSI { 401}
(( segid "B " and resid 8 and name HN ))
(( segid "B " and resid 8 and name HA ))
2.600 .900 .900 peak 401 spectrum 1 weight .10000E+01 volume .24146E-02 ppm1 8.416 ppm2 4.241 CV 1
ASSI { 402}
(( segid "B " and resid 8 and name HN ))
(( segid "B " and resid 7 and name HA ))
3.100 1.200 1.200 peak 402 spectrum 1 weight .10000E+01 volume .90552E-03 ppm1 8.416 ppm2 4.042 CV 1
ASSI { 403}
(( segid "B " and resid 8 and name HN ))
(( segid "B " and resid 8 and name HB3 ))
2.400 2.400 3.600 peak 403 spectrum 1 weight .10000E+01 volume .39356E-02 ppm1 8.416 ppm2 3.887 CV 1
ASSI { 406}
(( segid "B " and resid 8 and name HN ))
(( segid "B " and resid 7 and name HB3 ))
2.800 1.000 1.000 peak 406 spectrum 1 weight .10000E+01 volume .15437E-02 ppm1 8.416 ppm2 2.161 CV 1
ASSI { 407}
(( segid "B " and resid 8 and name HN ))
(( segid "B " and resid 7 and name HB2 ))
2.800 2.800 3.200 peak 407 spectrum 1 weight .10000E+01 volume .17772E-02 ppm1 8.416 ppm2 2.007 CV 1
ASSI { 416}
(( segid "B " and resid 83 and name HN ))
(( segid "B " and resid 82 and name HN ))
3.000 1.100 1.100 peak 416 spectrum 1 weight .10000E+01 volume .10883E-02 ppm1 7.977 ppm2 6.542 CV 1
ASSI { 417}
(( segid "B " and resid 83 and name HN ))
(( segid "B " and resid 83 and name HA ))
2.800 1.000 1.000 peak 417 spectrum 1 weight .10000E+01 volume .14798E-02 ppm1 7.977 ppm2 3.711 CV 1
ASSI { 420}
(( segid "B " and resid 83 and name HN ))
( segid "B " and resid 83 and name HB% )
2.600 .800 .800 peak 420 spectrum 1 weight .10000E+01 volume .24909E-02 ppm1 7.976 ppm2 1.225 CV 1
ASSI { 423}
(( segid "B " and resid 83 and name HN ))
( segid "B " and resid 86 and name HG2%)
3.100 1.200 1.200 peak 423 spectrum 1 weight .10000E+01 volume .85148E-03 ppm1 7.977 ppm2 .861 CV 1
ASSI { 425}
(( segid "B " and resid 77 and name HN ))
(( segid "B " and resid 76 and name HA ))
2.500 .800 .800 peak 425 spectrum 1 weight .10000E+01 volume .30028E-02 ppm1 8.705 ppm2 4.878 CV 1
ASSI { 426}
(( segid "B " and resid 77 and name HN ))
(( segid "B " and resid 77 and name HA ))
3.400 1.400 1.400 peak 426 spectrum 1 weight .10000E+01 volume .50206E-03 ppm1 8.705 ppm2 4.679 CV 1
ASSI { 429}
(( segid "B " and resid 77 and name HN ))
(( segid "B " and resid 77 and name HB ))
2.700 .900 .900 peak 429 spectrum 1 weight .10000E+01 volume .18956E-02 ppm1 8.705 ppm2 2.043 CV 1
ASSI { 430}
(( segid "B " and resid 77 and name HN ))
( segid "B " and resid 76 and name HB% )
2.700 .900 .900 peak 430 spectrum 1 weight .10000E+01 volume .22017E-02 ppm1 8.704 ppm2 1.093 CV 1
ASSI { 431}
(( segid "B " and resid 77 and name HN ))
( segid "B " and resid 77 and name HG1%)
2.600 2.600 3.400 peak 431 spectrum 1 weight .10000E+01 volume .22682E-02 ppm1 8.704 ppm2 .900 CV 1
ASSI { 432}
(( segid "B " and resid 91 and name HN ))
(( segid "B " and resid 90 and name HN ))
2.900 1.000 1.000 peak 432 spectrum 1 weight .10000E+01 volume .13536E-02 ppm1 7.858 ppm2 8.901 CV 1
ASSI { 433}
(( segid "B " and resid 91 and name HN ))
(( segid "B " and resid 92 and name HN ))
2.900 1.000 1.000 peak 433 spectrum 1 weight .10000E+01 volume .14294E-02 ppm1 7.859 ppm2 8.826 CV 1
ASSI { 434}
(( segid "B " and resid 91 and name HN ))
(( segid "B " and resid 93 and name HN ))
3.400 1.400 1.400 peak 434 spectrum 1 weight .10000E+01 volume .50865E-03 ppm1 7.858 ppm2 8.052 CV 1
ASSI { 438}
(( segid "B " and resid 91 and name HN ))
(( segid "B " and resid 91 and name HA ))
2.700 .900 .900 peak 438 spectrum 1 weight .10000E+01 volume .22108E-02 ppm1 7.858 ppm2 4.216 CV 1
ASSI { 449}
(( segid "B " and resid 9 and name HN ))
( segid "B " and resid 5 and name HD1%)
3.700 1.700 1.700 peak 449 spectrum 1 weight .10000E+01 volume .29191E-03 ppm1 7.685 ppm2 .028 CV 1
ASSI { 450}
(( segid "B " and resid 9 and name HN ))
(( segid "B " and resid 6 and name HB ))
3.100 1.200 1.200 peak 450 spectrum 1 weight .10000E+01 volume .91129E-03 ppm1 7.682 ppm2 4.774 CV 1
ASSI { 451}
(( segid "B " and resid 9 and name HN ))
(( segid "B " and resid 8 and name HA ))
3.300 1.400 1.400 peak 451 spectrum 1 weight .10000E+01 volume .61963E-03 ppm1 7.680 ppm2 4.241 CV 1
ASSI { 452}
(( segid "B " and resid 9 and name HN ))
(( segid "B " and resid 9 and name HA ))
2.900 1.000 1.000 peak 452 spectrum 1 weight .10000E+01 volume .13461E-02 ppm1 7.682 ppm2 4.149 CV 1
ASSI { 453}
(( segid "B " and resid 9 and name HN ))
(( segid "B " and resid 8 and name HB3 ))
3.000 1.100 1.100 peak 453 spectrum 1 weight .10000E+01 volume .10895E-02 ppm1 7.682 ppm2 3.887 CV 1
ASSI { 455}
(( segid "B " and resid 9 and name HN ))
(( segid "B " and resid 10 and name HN ))
3.000 1.200 1.200 peak 455 spectrum 1 weight .10000E+01 volume .98885E-03 ppm1 7.682 ppm2 8.825 CV 1
ASSI { 456}
(( segid "B " and resid 9 and name HN ))
(( segid "B " and resid 6 and name HN ))
3.500 1.600 1.600 peak 456 spectrum 1 weight .10000E+01 volume .40977E-03 ppm1 7.686 ppm2 8.641 CV 1
ASSI { 474}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 33 and name HB3 ))
3.600 1.600 1.600 peak 474 spectrum 1 weight .10000E+01 volume .35680E-03 ppm1 8.566 ppm2 2.798 CV 1
ASSI { 475}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 35 and name HA ))
2.600 .800 .800 peak 475 spectrum 1 weight .10000E+01 volume .27582E-02 ppm1 8.565 ppm2 4.421 CV 1
ASSI { 486}
(( segid "B " and resid 73 and name HN ))
(( segid "B " and resid 73 and name HB2 ))
3.000 1.100 1.100 peak 486 spectrum 1 weight .10000E+01 volume .11134E-02 ppm1 8.641 ppm2 1.580 CV 1
ASSI { 488}
(( segid "B " and resid 73 and name HN ))
( segid "B " and resid 72 and name HB% )
2.500 .800 .800 peak 488 spectrum 1 weight .10000E+01 volume .28646E-02 ppm1 8.640 ppm2 1.178 CV 1
ASSI { 489}
(( segid "B " and resid 73 and name HN ))
( segid "B " and resid 74 and name HG1%)
2.700 2.700 3.300 peak 489 spectrum 1 weight .10000E+01 volume .21221E-02 ppm1 8.641 ppm2 .860 CV 1
ASSI { 490}
(( segid "B " and resid 73 and name HN ))
(( segid "B " and resid 73 and name HA ))
3.200 1.300 1.300 peak 490 spectrum 1 weight .10000E+01 volume .68068E-03 ppm1 8.640 ppm2 5.003 CV 1
ASSI { 491}
(( segid "B " and resid 73 and name HN ))
(( segid "B " and resid 72 and name HA ))
2.400 .700 .700 peak 491 spectrum 1 weight .10000E+01 volume .41954E-02 ppm1 8.641 ppm2 4.615 CV 1
ASSI { 492}
(( segid "B " and resid 73 and name HN ))
(( segid "B " and resid 74 and name HN ))
3.700 1.700 1.700 peak 492 spectrum 1 weight .10000E+01 volume .31605E-03 ppm1 8.641 ppm2 9.224 CV 1
ASSI { 504}
(( segid "B " and resid 93 and name HN ))
(( segid "B " and resid 92 and name HN ))
2.800 1.000 1.000 peak 504 spectrum 1 weight .10000E+01 volume .15325E-02 ppm1 8.025 ppm2 8.826 CV 1
ASSI { 506}
(( segid "B " and resid 93 and name HN ))
(( segid "B " and resid 92 and name HA ))
3.000 1.100 1.100 peak 506 spectrum 1 weight .10000E+01 volume .11819E-02 ppm1 8.025 ppm2 4.480 CV 1
ASSI { 507}
(( segid "B " and resid 93 and name HN ))
(( segid "B " and resid 93 and name HA ))
2.600 .900 .900 peak 507 spectrum 1 weight .10000E+01 volume .24483E-02 ppm1 8.025 ppm2 4.351 CV 1
ASSI { 517}
(( segid "B " and resid 4 and name HN ))
(( segid "B " and resid 3 and name HB3 ))
3.300 1.400 1.400 peak 517 spectrum 1 weight .10000E+01 volume .57095E-03 ppm1 7.824 ppm2 1.170 CV 1
ASSI { 518}
(( segid "B " and resid 4 and name HN ))
(( segid "B " and resid 3 and name HB2 ))
3.100 1.200 1.200 peak 518 spectrum 1 weight .10000E+01 volume .82920E-03 ppm1 7.822 ppm2 .882 CV 1
ASSI { 519}
(( segid "B " and resid 4 and name HN ))
(( segid "B " and resid 3 and name HG2 ))
3.500 1.600 1.600 peak 519 spectrum 1 weight .10000E+01 volume .39897E-03 ppm1 7.823 ppm2 .341 CV 1
ASSI { 520}
(( segid "B " and resid 4 and name HN ))
(( segid "B " and resid 4 and name HB3 ))
3.000 1.100 1.100 peak 520 spectrum 1 weight .10000E+01 volume .11444E-02 ppm1 7.824 ppm2 1.867 CV 1
ASSI { 521}
(( segid "B " and resid 4 and name HN ))
(( segid "B " and resid 4 and name HB2 ))
2.800 .900 .900 peak 521 spectrum 1 weight .10000E+01 volume .18069E-02 ppm1 7.824 ppm2 1.620 CV 1
ASSI { 522}
(( segid "B " and resid 4 and name HN ))
(( segid "B " and resid 4 and name HG2 ))
3.100 1.200 1.200 peak 522 spectrum 1 weight .10000E+01 volume .81310E-03 ppm1 7.823 ppm2 1.399 CV 1
ASSI { 523}
(( segid "B " and resid 4 and name HN ))
(( segid "B " and resid 4 and name HA ))
2.900 1.000 1.000 peak 523 spectrum 1 weight .10000E+01 volume .13498E-02 ppm1 7.823 ppm2 5.046 CV 1
ASSI { 525}
(( segid "B " and resid 4 and name HN ))
(( segid "B " and resid 3 and name HA ))
2.200 .600 .600 peak 525 spectrum 1 weight .10000E+01 volume .69513E-02 ppm1 7.824 ppm2 3.839 CV 1
ASSI { 528}
(( segid "B " and resid 4 and name HN ))
(( segid "B " and resid 4 and name HE ))
3.200 3.200 2.800 peak 528 spectrum 1 weight .10000E+01 volume .78671E-03 ppm1 7.824 ppm2 6.745 CV 1
ASSI { 531}
(( segid "B " and resid 4 and name HN ))
(( segid "B " and resid 3 and name HD3 ))
3.500 1.600 1.600 peak 531 spectrum 1 weight .10000E+01 volume .39603E-03 ppm1 7.822 ppm2 .753 CV 1
ASSI { 534}
(( segid "B " and resid 7 and name HN ))
(( segid "B " and resid 6 and name HB ))
2.600 .800 .800 peak 534 spectrum 1 weight .10000E+01 volume .26279E-02 ppm1 9.154 ppm2 4.755 CV 1
ASSI { 536}
(( segid "B " and resid 7 and name HN ))
(( segid "B " and resid 7 and name HA ))
2.800 1.000 1.000 peak 536 spectrum 1 weight .10000E+01 volume .15788E-02 ppm1 9.154 ppm2 4.043 CV 1
ASSI { 537}
(( segid "B " and resid 7 and name HN ))
(( segid "B " and resid 7 and name HG3 ))
3.300 1.400 1.400 peak 537 spectrum 1 weight .10000E+01 volume .60725E-03 ppm1 9.156 ppm2 2.370 CV 1
OR { 537}
(( segid "B " and resid 7 and name HN ))
(( segid "B " and resid 7 and name HG2 ))
ASSI { 538}
(( segid "B " and resid 7 and name HN ))
(( segid "B " and resid 7 and name HG3 ))
3.200 1.300 1.300 peak 538 spectrum 1 weight .10000E+01 volume .72029E-03 ppm1 9.154 ppm2 2.283 CV 1
ASSI { 539}
(( segid "B " and resid 7 and name HN ))
(( segid "B " and resid 7 and name HB3 ))
2.700 .900 .900 peak 539 spectrum 1 weight .10000E+01 volume .22025E-02 ppm1 9.155 ppm2 2.159 CV 1
ASSI { 540}
(( segid "B " and resid 7 and name HN ))
(( segid "B " and resid 7 and name HB2 ))
2.700 .900 .900 peak 540 spectrum 1 weight .10000E+01 volume .19777E-02 ppm1 9.154 ppm2 2.007 CV 1
ASSI { 541}
(( segid "B " and resid 7 and name HN ))
(( segid "B " and resid 6 and name HG1 ))
2.800 2.800 3.200 peak 541 spectrum 1 weight .10000E+01 volume .14835E-02 ppm1 9.155 ppm2 1.291 CV 1
ASSI { 543}
(( segid "B " and resid 13 and name HN ))
( segid "B " and resid 13 and name HB% )
2.300 .700 .700 peak 543 spectrum 1 weight .10000E+01 volume .53712E-02 ppm1 8.092 ppm2 1.369 CV 1
ASSI { 546}
(( segid "B " and resid 13 and name HN ))
( segid "B " and resid 14 and name HG2%)
3.500 1.500 1.500 peak 546 spectrum 1 weight .10000E+01 volume .43481E-03 ppm1 8.092 ppm2 .260 CV 1
ASSI { 548}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 12 and name HB3 ))
2.600 .800 .800 peak 548 spectrum 1 weight .10000E+01 volume .25622E-02 ppm1 8.092 ppm2 2.216 CV 1
ASSI { 549}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 12 and name HB2 ))
2.700 .900 .900 peak 549 spectrum 1 weight .10000E+01 volume .20037E-02 ppm1 8.091 ppm2 2.112 CV 1
ASSI { 551}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 9 and name HA ))
3.500 1.500 1.500 peak 551 spectrum 1 weight .10000E+01 volume .42862E-03 ppm1 8.092 ppm2 4.150 CV 1
ASSI { 552}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 12 and name HA ))
2.900 1.100 1.100 peak 552 spectrum 1 weight .10000E+01 volume .12714E-02 ppm1 8.092 ppm2 4.027 CV 1
ASSI { 553}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 13 and name HA ))
2.600 .800 .800 peak 553 spectrum 1 weight .10000E+01 volume .26815E-02 ppm1 8.092 ppm2 3.859 CV 1
ASSI { 554}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 10 and name HA ))
3.100 1.200 1.200 peak 554 spectrum 1 weight .10000E+01 volume .84445E-03 ppm1 8.092 ppm2 3.734 CV 1
ASSI { 555}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 12 and name HN ))
2.600 .800 .800 peak 555 spectrum 1 weight .10000E+01 volume .25123E-02 ppm1 8.092 ppm2 7.611 CV 1
ASSI { 557}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 15 and name HN ))
3.600 1.600 1.600 peak 557 spectrum 1 weight .10000E+01 volume .36872E-03 ppm1 8.092 ppm2 7.168 CV 1
ASSI { 559}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 11 and name HN ))
3.700 1.700 1.700 peak 559 spectrum 1 weight .10000E+01 volume .31468E-03 ppm1 8.090 ppm2 8.437 CV 1
ASSI { 566}
(( segid "B " and resid 41 and name HN ))
( segid "B " and resid 41 and name HB% )
2.300 .700 .700 peak 566 spectrum 1 weight .10000E+01 volume .53299E-02 ppm1 7.619 ppm2 1.445 CV 1
ASSI { 570}
(( segid "B " and resid 41 and name HN ))
(( segid "B " and resid 40 and name HB2 ))
2.800 1.000 1.000 peak 570 spectrum 1 weight .10000E+01 volume .15722E-02 ppm1 7.619 ppm2 2.993 CV 1
ASSI { 571}
(( segid "B " and resid 41 and name HN ))
(( segid "B " and resid 42 and name HA ))
2.900 2.900 3.100 peak 571 spectrum 1 weight .10000E+01 volume .13973E-02 ppm1 7.619 ppm2 4.064 CV 1
ASSI { 572}
(( segid "B " and resid 41 and name HN ))
(( segid "B " and resid 41 and name HA ))
2.700 .900 .900 peak 572 spectrum 1 weight .10000E+01 volume .20602E-02 ppm1 7.620 ppm2 3.950 CV 1
ASSI { 573}
(( segid "B " and resid 41 and name HN ))
(( segid "B " and resid 40 and name HA ))
3.200 1.300 1.300 peak 573 spectrum 1 weight .10000E+01 volume .74628E-03 ppm1 7.617 ppm2 4.297 CV 1
ASSI { 574}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 16 and name HN ))
2.800 1.000 1.000 peak 574 spectrum 1 weight .10000E+01 volume .14673E-02 ppm1 7.549 ppm2 8.929 CV 1
ASSI { 575}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 18 and name HN ))
3.300 1.400 1.400 peak 575 spectrum 1 weight .10000E+01 volume .61096E-03 ppm1 7.549 ppm2 8.792 CV 1
ASSI { 578}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 17 and name HA ))
2.600 .800 .800 peak 578 spectrum 1 weight .10000E+01 volume .25267E-02 ppm1 7.549 ppm2 4.333 CV 1
ASSI { 579}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 16 and name HA2 ))
2.600 .800 .800 peak 579 spectrum 1 weight .10000E+01 volume .26258E-02 ppm1 7.549 ppm2 4.032 CV 1
ASSI { 580}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 16 and name HA1 ))
3.000 1.100 1.100 peak 580 spectrum 1 weight .10000E+01 volume .11592E-02 ppm1 7.550 ppm2 3.803 CV 1
ASSI { 581}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 15 and name HB2 ))
3.700 1.700 1.700 peak 581 spectrum 1 weight .10000E+01 volume .32611E-03 ppm1 7.550 ppm2 2.084 CV 1
ASSI { 582}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 14 and name HB ))
3.600 1.600 1.600 peak 582 spectrum 1 weight .10000E+01 volume .35602E-03 ppm1 7.547 ppm2 1.901 CV 1
ASSI { 583}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 17 and name HB2 ))
2.500 .800 .800 peak 583 spectrum 1 weight .10000E+01 volume .32525E-02 ppm1 7.549 ppm2 1.568 CV 1
ASSI { 584}
(( segid "B " and resid 17 and name HN ))
(( segid "B " and resid 17 and name HB3 ))
2.300 2.300 3.700 peak 584 spectrum 1 weight .10000E+01 volume .54042E-02 ppm1 7.549 ppm2 1.504 CV 1
ASSI { 585}
(( segid "B " and resid 17 and name HN ))
( segid "B " and resid 17 and name HD2%)
2.800 1.000 1.000 peak 585 spectrum 1 weight .10000E+01 volume .16485E-02 ppm1 7.549 ppm2 .799 CV 1
ASSI { 586}
(( segid "B " and resid 17 and name HN ))
( segid "B " and resid 17 and name HD1%)
2.800 1.000 1.000 peak 586 spectrum 1 weight .10000E+01 volume .14909E-02 ppm1 7.549 ppm2 .735 CV 1
ASSI { 587}
(( segid "B " and resid 40 and name HN ))
(( segid "B " and resid 42 and name HN ))
3.600 1.600 1.600 peak 587 spectrum 1 weight .10000E+01 volume .37680E-03 ppm1 7.385 ppm2 7.831 CV 1
ASSI { 588}
(( segid "B " and resid 40 and name HN ))
(( segid "B " and resid 41 and name HN ))
2.600 .800 .800 peak 588 spectrum 1 weight .10000E+01 volume .25676E-02 ppm1 7.385 ppm2 7.635 CV 1
ASSI { 592}
(( segid "B " and resid 40 and name HN ))
(( segid "B " and resid 40 and name HA ))
2.800 .900 .900 peak 592 spectrum 1 weight .10000E+01 volume .18069E-02 ppm1 7.385 ppm2 4.296 CV 1
ASSI { 593}
(( segid "B " and resid 40 and name HN ))
(( segid "B " and resid 38 and name HA ))
3.400 1.400 1.400 peak 593 spectrum 1 weight .10000E+01 volume .54042E-03 ppm1 7.385 ppm2 4.062 CV 1
ASSI { 594}
(( segid "B " and resid 40 and name HN ))
(( segid "B " and resid 39 and name HA ))
3.000 1.100 1.100 peak 594 spectrum 1 weight .10000E+01 volume .11167E-02 ppm1 7.385 ppm2 3.973 CV 1
ASSI { 595}
(( segid "B " and resid 40 and name HN ))
(( segid "B " and resid 39 and name HB ))
2.800 1.000 1.000 peak 595 spectrum 1 weight .10000E+01 volume .16394E-02 ppm1 7.386 ppm2 3.911 CV 1
ASSI { 596}
(( segid "B " and resid 40 and name HN ))
(( segid "B " and resid 40 and name HB3 ))
2.400 .700 .700 peak 596 spectrum 1 weight .10000E+01 volume .36992E-02 ppm1 7.386 ppm2 2.992 CV 1
ASSI { 597}
(( segid "B " and resid 40 and name HN ))
( segid "B " and resid 41 and name HB% )
3.000 1.100 1.100 peak 597 spectrum 1 weight .10000E+01 volume .10449E-02 ppm1 7.387 ppm2 1.451 CV 1
ASSI { 604}
(( segid "B " and resid 98 and name HN ))
(( segid "B " and resid 98 and name HA ))
2.400 .700 .700 peak 604 spectrum 1 weight .10000E+01 volume .36411E-02 ppm1 8.138 ppm2 4.307 CV 1
ASSI { 619}
(( segid "B " and resid 96 and name HN ))
(( segid "B " and resid 98 and name HN ))
3.300 1.400 1.400 peak 619 spectrum 1 weight .10000E+01 volume .58703E-03 ppm1 7.923 ppm2 8.167 CV 1
ASSI { 621}
(( segid "B " and resid 96 and name HN ))
(( segid "B " and resid 95 and name HN ))
2.700 .900 .900 peak 621 spectrum 1 weight .10000E+01 volume .22516E-02 ppm1 7.922 ppm2 7.803 CV 1
ASSI { 626}
(( segid "B " and resid 96 and name HN ))
(( segid "B " and resid 95 and name HB3 ))
2.200 2.200 3.800 peak 626 spectrum 1 weight .10000E+01 volume .70956E-02 ppm1 7.923 ppm2 1.941 CV 1
ASSI { 627}
(( segid "B " and resid 96 and name HN ))
(( segid "B " and resid 95 and name HB2 ))
2.900 1.100 1.100 peak 627 spectrum 1 weight .10000E+01 volume .12112E-02 ppm1 7.922 ppm2 1.738 CV 1
ASSI { 628}
(( segid "B " and resid 96 and name HN ))
(( segid "B " and resid 95 and name HG3 ))
2.700 2.700 3.300 peak 628 spectrum 1 weight .10000E+01 volume .18610E-02 ppm1 7.923 ppm2 1.565 CV 1
ASSI { 629}
(( segid "B " and resid 96 and name HN ))
(( segid "B " and resid 95 and name HG2 ))
2.800 2.800 3.200 peak 629 spectrum 1 weight .10000E+01 volume .15136E-02 ppm1 7.922 ppm2 1.496 CV 1
ASSI { 630}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 24 and name HB ))
2.600 .900 .900 peak 630 spectrum 1 weight .10000E+01 volume .24727E-02 ppm1 7.439 ppm2 2.122 CV 1
ASSI { 631}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 24 and name HG12))
2.800 1.000 1.000 peak 631 spectrum 1 weight .10000E+01 volume .16741E-02 ppm1 7.439 ppm2 1.634 CV 1
ASSI { 632}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 23 and name HG1 ))
3.100 1.200 1.200 peak 632 spectrum 1 weight .10000E+01 volume .83868E-03 ppm1 7.441 ppm2 1.180 CV 1
ASSI { 633}
(( segid "B " and resid 24 and name HN ))
( segid "B " and resid 24 and name HG2%)
2.900 1.000 1.000 peak 633 spectrum 1 weight .10000E+01 volume .13366E-02 ppm1 7.439 ppm2 1.088 CV 1
ASSI { 635}
(( segid "B " and resid 24 and name HN ))
( segid "B " and resid 24 and name HD1%)
2.700 .900 .900 peak 635 spectrum 1 weight .10000E+01 volume .18610E-02 ppm1 7.439 ppm2 .773 CV 1
ASSI { 636}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 23 and name HB ))
2.900 1.100 1.100 peak 636 spectrum 1 weight .10000E+01 volume .11906E-02 ppm1 7.440 ppm2 4.280 CV 1
ASSI { 637}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 22 and name HA ))
3.700 1.700 1.700 peak 637 spectrum 1 weight .10000E+01 volume .29925E-03 ppm1 7.440 ppm2 4.171 CV 1
ASSI { 638}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 21 and name HA ))
3.000 1.200 1.200 peak 638 spectrum 1 weight .10000E+01 volume .99379E-03 ppm1 7.439 ppm2 3.956 CV 1
ASSI { 639}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 23 and name HA ))
3.600 1.600 1.600 peak 639 spectrum 1 weight .10000E+01 volume .38675E-03 ppm1 7.439 ppm2 3.795 CV 1
ASSI { 640}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 24 and name HA ))
2.900 1.100 1.100 peak 640 spectrum 1 weight .10000E+01 volume .12108E-02 ppm1 7.439 ppm2 3.565 CV 1
ASSI { 641}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 25 and name HN ))
2.900 1.000 1.000 peak 641 spectrum 1 weight .10000E+01 volume .13358E-02 ppm1 7.439 ppm2 8.310 CV 1
ASSI { 642}
(( segid "B " and resid 24 and name HN ))
(( segid "B " and resid 23 and name HN ))
2.900 1.000 1.000 peak 642 spectrum 1 weight .10000E+01 volume .13374E-02 ppm1 7.439 ppm2 7.583 CV 1
ASSI { 649}
(( segid "B " and resid 92 and name HN ))
(( segid "B " and resid 89 and name HA ))
3.300 1.400 1.400 peak 649 spectrum 1 weight .10000E+01 volume .59611E-03 ppm1 8.808 ppm2 4.752 CV 1
ASSI { 650}
(( segid "B " and resid 92 and name HN ))
(( segid "B " and resid 92 and name HA ))
2.600 .900 .900 peak 650 spectrum 1 weight .10000E+01 volume .23287E-02 ppm1 8.809 ppm2 4.480 CV 1
ASSI { 651}
(( segid "B " and resid 92 and name HN ))
(( segid "B " and resid 91 and name HA ))
3.100 1.200 1.200 peak 651 spectrum 1 weight .10000E+01 volume .88199E-03 ppm1 8.809 ppm2 4.217 CV 1
ASSI { 652}
(( segid "B " and resid 92 and name HN ))
(( segid "B " and resid 90 and name HA ))
3.200 1.300 1.300 peak 652 spectrum 1 weight .10000E+01 volume .66501E-03 ppm1 8.810 ppm2 4.128 CV 1
ASSI { 661}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 28 and name HA ))
2.900 1.100 1.100 peak 661 spectrum 1 weight .10000E+01 volume .12673E-02 ppm1 9.096 ppm2 2.878 CV 1
ASSI { 663}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 27 and name HA ))
3.400 1.400 1.400 peak 663 spectrum 1 weight .10000E+01 volume .50783E-03 ppm1 9.095 ppm2 3.860 CV 1
ASSI { 664}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 29 and name HN ))
2.900 1.000 1.000 peak 664 spectrum 1 weight .10000E+01 volume .13300E-02 ppm1 9.096 ppm2 7.875 CV 1
ASSI { 668}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 27 and name HN ))
3.000 1.100 1.100 peak 668 spectrum 1 weight .10000E+01 volume .10458E-02 ppm1 9.095 ppm2 8.371 CV 1
ASSI { 680}
(( segid "B " and resid 95 and name HN ))
(( segid "B " and resid 92 and name HA ))
3.100 1.200 1.200 peak 680 spectrum 1 weight .10000E+01 volume .95709E-03 ppm1 7.790 ppm2 4.479 CV 1
ASSI { 682}
(( segid "B " and resid 95 and name HN ))
(( segid "B " and resid 95 and name HA ))
2.300 .700 .700 peak 682 spectrum 1 weight .10000E+01 volume .47689E-02 ppm1 7.789 ppm2 4.215 CV 1
ASSI { 683}
(( segid "B " and resid 95 and name HN ))
(( segid "B " and resid 94 and name HN ))
2.400 .700 .700 peak 683 spectrum 1 weight .10000E+01 volume .44719E-02 ppm1 7.789 ppm2 7.946 CV 1
ASSI { 703}
(( segid "B " and resid 21 and name HN ))
(( segid "B " and resid 22 and name HB3 ))
2.500 2.500 3.500 peak 703 spectrum 1 weight .10000E+01 volume .30605E-02 ppm1 8.543 ppm2 2.060 CV 1
ASSI { 706}
(( segid "B " and resid 21 and name HN ))
(( segid "B " and resid 20 and name HA2 ))
2.500 .800 .800 peak 706 spectrum 1 weight .10000E+01 volume .33754E-02 ppm1 8.543 ppm2 4.219 CV 1
ASSI { 707}
(( segid "B " and resid 21 and name HN ))
(( segid "B " and resid 20 and name HA1 ))
2.500 .800 .800 peak 707 spectrum 1 weight .10000E+01 volume .30198E-02 ppm1 8.543 ppm2 4.036 CV 1
ASSI { 708}
(( segid "B " and resid 21 and name HN ))
(( segid "B " and resid 21 and name HA ))
2.600 .800 .800 peak 708 spectrum 1 weight .10000E+01 volume .25577E-02 ppm1 8.543 ppm2 3.956 CV 1
ASSI { 718}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 24 and name HB ))
2.400 .700 .700 peak 718 spectrum 1 weight .10000E+01 volume .42079E-02 ppm1 8.296 ppm2 2.109 CV 1
ASSI { 720}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 25 and name HA ))
2.600 .800 .800 peak 720 spectrum 1 weight .10000E+01 volume .25787E-02 ppm1 8.296 ppm2 3.970 CV 1
ASSI { 721}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 24 and name HA ))
3.300 1.300 1.300 peak 721 spectrum 1 weight .10000E+01 volume .63737E-03 ppm1 8.297 ppm2 3.565 CV 1
ASSI { 723}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 26 and name HN ))
2.900 1.100 1.100 peak 723 spectrum 1 weight .10000E+01 volume .13061E-02 ppm1 8.296 ppm2 8.131 CV 1
ASSI { 724}
(( segid "B " and resid 25 and name HN ))
(( segid "B " and resid 23 and name HN ))
3.600 1.700 1.700 peak 724 spectrum 1 weight .10000E+01 volume .33556E-03 ppm1 8.295 ppm2 7.572 CV 1
ASSI { 735}
(( segid "B " and resid 97 and name HN ))
(( segid "B " and resid 97 and name HB3 ))
2.600 2.600 3.400 peak 735 spectrum 1 weight .10000E+01 volume .25227E-02 ppm1 8.003 ppm2 2.136 CV 1
ASSI { 737}
(( segid "B " and resid 97 and name HN ))
(( segid "B " and resid 95 and name HB3 ))
2.600 2.600 3.400 peak 737 spectrum 1 weight .10000E+01 volume .24979E-02 ppm1 8.002 ppm2 1.948 CV 1
ASSI { 739}
(( segid "B " and resid 97 and name HN ))
(( segid "B " and resid 96 and name HD3 ))
3.500 3.500 2.500 peak 739 spectrum 1 weight .10000E+01 volume .42037E-03 ppm1 8.003 ppm2 1.551 CV 1
ASSI { 740}
(( segid "B " and resid 97 and name HN ))
(( segid "B " and resid 95 and name HG2 ))
3.500 3.500 2.500 peak 740 spectrum 1 weight .10000E+01 volume .42161E-03 ppm1 8.003 ppm2 1.496 CV 1
ASSI { 744}
(( segid "B " and resid 51 and name HN ))
(( segid "B " and resid 50 and name HA ))
3.100 1.200 1.200 peak 744 spectrum 1 weight .10000E+01 volume .94429E-03 ppm1 7.737 ppm2 4.175 CV 1
ASSI { 745}
(( segid "B " and resid 51 and name HN ))
(( segid "B " and resid 52 and name HB2 ))
3.300 3.300 2.700 peak 745 spectrum 1 weight .10000E+01 volume .63737E-03 ppm1 7.734 ppm2 4.018 CV 1
ASSI { 747}
(( segid "B " and resid 51 and name HN ))
(( segid "B " and resid 51 and name HA ))
2.800 1.000 1.000 peak 747 spectrum 1 weight .10000E+01 volume .15791E-02 ppm1 7.734 ppm2 3.618 CV 1
ASSI { 751}
(( segid "B " and resid 51 and name HN ))
( segid "B " and resid 51 and name HG1%)
2.800 1.000 1.000 peak 751 spectrum 1 weight .10000E+01 volume .15475E-02 ppm1 7.734 ppm2 1.059 CV 1
ASSI { 752}
(( segid "B " and resid 51 and name HN ))
( segid "B " and resid 51 and name HG2%)
2.500 .800 .800 peak 752 spectrum 1 weight .10000E+01 volume .35164E-02 ppm1 7.734 ppm2 .989 CV 1
ASSI { 755}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 26 and name HG13))
3.400 1.400 1.400 peak 755 spectrum 1 weight .10000E+01 volume .51319E-03 ppm1 8.358 ppm2 1.188 CV 1
ASSI { 757}
(( segid "B " and resid 27 and name HN ))
( segid "B " and resid 30 and name HG1%)
3.600 1.700 1.700 peak 757 spectrum 1 weight .10000E+01 volume .33156E-03 ppm1 8.359 ppm2 .908 CV 1
ASSI { 759}
(( segid "B " and resid 27 and name HN ))
( segid "B " and resid 26 and name HG2%)
2.900 1.000 1.000 peak 759 spectrum 1 weight .10000E+01 volume .14397E-02 ppm1 8.357 ppm2 .633 CV 1
ASSI { 760}
(( segid "B " and resid 27 and name HN ))
( segid "B " and resid 32 and name HG2%)
3.700 3.700 2.300 peak 760 spectrum 1 weight .10000E+01 volume .32693E-03 ppm1 8.360 ppm2 .504 CV 1
ASSI { 763}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 26 and name HB ))
2.600 .800 .800 peak 763 spectrum 1 weight .10000E+01 volume .25148E-02 ppm1 8.357 ppm2 1.554 CV 1
ASSI { 764}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 26 and name HA ))
3.300 1.400 1.400 peak 764 spectrum 1 weight .10000E+01 volume .58538E-03 ppm1 8.357 ppm2 2.697 CV 1
ASSI { 765}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 27 and name HA ))
2.800 1.000 1.000 peak 765 spectrum 1 weight .10000E+01 volume .15028E-02 ppm1 8.357 ppm2 3.866 CV 1
ASSI { 766}
(( segid "B " and resid 27 and name HN ))
(( segid "B " and resid 24 and name HA ))
3.500 1.500 1.500 peak 766 spectrum 1 weight .10000E+01 volume .45131E-03 ppm1 8.355 ppm2 3.566 CV 1
ASSI { 771}
(( segid "B " and resid 38 and name HN ))
(( segid "B " and resid 37 and name HB3 ))
3.300 1.400 1.400 peak 771 spectrum 1 weight .10000E+01 volume .59034E-03 ppm1 8.930 ppm2 2.279 CV 1
ASSI { 773}
(( segid "B " and resid 38 and name HN ))
(( segid "B " and resid 37 and name HB2 ))
2.900 1.100 1.100 peak 773 spectrum 1 weight .10000E+01 volume .12124E-02 ppm1 8.930 ppm2 1.967 CV 1
ASSI { 778}
(( segid "B " and resid 38 and name HN ))
(( segid "B " and resid 38 and name HA ))
2.700 .900 .900 peak 778 spectrum 1 weight .10000E+01 volume .18481E-02 ppm1 8.931 ppm2 4.066 CV 1
ASSI { 779}
(( segid "B " and resid 38 and name HN ))
(( segid "B " and resid 37 and name HA ))
3.500 1.500 1.500 peak 779 spectrum 1 weight .10000E+01 volume .41295E-03 ppm1 8.930 ppm2 3.864 CV 1
ASSI { 783}
(( segid "B " and resid 60 and name HN ))
(( segid "B " and resid 59 and name HB3 ))
2.700 .900 .900 peak 783 spectrum 1 weight .10000E+01 volume .21348E-02 ppm1 8.771 ppm2 2.168 CV 1
ASSI { 784}
(( segid "B " and resid 60 and name HN ))
(( segid "B " and resid 59 and name HB2 ))
2.700 2.700 3.300 peak 784 spectrum 1 weight .10000E+01 volume .21101E-02 ppm1 8.771 ppm2 2.066 CV 1
ASSI { 794}
(( segid "B " and resid 80 and name HN ))
(( segid "B " and resid 79 and name HB3 ))
2.700 2.700 3.300 peak 794 spectrum 1 weight .10000E+01 volume .19224E-02 ppm1 8.724 ppm2 3.248 CV 1
ASSI { 795}
(( segid "B " and resid 80 and name HN ))
(( segid "B " and resid 81 and name HA ))
3.200 3.200 2.800 peak 795 spectrum 1 weight .10000E+01 volume .66542E-03 ppm1 8.724 ppm2 4.372 CV 1
ASSI { 805}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 32 and name HA ))
2.900 1.100 1.100 peak 805 spectrum 1 weight .10000E+01 volume .12710E-02 ppm1 8.083 ppm2 4.724 CV 1
ASSI { 806}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 31 and name HA ))
3.500 1.500 1.500 peak 806 spectrum 1 weight .10000E+01 volume .45131E-03 ppm1 8.082 ppm2 4.265 CV 1
ASSI { 810}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 32 and name HB ))
2.700 .900 .900 peak 810 spectrum 1 weight .10000E+01 volume .18989E-02 ppm1 8.084 ppm2 2.081 CV 1
ASSI { 813}
(( segid "B " and resid 32 and name HN ))
(( segid "B " and resid 31 and name HB3 ))
3.400 1.400 1.400 peak 813 spectrum 1 weight .10000E+01 volume .52515E-03 ppm1 8.085 ppm2 1.311 CV 1
ASSI { 815}
(( segid "B " and resid 32 and name HN ))
( segid "B " and resid 32 and name HG1%)
2.900 1.000 1.000 peak 815 spectrum 1 weight .10000E+01 volume .14035E-02 ppm1 8.085 ppm2 .831 CV 1
ASSI { 816}
(( segid "B " and resid 32 and name HN ))
( segid "B " and resid 5 and name HD2%)
3.700 3.700 2.300 peak 816 spectrum 1 weight .10000E+01 volume .31097E-03 ppm1 8.085 ppm2 .583 CV 1
ASSI { 817}
(( segid "B " and resid 32 and name HN ))
( segid "B " and resid 32 and name HG2%)
2.700 .900 .900 peak 817 spectrum 1 weight .10000E+01 volume .19302E-02 ppm1 8.084 ppm2 .427 CV 1
ASSI { 822}
(( segid "B " and resid 62 and name HN ))
(( segid "B " and resid 62 and name HB3 ))
2.800 1.000 1.000 peak 822 spectrum 1 weight .10000E+01 volume .16909E-02 ppm1 7.804 ppm2 2.871 CV 1
ASSI { 823}
(( segid "B " and resid 62 and name HN ))
(( segid "B " and resid 62 and name HB2 ))
2.800 1.000 1.000 peak 823 spectrum 1 weight .10000E+01 volume .17561E-02 ppm1 7.805 ppm2 2.682 CV 1
ASSI { 825}
(( segid "B " and resid 62 and name HN ))
(( segid "B " and resid 61 and name HA ))
3.100 1.200 1.200 peak 825 spectrum 1 weight .10000E+01 volume .85642E-03 ppm1 7.803 ppm2 4.136 CV 1
ASSI { 826}
(( segid "B " and resid 62 and name HN ))
(( segid "B " and resid 62 and name HA ))
2.800 1.000 1.000 peak 826 spectrum 1 weight .10000E+01 volume .16390E-02 ppm1 7.804 ppm2 3.964 CV 1
ASSI { 828}
(( segid "B " and resid 62 and name HN ))
( segid "B " and resid 62 and name HD% )
3.100 1.200 1.200 peak 828 spectrum 1 weight .10000E+01 volume .95090E-03 ppm1 7.804 ppm2 6.428 CV 1
ASSI { 829}
(( segid "B " and resid 62 and name HN ))
(( segid "B " and resid 63 and name HN ))
2.900 1.000 1.000 peak 829 spectrum 1 weight .10000E+01 volume .13609E-02 ppm1 7.804 ppm2 8.248 CV 1
ASSI { 831}
(( segid "B " and resid 86 and name HN ))
(( segid "B " and resid 85 and name HN ))
3.200 1.300 1.300 peak 831 spectrum 1 weight .10000E+01 volume .70667E-03 ppm1 7.643 ppm2 6.820 CV 1
ASSI { 832}
(( segid "B " and resid 86 and name HN ))
( segid "B " and resid 85 and name HG2%)
3.200 1.300 1.300 peak 832 spectrum 1 weight .10000E+01 volume .66913E-03 ppm1 7.643 ppm2 -.091 CV 1
ASSI { 833}
(( segid "B " and resid 86 and name HN ))
( segid "B " and resid 83 and name HB% )
3.700 1.700 1.700 peak 833 spectrum 1 weight .10000E+01 volume .29872E-03 ppm1 7.645 ppm2 1.223 CV 1
ASSI { 834}
(( segid "B " and resid 86 and name HN ))
( segid "B " and resid 86 and name HG1%)
2.700 2.700 3.300 peak 834 spectrum 1 weight .10000E+01 volume .18964E-02 ppm1 7.644 ppm2 1.010 CV 1
ASSI { 835}
(( segid "B " and resid 86 and name HN ))
( segid "B " and resid 86 and name HG2%)
2.800 1.000 1.000 peak 835 spectrum 1 weight .10000E+01 volume .17008E-02 ppm1 7.643 ppm2 .851 CV 1
ASSI { 836}
(( segid "B " and resid 86 and name HN ))
(( segid "B " and resid 86 and name HB ))
2.900 1.100 1.100 peak 836 spectrum 1 weight .10000E+01 volume .12517E-02 ppm1 7.643 ppm2 2.079 CV 1
ASSI { 837}
(( segid "B " and resid 86 and name HN ))
(( segid "B " and resid 85 and name HB ))
3.000 1.100 1.100 peak 837 spectrum 1 weight .10000E+01 volume .10293E-02 ppm1 7.643 ppm2 1.686 CV 1
ASSI { 838}
(( segid "B " and resid 86 and name HN ))
(( segid "B " and resid 83 and name HA ))
3.400 1.400 1.400 peak 838 spectrum 1 weight .10000E+01 volume .52392E-03 ppm1 7.641 ppm2 3.722 CV 1
ASSI { 839}
(( segid "B " and resid 86 and name HN ))
(( segid "B " and resid 85 and name HA ))
3.000 1.200 1.200 peak 839 spectrum 1 weight .10000E+01 volume .99091E-03 ppm1 7.644 ppm2 3.250 CV 1
ASSI { 840}
(( segid "B " and resid 86 and name HN ))
(( segid "B " and resid 87 and name HN ))
3.200 1.200 1.200 peak 840 spectrum 1 weight .10000E+01 volume .78836E-03 ppm1 7.644 ppm2 7.875 CV 1
ASSI { 845}
(( segid "B " and resid 82 and name HN ))
( segid "B " and resid 83 and name HB% )
3.100 1.200 1.200 peak 845 spectrum 1 weight .10000E+01 volume .83456E-03 ppm1 6.528 ppm2 1.224 CV 1
ASSI { 849}
(( segid "B " and resid 82 and name HN ))
(( segid "B " and resid 82 and name HA ))
3.200 1.200 1.200 peak 849 spectrum 1 weight .10000E+01 volume .79495E-03 ppm1 6.526 ppm2 3.665 CV 1
ASSI { 850}
(( segid "B " and resid 82 and name HN ))
(( segid "B " and resid 81 and name HA ))
3.700 1.700 1.700 peak 850 spectrum 1 weight .10000E+01 volume .28679E-03 ppm1 6.532 ppm2 4.331 CV 1
ASSI { 869}
(( segid "B " and resid 66 and name HN ))
(( segid "B " and resid 65 and name HN ))
2.700 .900 .900 peak 869 spectrum 1 weight .10000E+01 volume .21852E-02 ppm1 7.477 ppm2 7.233 CV 1
ASSI { 872}
(( segid "B " and resid 66 and name HN ))
(( segid "B " and resid 64 and name HA ))
3.500 1.500 1.500 peak 872 spectrum 1 weight .10000E+01 volume .42408E-03 ppm1 7.477 ppm2 4.335 CV 1
ASSI { 875}
(( segid "B " and resid 66 and name HN ))
(( segid "B " and resid 65 and name HB3 ))
3.200 1.300 1.300 peak 875 spectrum 1 weight .10000E+01 volume .76690E-03 ppm1 7.478 ppm2 1.768 CV 1
ASSI { 879}
(( segid "B " and resid 66 and name HN ))
(( segid "B " and resid 65 and name HB2 ))
3.000 1.200 1.200 peak 879 spectrum 1 weight .10000E+01 volume .99009E-03 ppm1 7.479 ppm2 1.639 CV 1
ASSI { 880}
(( segid "B " and resid 66 and name HN ))
(( segid "B " and resid 63 and name HA ))
3.400 1.500 1.500 peak 880 spectrum 1 weight .10000E+01 volume .48060E-03 ppm1 7.479 ppm2 3.378 CV 1
ASSI { 881}
(( segid "B " and resid 66 and name HN ))
(( segid "B " and resid 65 and name HA ))
2.900 1.100 1.100 peak 881 spectrum 1 weight .10000E+01 volume .13155E-02 ppm1 7.479 ppm2 4.122 CV 1
ASSI { 886}
(( segid "B " and resid 44 and name HN ))
(( segid "B " and resid 40 and name HA ))
3.500 1.500 1.500 peak 886 spectrum 1 weight .10000E+01 volume .45131E-03 ppm1 7.686 ppm2 4.297 CV 1
ASSI { 887}
(( segid "B " and resid 44 and name HN ))
(( segid "B " and resid 43 and name HA ))
3.000 1.100 1.100 peak 887 spectrum 1 weight .10000E+01 volume .10074E-02 ppm1 7.686 ppm2 4.219 CV 1
ASSI { 890}
(( segid "B " and resid 44 and name HN ))
(( segid "B " and resid 44 and name HA ))
2.700 .900 .900 peak 890 spectrum 1 weight .10000E+01 volume .19677E-02 ppm1 7.686 ppm2 4.529 CV 1
ASSI { 897}
(( segid "B " and resid 64 and name HN ))
(( segid "B " and resid 64 and name HA ))
2.800 1.000 1.000 peak 897 spectrum 1 weight .10000E+01 volume .15673E-02 ppm1 7.905 ppm2 4.335 CV 1
ASSI { 898}
(( segid "B " and resid 64 and name HN ))
(( segid "B " and resid 61 and name HA ))
3.200 1.300 1.300 peak 898 spectrum 1 weight .10000E+01 volume .76153E-03 ppm1 7.903 ppm2 4.128 CV 1
ASSI { 899}
(( segid "B " and resid 64 and name HN ))
(( segid "B " and resid 62 and name HA ))
3.600 1.600 1.600 peak 899 spectrum 1 weight .10000E+01 volume .38968E-03 ppm1 7.907 ppm2 3.971 CV 1
ASSI { 900}
(( segid "B " and resid 64 and name HN ))
(( segid "B " and resid 63 and name HA ))
3.300 1.400 1.400 peak 900 spectrum 1 weight .10000E+01 volume .58787E-03 ppm1 7.904 ppm2 3.373 CV 1
ASSI { 904}
(( segid "B " and resid 12 and name HN ))
(( segid "B " and resid 11 and name HG2 ))
3.400 1.400 1.400 peak 904 spectrum 1 weight .10000E+01 volume .50825E-03 ppm1 7.597 ppm2 2.648 CV 1
ASSI { 905}
(( segid "B " and resid 12 and name HN ))
(( segid "B " and resid 12 and name HG3 ))
2.800 1.000 1.000 peak 905 spectrum 1 weight .10000E+01 volume .15285E-02 ppm1 7.595 ppm2 2.398 CV 1
ASSI { 906}
(( segid "B " and resid 12 and name HN ))
(( segid "B " and resid 12 and name HB3 ))
2.300 2.300 3.700 peak 906 spectrum 1 weight .10000E+01 volume .59983E-02 ppm1 7.596 ppm2 2.213 CV 1
ASSI { 907}
(( segid "B " and resid 12 and name HN ))
(( segid "B " and resid 12 and name HB2 ))
2.500 .800 .800 peak 907 spectrum 1 weight .10000E+01 volume .32005E-02 ppm1 7.596 ppm2 2.117 CV 1
ASSI { 908}
(( segid "B " and resid 12 and name HN ))
( segid "B " and resid 13 and name HB% )
3.300 1.400 1.400 peak 908 spectrum 1 weight .10000E+01 volume .59199E-03 ppm1 7.598 ppm2 1.369 CV 1
ASSI { 909}
(( segid "B " and resid 12 and name HN ))
(( segid "B " and resid 8 and name HA ))
3.600 1.600 1.600 peak 909 spectrum 1 weight .10000E+01 volume .37858E-03 ppm1 7.597 ppm2 4.241 CV 1
ASSI { 910}
(( segid "B " and resid 12 and name HN ))
(( segid "B " and resid 9 and name HA ))
3.200 1.300 1.300 peak 910 spectrum 1 weight .10000E+01 volume .67945E-03 ppm1 7.596 ppm2 4.149 CV 1
ASSI { 911}
(( segid "B " and resid 12 and name HN ))
(( segid "B " and resid 12 and name HA ))
2.600 .800 .800 peak 911 spectrum 1 weight .10000E+01 volume .26625E-02 ppm1 7.596 ppm2 4.026 CV 1
ASSI { 912}
(( segid "B " and resid 12 and name HN ))
(( segid "B " and resid 13 and name HA ))
3.600 1.600 1.600 peak 912 spectrum 1 weight .10000E+01 volume .35594E-03 ppm1 7.596 ppm2 3.854 CV 1
ASSI { 913}
(( segid "B " and resid 12 and name HN ))
(( segid "B " and resid 11 and name HA ))
3.100 1.200 1.200 peak 913 spectrum 1 weight .10000E+01 volume .83126E-03 ppm1 7.595 ppm2 3.791 CV 1
ASSI { 914}
(( segid "B " and resid 12 and name HN ))
(( segid "B " and resid 11 and name HN ))
2.800 1.000 1.000 peak 914 spectrum 1 weight .10000E+01 volume .16080E-02 ppm1 7.595 ppm2 8.440 CV 1
ASSI { 917}
(( segid "B " and resid 65 and name HN ))
(( segid "B " and resid 64 and name HN ))
3.000 1.100 1.100 peak 917 spectrum 1 weight .10000E+01 volume .11246E-02 ppm1 7.216 ppm2 7.918 CV 1
ASSI { 921}
(( segid "B " and resid 65 and name HN ))
(( segid "B " and resid 64 and name HA ))
3.000 1.100 1.100 peak 921 spectrum 1 weight .10000E+01 volume .11786E-02 ppm1 7.217 ppm2 4.335 CV 1
ASSI { 922}
(( segid "B " and resid 65 and name HN ))
(( segid "B " and resid 65 and name HA ))
2.600 .900 .900 peak 922 spectrum 1 weight .10000E+01 volume .23052E-02 ppm1 7.217 ppm2 4.119 CV 1
ASSI { 923}
(( segid "B " and resid 65 and name HN ))
(( segid "B " and resid 62 and name HA ))
3.500 1.500 1.500 peak 923 spectrum 1 weight .10000E+01 volume .42450E-03 ppm1 7.216 ppm2 3.963 CV 1
ASSI { 924}
(( segid "B " and resid 65 and name HN ))
(( segid "B " and resid 63 and name HA ))
3.600 1.600 1.600 peak 924 spectrum 1 weight .10000E+01 volume .34455E-03 ppm1 7.220 ppm2 3.371 CV 1
ASSI { 936}
(( segid "B " and resid 58 and name HN ))
(( segid "B " and resid 57 and name HA ))
3.200 1.300 1.300 peak 936 spectrum 1 weight .10000E+01 volume .70420E-03 ppm1 7.123 ppm2 4.083 CV 1
ASSI { 940}
(( segid "B " and resid 58 and name HN ))
(( segid "B " and resid 57 and name HB3 ))
3.200 1.300 1.300 peak 940 spectrum 1 weight .10000E+01 volume .76153E-03 ppm1 7.124 ppm2 2.080 CV 1
ASSI { 941}
(( segid "B " and resid 58 and name HN ))
(( segid "B " and resid 57 and name HB2 ))
2.500 2.500 3.500 peak 941 spectrum 1 weight .10000E+01 volume .33646E-02 ppm1 7.123 ppm2 1.932 CV 1
ASSI { 959}
(( segid "B " and resid 87 and name HN ))
(( segid "B " and resid 86 and name HA ))
3.200 1.300 1.300 peak 959 spectrum 1 weight .10000E+01 volume .73761E-03 ppm1 7.860 ppm2 3.244 CV 1
ASSI { 961}
(( segid "B " and resid 87 and name HN ))
(( segid "B " and resid 87 and name HA ))
2.900 1.000 1.000 peak 961 spectrum 1 weight .10000E+01 volume .13564E-02 ppm1 7.861 ppm2 4.058 CV 1
ASSI { 966}
(( segid "B " and resid 56 and name HN ))
(( segid "B " and resid 56 and name HA ))
2.800 1.000 1.000 peak 966 spectrum 1 weight .10000E+01 volume .17087E-02 ppm1 8.658 ppm2 4.372 CV 1
ASSI { 968}
(( segid "B " and resid 56 and name HN ))
(( segid "B " and resid 55 and name HA ))
2.400 2.400 3.600 peak 968 spectrum 1 weight .10000E+01 volume .37425E-02 ppm1 8.659 ppm2 3.290 CV 1
ASSI { 969}
(( segid "B " and resid 56 and name HN ))
(( segid "B " and resid 57 and name HN ))
2.900 1.100 1.100 peak 969 spectrum 1 weight .10000E+01 volume .12536E-02 ppm1 8.660 ppm2 8.256 CV 1
ASSI { 970}
(( segid "B " and resid 56 and name HN ))
(( segid "B " and resid 55 and name HN ))
2.900 1.000 1.000 peak 970 spectrum 1 weight .10000E+01 volume .14381E-02 ppm1 8.659 ppm2 7.711 CV 1
ASSI { 971}
(( segid "B " and resid 56 and name HN ))
(( segid "B " and resid 54 and name HN ))
3.700 1.700 1.700 peak 971 spectrum 1 weight .10000E+01 volume .31802E-03 ppm1 8.656 ppm2 7.509 CV 1
ASSI { 972}
(( segid "B " and resid 56 and name HN ))
(( segid "B " and resid 58 and name HN ))
3.400 1.500 1.500 peak 972 spectrum 1 weight .10000E+01 volume .48596E-03 ppm1 8.660 ppm2 7.124 CV 1
ASSI { 974}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 32 and name HN ))
2.600 .900 .900 peak 974 spectrum 1 weight .10000E+01 volume .22892E-02 ppm1 7.617 ppm2 8.101 CV 1
ASSI { 977}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 32 and name HA ))
3.200 1.300 1.300 peak 977 spectrum 1 weight .10000E+01 volume .72029E-03 ppm1 7.617 ppm2 4.723 CV 1
ASSI { 978}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 33 and name HA ))
2.800 1.000 1.000 peak 978 spectrum 1 weight .10000E+01 volume .16827E-02 ppm1 7.617 ppm2 4.618 CV 1
ASSI { 979}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 34 and name HA1 ))
3.300 1.400 1.400 peak 979 spectrum 1 weight .10000E+01 volume .61963E-03 ppm1 7.617 ppm2 3.832 CV 1
ASSI { 981}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 33 and name HB2 ))
3.400 1.400 1.400 peak 981 spectrum 1 weight .10000E+01 volume .50288E-03 ppm1 7.617 ppm2 2.875 CV 1
ASSI { 982}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 33 and name HB3 ))
2.900 1.000 1.000 peak 982 spectrum 1 weight .10000E+01 volume .14270E-02 ppm1 7.618 ppm2 2.796 CV 1
ASSI { 983}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 32 and name HB ))
2.700 .900 .900 peak 983 spectrum 1 weight .10000E+01 volume .19975E-02 ppm1 7.617 ppm2 2.081 CV 1
ASSI { 989}
(( segid "B " and resid 43 and name HN ))
(( segid "B " and resid 42 and name HN ))
2.700 .900 .900 peak 989 spectrum 1 weight .10000E+01 volume .19072E-02 ppm1 8.157 ppm2 7.826 CV 1
ASSI { 990}
(( segid "B " and resid 43 and name HN ))
(( segid "B " and resid 44 and name HN ))
2.700 .900 .900 peak 990 spectrum 1 weight .10000E+01 volume .18296E-02 ppm1 8.157 ppm2 7.699 CV 1
ASSI { 992}
(( segid "B " and resid 43 and name HN ))
(( segid "B " and resid 44 and name HA ))
3.500 3.500 2.500 peak 992 spectrum 1 weight .10000E+01 volume .46245E-03 ppm1 8.157 ppm2 4.530 CV 1
ASSI { 993}
(( segid "B " and resid 43 and name HN ))
(( segid "B " and resid 40 and name HA ))
3.000 1.100 1.100 peak 993 spectrum 1 weight .10000E+01 volume .10619E-02 ppm1 8.158 ppm2 4.297 CV 1
ASSI { 995}
(( segid "B " and resid 43 and name HN ))
(( segid "B " and resid 42 and name HA ))
2.900 1.000 1.000 peak 995 spectrum 1 weight .10000E+01 volume .13873E-02 ppm1 8.157 ppm2 4.058 CV 1
ASSI { 998}
(( segid "B " and resid 43 and name HN ))
( segid "B " and resid 41 and name HB% )
3.300 1.400 1.400 peak 998 spectrum 1 weight .10000E+01 volume .58456E-03 ppm1 8.156 ppm2 1.445 CV 1
ASSI { 1005}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 31 and name HA ))
3.100 1.200 1.200 peak 1005 spectrum 1 weight .10000E+01 volume .80526E-03 ppm1 8.958 ppm2 4.269 CV 1
ASSI { 1009}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 30 and name HB ))
3.000 1.100 1.100 peak 1009 spectrum 1 weight .10000E+01 volume .10813E-02 ppm1 8.957 ppm2 1.796 CV 1
ASSI { 1016}
(( segid "B " and resid 11 and name HN ))
(( segid "B " and resid 11 and name HG2 ))
2.800 1.000 1.000 peak 1016 spectrum 1 weight .10000E+01 volume .17594E-02 ppm1 8.424 ppm2 2.645 CV 1
ASSI { 1017}
(( segid "B " and resid 11 and name HN ))
(( segid "B " and resid 11 and name HB3 ))
2.500 .800 .800 peak 1017 spectrum 1 weight .10000E+01 volume .30887E-02 ppm1 8.424 ppm2 2.184 CV 1
ASSI { 1018}
(( segid "B " and resid 11 and name HN ))
(( segid "B " and resid 10 and name HN ))
3.100 1.200 1.200 peak 1018 spectrum 1 weight .10000E+01 volume .91501E-03 ppm1 8.424 ppm2 8.826 CV 1
ASSI { 1021}
(( segid "B " and resid 11 and name HN ))
( segid "B " and resid 10 and name HD% )
3.100 1.200 1.200 peak 1021 spectrum 1 weight .10000E+01 volume .86963E-03 ppm1 8.425 ppm2 6.983 CV 1
ASSI { 1022}
(( segid "B " and resid 11 and name HN ))
(( segid "B " and resid 8 and name HA ))
3.200 1.300 1.300 peak 1022 spectrum 1 weight .10000E+01 volume .75659E-03 ppm1 8.423 ppm2 4.240 CV 1
ASSI { 1023}
(( segid "B " and resid 11 and name HN ))
(( segid "B " and resid 12 and name HA ))
3.300 3.300 2.700 peak 1023 spectrum 1 weight .10000E+01 volume .63654E-03 ppm1 8.424 ppm2 4.038 CV 1
ASSI { 1024}
(( segid "B " and resid 11 and name HN ))
(( segid "B " and resid 11 and name HA ))
2.800 1.000 1.000 peak 1024 spectrum 1 weight .10000E+01 volume .15169E-02 ppm1 8.425 ppm2 3.791 CV 1
ASSI { 1043}
(( segid "B " and resid 55 and name HN ))
(( segid "B " and resid 54 and name HA ))
3.200 1.300 1.300 peak 1043 spectrum 1 weight .10000E+01 volume .74917E-03 ppm1 7.697 ppm2 4.174 CV 1
ASSI { 1045}
(( segid "B " and resid 55 and name HN ))
(( segid "B " and resid 55 and name HA ))
2.900 1.000 1.000 peak 1045 spectrum 1 weight .10000E+01 volume .13849E-02 ppm1 7.696 ppm2 3.355 CV 1
ASSI { 1046}
(( segid "B " and resid 55 and name HN ))
(( segid "B " and resid 55 and name HB ))
2.600 .800 .800 peak 1046 spectrum 1 weight .10000E+01 volume .25135E-02 ppm1 7.695 ppm2 2.168 CV 1
ASSI { 1047}
(( segid "B " and resid 55 and name HN ))
( segid "B " and resid 54 and name HB% )
2.700 .900 .900 peak 1047 spectrum 1 weight .10000E+01 volume .21365E-02 ppm1 7.695 ppm2 1.686 CV 1
ASSI { 1048}
(( segid "B " and resid 55 and name HN ))
( segid "B " and resid 55 and name HG1%)
2.500 2.500 3.500 peak 1048 spectrum 1 weight .10000E+01 volume .31311E-02 ppm1 7.695 ppm2 1.003 CV 1
ASSI { 1049}
(( segid "B " and resid 55 and name HN ))
( segid "B " and resid 58 and name HG2%)
3.400 3.400 2.600 peak 1049 spectrum 1 weight .10000E+01 volume .53258E-03 ppm1 7.695 ppm2 .630 CV 1
ASSI { 1050}
(( segid "B " and resid 55 and name HN ))
( segid "B " and resid 55 and name HG2%)
2.800 1.000 1.000 peak 1050 spectrum 1 weight .10000E+01 volume .16023E-02 ppm1 7.696 ppm2 .911 CV 1
ASSI { 1055}
(( segid "B " and resid 99 and name HN ))
(( segid "B " and resid 99 and name HA ))
2.300 .600 .600 peak 1055 spectrum 1 weight .10000E+01 volume .55815E-02 ppm1 8.039 ppm2 4.309 CV 1
ASSI { 1056}
(( segid "B " and resid 99 and name HN ))
(( segid "B " and resid 99 and name HB ))
2.600 2.600 3.400 peak 1056 spectrum 1 weight .10000E+01 volume .25784E-02 ppm1 8.038 ppm2 4.228 CV 1
ASSI { 1058}
(( segid "B " and resid 99 and name HN ))
(( segid "B " and resid 98 and name HB2 ))
3.100 1.200 1.200 peak 1058 spectrum 1 weight .10000E+01 volume .95956E-03 ppm1 8.039 ppm2 2.060 CV 1
ASSI { 1059}
(( segid "B " and resid 99 and name HN ))
(( segid "B " and resid 99 and name HG1 ))
2.800 1.000 1.000 peak 1059 spectrum 1 weight .10000E+01 volume .16551E-02 ppm1 8.038 ppm2 1.242 CV 1
ASSI { 1063}
(( segid "B " and resid 52 and name HN ))
(( segid "B " and resid 54 and name HN ))
3.700 1.700 1.700 peak 1063 spectrum 1 weight .10000E+01 volume .30210E-03 ppm1 8.332 ppm2 7.510 CV 1
ASSI { 1065}
(( segid "B " and resid 52 and name HN ))
(( segid "B " and resid 52 and name HB3 ))
2.600 .900 .900 peak 1065 spectrum 1 weight .10000E+01 volume .24674E-02 ppm1 8.330 ppm2 4.124 CV 1
ASSI { 1066}
(( segid "B " and resid 52 and name HN ))
(( segid "B " and resid 52 and name HB2 ))
2.300 .700 .700 peak 1066 spectrum 1 weight .10000E+01 volume .47153E-02 ppm1 8.329 ppm2 4.018 CV 1
ASSI { 1068}
(( segid "B " and resid 52 and name HN ))
(( segid "B " and resid 51 and name HA ))
3.200 1.300 1.300 peak 1068 spectrum 1 weight .10000E+01 volume .67779E-03 ppm1 8.329 ppm2 3.618 CV 1
ASSI { 1069}
(( segid "B " and resid 52 and name HN ))
(( segid "B " and resid 51 and name HB ))
2.700 .900 .900 peak 1069 spectrum 1 weight .10000E+01 volume .22265E-02 ppm1 8.330 ppm2 2.273 CV 1
ASSI { 1074}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 16 and name HA1 ))
2.800 1.000 1.000 peak 1074 spectrum 1 weight .10000E+01 volume .15388E-02 ppm1 8.913 ppm2 3.804 CV 1
ASSI { 1075}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 15 and name HG2 ))
3.300 1.400 1.400 peak 1075 spectrum 1 weight .10000E+01 volume .56187E-03 ppm1 8.913 ppm2 2.482 CV 1
ASSI { 1076}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 15 and name HB2 ))
3.200 1.300 1.300 peak 1076 spectrum 1 weight .10000E+01 volume .69223E-03 ppm1 8.914 ppm2 2.082 CV 1
ASSI { 1081}
(( segid "B " and resid 76 and name HN ))
(( segid "B " and resid 77 and name HN ))
3.800 1.800 1.800 peak 1081 spectrum 1 weight .10000E+01 volume .26596E-03 ppm1 9.090 ppm2 8.723 CV 1
ASSI { 1082}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 12 and name HN ))
3.800 1.800 1.800 peak 1082 spectrum 1 weight .10000E+01 volume .26135E-03 ppm1 7.297 ppm2 7.606 CV 1
ASSI { 1087}
(( segid "B " and resid 100 and name HN ))
(( segid "B " and resid 100 and name HA ))
2.300 .700 .700 peak 1087 spectrum 1 weight .10000E+01 volume .53217E-02 ppm1 8.231 ppm2 4.324 CV 1
ASSI { 1089}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 34 and name HA2 ))
2.500 .800 .800 peak 1089 spectrum 1 weight .10000E+01 volume .31303E-02 ppm1 6.874 ppm2 3.887 CV 1
ASSI { 1090}
(( segid "B " and resid 34 and name HN ))
(( segid "B " and resid 34 and name HA1 ))
2.500 .800 .800 peak 1090 spectrum 1 weight .10000E+01 volume .34644E-02 ppm1 6.871 ppm2 3.833 CV 1
ASSI { 1091}
(( segid "B " and resid 49 and name HN ))
(( segid "B " and resid 47 and name HN ))
3.800 1.800 1.800 peak 1091 spectrum 1 weight .10000E+01 volume .27251E-03 ppm1 8.758 ppm2 7.967 CV 1
ASSI { 1093}
(( segid "B " and resid 49 and name HN ))
(( segid "B " and resid 47 and name HA ))
3.900 1.900 1.900 peak 1093 spectrum 1 weight .10000E+01 volume .21732E-03 ppm1 8.759 ppm2 4.403 CV 1
ASSI { 1095}
(( segid "B " and resid 49 and name HN ))
(( segid "B " and resid 48 and name HA ))
3.100 1.200 1.200 peak 1095 spectrum 1 weight .10000E+01 volume .82218E-03 ppm1 8.759 ppm2 3.884 CV 1
ASSI { 1096}
(( segid "B " and resid 49 and name HN ))
(( segid "B " and resid 48 and name HB2 ))
3.800 1.800 1.800 peak 1096 spectrum 1 weight .10000E+01 volume .26736E-03 ppm1 8.765 ppm2 1.878 CV 1
OR { 1096}
(( segid "B " and resid 49 and name HN ))
(( segid "B " and resid 48 and name HB3 ))
ASSI { 1099}
(( segid "B " and resid 45 and name HN ))
(( segid "B " and resid 45 and name HA2 ))
2.200 2.200 3.800 peak 1099 spectrum 1 weight .10000E+01 volume .63530E-02 ppm1 7.614 ppm2 3.926 CV 1
ASSI { 1101}
(( segid "B " and resid 6 and name HN ))
(( segid "B " and resid 10 and name HN ))
3.800 1.800 1.800 peak 1101 spectrum 1 weight .10000E+01 volume .24353E-03 ppm1 8.630 ppm2 8.825 CV 1
ASSI { 1110}
(( segid "B " and resid 53 and name HN ))
(( segid "B " and resid 54 and name HN ))
2.700 .900 .900 peak 1110 spectrum 1 weight .10000E+01 volume .18217E-02 ppm1 8.272 ppm2 7.509 CV 1
ASSI { 1115}
(( segid "B " and resid 85 and name HN ))
( segid "B " and resid 84 and name HD% )
3.400 1.500 1.500 peak 1115 spectrum 1 weight .10000E+01 volume .47359E-03 ppm1 6.799 ppm2 7.054 CV 1
ASSI { 1117}
(( segid "B " and resid 85 and name HN ))
(( segid "B " and resid 84 and name HA ))
3.500 1.600 1.600 peak 1117 spectrum 1 weight .10000E+01 volume .40495E-03 ppm1 6.802 ppm2 4.033 CV 1
ASSI { 1118}
(( segid "B " and resid 85 and name HN ))
(( segid "B " and resid 85 and name HA ))
3.000 1.100 1.100 peak 1118 spectrum 1 weight .10000E+01 volume .11056E-02 ppm1 6.800 ppm2 3.233 CV 1
ASSI { 1119}
(( segid "B " and resid 85 and name HN ))
(( segid "B " and resid 84 and name HB2 ))
3.300 1.300 1.300 peak 1119 spectrum 1 weight .10000E+01 volume .62664E-03 ppm1 6.798 ppm2 3.066 CV 1
ASSI { 1120}
(( segid "B " and resid 85 and name HN ))
(( segid "B " and resid 84 and name HB3 ))
3.200 1.300 1.300 peak 1120 spectrum 1 weight .10000E+01 volume .71080E-03 ppm1 6.799 ppm2 2.999 CV 1
ASSI { 1121}
(( segid "B " and resid 85 and name HN ))
(( segid "B " and resid 86 and name HB ))
3.900 1.900 1.900 peak 1121 spectrum 1 weight .10000E+01 volume .23767E-03 ppm1 6.800 ppm2 2.076 CV 1
ASSI { 1122}
(( segid "B " and resid 85 and name HN ))
(( segid "B " and resid 85 and name HB ))
2.700 .900 .900 peak 1122 spectrum 1 weight .10000E+01 volume .18787E-02 ppm1 6.799 ppm2 1.680 CV 1
ASSI { 1123}
(( segid "B " and resid 85 and name HN ))
( segid "B " and resid 86 and name HG1%)
3.000 3.000 3.000 peak 1123 spectrum 1 weight .10000E+01 volume .10272E-02 ppm1 6.799 ppm2 .974 CV 1
ASSI { 1124}
(( segid "B " and resid 85 and name HN ))
( segid "B " and resid 86 and name HG2%)
3.500 1.600 1.600 peak 1124 spectrum 1 weight .10000E+01 volume .40078E-03 ppm1 6.799 ppm2 .851 CV 1
ASSI { 1125}
(( segid "B " and resid 85 and name HN ))
( segid "B " and resid 85 and name HD1%)
3.000 1.100 1.100 peak 1125 spectrum 1 weight .10000E+01 volume .10330E-02 ppm1 6.799 ppm2 .761 CV 1
ASSI { 1126}
(( segid "B " and resid 85 and name HN ))
( segid "B " and resid 85 and name HG2%)
3.100 1.200 1.200 peak 1126 spectrum 1 weight .10000E+01 volume .92655E-03 ppm1 6.798 ppm2 -.091 CV 1
ASSI { 1128}
(( segid "B " and resid 10 and name HN ))
(( segid "B " and resid 8 and name HN ))
3.000 1.100 1.100 peak 1128 spectrum 1 weight .10000E+01 volume .10883E-02 ppm1 8.810 ppm2 8.438 CV 1
ASSI { 1131}
(( segid "B " and resid 59 and name HN ))
(( segid "B " and resid 58 and name HN ))
2.700 .900 .900 peak 1131 spectrum 1 weight .10000E+01 volume .19884E-02 ppm1 8.804 ppm2 7.131 CV 1
ASSI { 1134}
(( segid "B " and resid 71 and name HN ))
(( segid "B " and resid 72 and name HN ))
3.400 1.400 1.400 peak 1134 spectrum 1 weight .10000E+01 volume .52969E-03 ppm1 7.985 ppm2 9.266 CV 1
ASSI { 1135}
(( segid "B " and resid 7 and name HN ))
(( segid "B " and resid 6 and name HN ))
4.100 2.100 1.900 peak 1135 spectrum 1 weight .10000E+01 volume .15659E-03 ppm1 9.153 ppm2 8.646 CV 1
ASSI { 1140}
(( segid "B " and resid 89 and name HN ))
(( segid "B " and resid 88 and name HN ))
3.000 1.100 1.100 peak 1140 spectrum 1 weight .10000E+01 volume .10309E-02 ppm1 8.888 ppm2 7.555 CV 1
ASSI { 1143}
(( segid "B " and resid 73 and name HN ))
(( segid "B " and resid 72 and name HN ))
3.700 1.700 1.700 peak 1143 spectrum 1 weight .10000E+01 volume .30000E-03 ppm1 8.642 ppm2 9.257 CV 1
ASSI { 1147}
(( segid "B " and resid 88 and name HN ))
(( segid "B " and resid 87 and name HN ))
3.000 1.100 1.100 peak 1147 spectrum 1 weight .10000E+01 volume .11332E-02 ppm1 7.539 ppm2 7.876 CV 1
ASSI { 1148}
(( segid "B " and resid 54 and name HN ))
(( segid "B " and resid 55 and name HN ))
2.700 .900 .900 peak 1148 spectrum 1 weight .10000E+01 volume .18634E-02 ppm1 7.495 ppm2 7.711 CV 1
ASSI { 1152}
(( segid "B " and resid 88 and name HN ))
(( segid "B " and resid 88 and name HA ))
2.700 .900 .900 peak 1152 spectrum 1 weight .10000E+01 volume .19422E-02 ppm1 7.536 ppm2 4.133 CV 1
ASSI { 1153}
(( segid "B " and resid 88 and name HN ))
(( segid "B " and resid 87 and name HA ))
3.200 1.300 1.300 peak 1153 spectrum 1 weight .10000E+01 volume .73183E-03 ppm1 7.537 ppm2 4.072 CV 1
ASSI { 1173}
(( segid "B " and resid 88 and name HN ))
( segid "B " and resid 85 and name HG2%)
3.800 1.800 1.800 peak 1173 spectrum 1 weight .10000E+01 volume .24937E-03 ppm1 7.538 ppm2 -.089 CV 1
ASSI { 1175}
(( segid "B " and resid 77 and name HN ))
(( segid "B " and resid 78 and name HA ))
4.000 2.000 2.000 peak 1175 spectrum 1 weight .10000E+01 volume .20466E-03 ppm1 8.708 ppm2 5.011 CV 1
ASSI { 1177}
(( segid "B " and resid 50 and name HN ))
(( segid "B " and resid 49 and name HN ))
3.900 1.900 1.900 peak 1177 spectrum 1 weight .10000E+01 volume .23716E-03 ppm1 7.946 ppm2 8.769 CV 1
ASSI { 1178}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 18 and name HN ))
2.900 1.000 1.000 peak 1178 spectrum 1 weight .10000E+01 volume .14108E-02 ppm1 7.569 ppm2 8.789 CV 1
ASSI { 1183}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 18 and name HA ))
2.100 .600 .600 peak 1183 spectrum 1 weight .10000E+01 volume .87045E-02 ppm1 7.567 ppm2 4.460 CV 1
ASSI { 1185}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 19 and name HB ))
2.500 2.500 3.500 peak 1185 spectrum 1 weight .10000E+01 volume .30136E-02 ppm1 7.569 ppm2 2.159 CV 1
ASSI { 1186}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 22 and name HB3 ))
2.600 .900 .900 peak 1186 spectrum 1 weight .10000E+01 volume .24653E-02 ppm1 7.569 ppm2 2.066 CV 1
ASSI { 1187}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 18 and name HB3 ))
3.100 1.200 1.200 peak 1187 spectrum 1 weight .10000E+01 volume .90964E-03 ppm1 7.567 ppm2 1.904 CV 1
ASSI { 1188}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 17 and name HB2 ))
3.300 3.300 2.700 peak 1188 spectrum 1 weight .10000E+01 volume .63490E-03 ppm1 7.568 ppm2 1.572 CV 1
ASSI { 1189}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 17 and name HB3 ))
3.100 3.100 2.900 peak 1189 spectrum 1 weight .10000E+01 volume .83414E-03 ppm1 7.566 ppm2 1.508 CV 1
ASSI { 1191}
(( segid "B " and resid 19 and name HN ))
( segid "B " and resid 19 and name HG2%)
2.300 .600 .600 peak 1191 spectrum 1 weight .10000E+01 volume .59075E-02 ppm1 7.568 ppm2 .785 CV 1
ASSI { 1195}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 22 and name HA ))
3.100 1.200 1.200 peak 1195 spectrum 1 weight .10000E+01 volume .93440E-03 ppm1 7.569 ppm2 4.174 CV 1
ASSI { 1200}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 31 and name HN ))
2.900 1.000 1.000 peak 1200 spectrum 1 weight .10000E+01 volume .13873E-02 ppm1 7.942 ppm2 8.971 CV 1
ASSI { 1204}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 30 and name HN ))
3.300 1.400 1.400 peak 1204 spectrum 1 weight .10000E+01 volume .56105E-03 ppm1 7.862 ppm2 7.986 CV 1
ASSI { 1214}
(( segid "B " and resid 55 and name HN ))
(( segid "B " and resid 58 and name HN ))
3.900 1.900 1.900 peak 1214 spectrum 1 weight .10000E+01 volume .21386E-03 ppm1 7.692 ppm2 7.130 CV 1
ASSI { 1229}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 33 and name HN ))
3.900 1.900 1.900 peak 1229 spectrum 1 weight .10000E+01 volume .20696E-03 ppm1 7.855 ppm2 7.576 CV 1
ASSI { 1230}
(( segid "B " and resid 29 and name HN ))
(( segid "B " and resid 27 and name HN ))
3.900 1.900 1.900 peak 1230 spectrum 1 weight .10000E+01 volume .21080E-03 ppm1 7.857 ppm2 8.368 CV 1
ASSI { 1242}
(( segid "B " and resid 4 and name HN ))
(( segid "B " and resid 3 and name HN ))
3.500 1.500 1.500 peak 1242 spectrum 1 weight .10000E+01 volume .43275E-03 ppm1 7.820 ppm2 8.138 CV 1
ASSI { 1243}
(( segid "B " and resid 8 and name HN ))
(( segid "B " and resid 6 and name HN ))
4.300 2.400 1.700 peak 1243 spectrum 1 weight .10000E+01 volume .11724E-03 ppm1 8.413 ppm2 8.633 CV 1
ASSI { 1245}
(( segid "B " and resid 9 and name HN ))
(( segid "B " and resid 7 and name HN ))
4.400 2.400 1.600 peak 1245 spectrum 1 weight .10000E+01 volume .11233E-03 ppm1 7.684 ppm2 9.175 CV 1
ASSI { 1249}
(( segid "B " and resid 12 and name HN ))
(( segid "B " and resid 10 and name HN ))
4.200 2.200 1.800 peak 1249 spectrum 1 weight .10000E+01 volume .13647E-03 ppm1 7.597 ppm2 8.827 CV 1
ASSI { 1252}
(( segid "B " and resid 10 and name HN ))
(( segid "B " and resid 10 and name HA ))
2.900 1.100 1.100 peak 1252 spectrum 1 weight .10000E+01 volume .11992E-02 ppm1 8.810 ppm2 3.732 CV 1
ASSI { 1254}
(( segid "B " and resid 10 and name HN ))
(( segid "B " and resid 10 and name HB3 ))
2.900 1.000 1.000 peak 1254 spectrum 1 weight .10000E+01 volume .14204E-02 ppm1 8.810 ppm2 2.754 CV 1
ASSI { 1257}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 31 and name HN ))
3.800 1.800 1.800 peak 1257 spectrum 1 weight .10000E+01 volume .24669E-03 ppm1 7.616 ppm2 8.971 CV 1
ASSI { 1258}
(( segid "B " and resid 33 and name HN ))
(( segid "B " and resid 35 and name HN ))
3.800 1.800 1.800 peak 1258 spectrum 1 weight .10000E+01 volume .26377E-03 ppm1 7.614 ppm2 8.583 CV 1
ASSI { 1261}
(( segid "B " and resid 39 and name HN ))
(( segid "B " and resid 40 and name HN ))
2.600 .800 .800 peak 1261 spectrum 1 weight .10000E+01 volume .27957E-02 ppm1 7.332 ppm2 7.399 CV 1
ASSI { 1263}
(( segid "B " and resid 40 and name HN ))
(( segid "B " and resid 38 and name HN ))
4.300 2.300 1.700 peak 1263 spectrum 1 weight .10000E+01 volume .11943E-03 ppm1 7.389 ppm2 8.944 CV 1
ASSI { 1264}
(( segid "B " and resid 41 and name HN ))
(( segid "B " and resid 43 and name HN ))
3.800 1.800 1.800 peak 1264 spectrum 1 weight .10000E+01 volume .27355E-03 ppm1 7.616 ppm2 8.174 CV 1
ASSI { 1265}
(( segid "B " and resid 49 and name HN ))
(( segid "B " and resid 48 and name HN ))
4.200 2.200 1.800 peak 1265 spectrum 1 weight .10000E+01 volume .13539E-03 ppm1 8.763 ppm2 9.024 CV 1
ASSI { 1267}
(( segid "B " and resid 53 and name HN ))
(( segid "B " and resid 55 and name HN ))
3.400 1.500 1.500 peak 1267 spectrum 1 weight .10000E+01 volume .47689E-03 ppm1 8.273 ppm2 7.739 CV 1
ASSI { 1274}
(( segid "B " and resid 60 and name HN ))
(( segid "B " and resid 57 and name HN ))
3.800 1.800 1.800 peak 1274 spectrum 1 weight .10000E+01 volume .27256E-03 ppm1 8.724 ppm2 8.253 CV 1
ASSI { 1279}
(( segid "B " and resid 63 and name HN ))
(( segid "B " and resid 65 and name HN ))
3.800 1.800 1.800 peak 1279 spectrum 1 weight .10000E+01 volume .27437E-03 ppm1 8.232 ppm2 7.233 CV 1
ASSI { 1280}
(( segid "B " and resid 63 and name HN ))
(( segid "B " and resid 61 and name HN ))
3.500 1.500 1.500 peak 1280 spectrum 1 weight .10000E+01 volume .45998E-03 ppm1 8.232 ppm2 7.080 CV 1
ASSI { 1281}
(( segid "B " and resid 63 and name HN ))
( segid "B " and resid 62 and name HD% )
3.000 1.200 1.200 peak 1281 spectrum 1 weight .10000E+01 volume .99049E-03 ppm1 8.232 ppm2 6.429 CV 1
ASSI { 1283}
(( segid "B " and resid 65 and name HN ))
(( segid "B " and resid 67 and name HN ))
4.200 2.200 1.800 peak 1283 spectrum 1 weight .10000E+01 volume .14851E-03 ppm1 7.214 ppm2 7.747 CV 1
ASSI { 1284}
(( segid "B " and resid 66 and name HN ))
(( segid "B " and resid 64 and name HN ))
3.900 1.900 1.900 peak 1284 spectrum 1 weight .10000E+01 volume .23531E-03 ppm1 7.477 ppm2 7.921 CV 1
ASSI { 1287}
(( segid "B " and resid 82 and name HN ))
(( segid "B " and resid 84 and name HN ))
3.800 1.800 1.800 peak 1287 spectrum 1 weight .10000E+01 volume .25883E-03 ppm1 6.526 ppm2 7.870 CV 1
ASSI { 1295}
(( segid "B " and resid 5 and name HN ))
(( segid "B " and resid 6 and name HN ))
3.700 1.700 1.700 peak 1295 spectrum 1 weight .10000E+01 volume .32380E-03 ppm1 8.089 ppm2 8.649 CV 1
ASSI { 1297}
(( segid "B " and resid 4 and name HN ))
(( segid "B " and resid 5 and name HN ))
3.300 1.400 1.400 peak 1297 spectrum 1 weight .10000E+01 volume .61261E-03 ppm1 7.822 ppm2 8.093 CV 1
ASSI { 1299}
(( segid "B " and resid 6 and name HN ))
(( segid "B " and resid 5 and name HB2 ))
3.900 1.900 1.900 peak 1299 spectrum 1 weight .10000E+01 volume .21786E-03 ppm1 8.643 ppm2 1.227 CV 1
ASSI { 1300}
(( segid "B " and resid 6 and name HN ))
(( segid "B " and resid 5 and name HB3 ))
3.900 1.900 1.900 peak 1300 spectrum 1 weight .10000E+01 volume .21687E-03 ppm1 8.643 ppm2 1.351 CV 1
ASSI { 1301}
(( segid "B " and resid 31 and name HN ))
(( segid "B " and resid 30 and name HA ))
3.800 1.800 1.800 peak 1301 spectrum 1 weight .10000E+01 volume .24649E-03 ppm1 8.959 ppm2 4.411 CV 1
ASSI { 1302}
(( segid "B " and resid 65 and name HN ))
(( segid "B " and resid 64 and name HB2 ))
3.100 1.200 1.200 peak 1302 spectrum 1 weight .10000E+01 volume .87128E-03 ppm1 7.216 ppm2 2.595 CV 1
ASSI { 1303}
(( segid "B " and resid 65 and name HN ))
(( segid "B " and resid 64 and name HB3 ))
3.100 1.200 1.200 peak 1303 spectrum 1 weight .10000E+01 volume .90510E-03 ppm1 7.216 ppm2 2.649 CV 1
ASSI { 1304}
(( segid "B " and resid 44 and name HN ))
(( segid "B " and resid 43 and name HB2 ))
2.800 1.000 1.000 peak 1304 spectrum 1 weight .10000E+01 volume .16460E-02 ppm1 7.686 ppm2 3.898 CV 1
ASSI { 1305}
(( segid "B " and resid 44 and name HN ))
(( segid "B " and resid 43 and name HB3 ))
2.800 1.000 1.000 peak 1305 spectrum 1 weight .10000E+01 volume .14971E-02 ppm1 7.686 ppm2 3.951 CV 1
ASSI { 1307}
(( segid "B " and resid 57 and name HN ))
(( segid "B " and resid 56 and name HB2 ))
2.700 .900 .900 peak 1307 spectrum 1 weight .10000E+01 volume .19109E-02 ppm1 8.238 ppm2 3.310 CV 1
OR { 1307}
(( segid "B " and resid 57 and name HN ))
(( segid "B " and resid 56 and name HB3 ))
ASSI { 1308}
(( segid "B " and resid 82 and name HN ))
(( segid "B " and resid 81 and name HB3 ))
3.700 1.800 1.800 peak 1308 spectrum 1 weight .10000E+01 volume .28180E-03 ppm1 6.528 ppm2 3.072 CV 1
ASSI { 1309}
(( segid "B " and resid 82 and name HN ))
(( segid "B " and resid 81 and name HB2 ))
3.800 1.800 1.800 peak 1309 spectrum 1 weight .10000E+01 volume .26712E-03 ppm1 6.521 ppm2 2.952 CV 1
ASSI { 1311}
(( segid "B " and resid 18 and name HN ))
(( segid "B " and resid 17 and name HB2 ))
3.200 1.300 1.300 peak 1311 spectrum 1 weight .10000E+01 volume .66872E-03 ppm1 8.772 ppm2 1.568 CV 1
ASSI { 1316}
(( segid "B " and resid 28 and name HN ))
(( segid "B " and resid 24 and name HA ))
3.900 1.900 1.900 peak 1316 spectrum 1 weight .10000E+01 volume .23440E-03 ppm1 9.098 ppm2 3.562 CV 1
ASSI { 1321}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 34 and name HA1 ))
3.000 1.100 1.100 peak 1321 spectrum 1 weight .10000E+01 volume .11815E-02 ppm1 8.567 ppm2 3.834 CV 1
ASSI { 1322}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 34 and name HA2 ))
3.000 1.100 1.100 peak 1322 spectrum 1 weight .10000E+01 volume .10738E-02 ppm1 8.567 ppm2 3.883 CV 1
ASSI { 1323}
(( segid "B " and resid 39 and name HN ))
(( segid "B " and resid 40 and name HA ))
3.900 1.900 1.900 peak 1323 spectrum 1 weight .10000E+01 volume .23655E-03 ppm1 7.325 ppm2 4.291 CV 1
ASSI { 1329}
(( segid "B " and resid 53 and name HN ))
(( segid "B " and resid 53 and name HA ))
2.400 .700 .700 peak 1329 spectrum 1 weight .10000E+01 volume .38890E-02 ppm1 8.271 ppm2 4.153 CV 1
ASSI { 1330}
(( segid "B " and resid 53 and name HN ))
(( segid "B " and resid 52 and name HB2 ))
2.600 2.600 3.400 peak 1330 spectrum 1 weight .10000E+01 volume .24220E-02 ppm1 8.271 ppm2 4.016 CV 1
ASSI { 1334}
(( segid "B " and resid 63 and name HN ))
(( segid "B " and resid 63 and name HA ))
2.700 .900 .900 peak 1334 spectrum 1 weight .10000E+01 volume .18725E-02 ppm1 8.234 ppm2 3.371 CV 1
ASSI { 1335}
(( segid "B " and resid 63 and name HN ))
(( segid "B " and resid 62 and name HA ))
2.800 1.000 1.000 peak 1335 spectrum 1 weight .10000E+01 volume .17574E-02 ppm1 8.236 ppm2 3.974 CV 1
ASSI { 1336}
(( segid "B " and resid 63 and name HN ))
(( segid "B " and resid 64 and name HA ))
4.200 2.200 1.800 peak 1336 spectrum 1 weight .10000E+01 volume .14439E-03 ppm1 8.233 ppm2 4.342 CV 1
ASSI { 1337}
(( segid "B " and resid 71 and name HN ))
(( segid "B " and resid 71 and name HA ))
3.000 1.100 1.100 peak 1337 spectrum 1 weight .10000E+01 volume .11766E-02 ppm1 7.986 ppm2 5.021 CV 1
ASSI { 1340}
(( segid "B " and resid 71 and name HN ))
(( segid "B " and resid 70 and name HA2 ))
2.900 1.100 1.100 peak 1340 spectrum 1 weight .10000E+01 volume .12714E-02 ppm1 7.987 ppm2 3.777 CV 1
ASSI { 1341}
(( segid "B " and resid 71 and name HN ))
(( segid "B " and resid 71 and name HB2 ))
2.800 1.000 1.000 peak 1341 spectrum 1 weight .10000E+01 volume .15788E-02 ppm1 7.986 ppm2 3.039 CV 1
ASSI { 1342}
(( segid "B " and resid 71 and name HN ))
(( segid "B " and resid 71 and name HB3 ))
3.000 1.100 1.100 peak 1342 spectrum 1 weight .10000E+01 volume .11019E-02 ppm1 7.986 ppm2 2.466 CV 1
ASSI { 1356}
(( segid "B " and resid 82 and name HN ))
(( segid "B " and resid 83 and name HA ))
3.300 3.300 2.700 peak 1356 spectrum 1 weight .10000E+01 volume .64644E-03 ppm1 6.525 ppm2 3.700 CV 1
ASSI { 1357}
(( segid "B " and resid 89 and name HN ))
(( segid "B " and resid 89 and name HA ))
2.900 1.100 1.100 peak 1357 spectrum 1 weight .10000E+01 volume .12727E-02 ppm1 8.888 ppm2 4.750 CV 1
ASSI { 1358}
(( segid "B " and resid 89 and name HN ))
(( segid "B " and resid 88 and name HA ))
2.700 .900 .900 peak 1358 spectrum 1 weight .10000E+01 volume .19244E-02 ppm1 8.890 ppm2 4.123 CV 1
ASSI { 1360}
(( segid "B " and resid 90 and name HN ))
(( segid "B " and resid 89 and name HA ))
3.000 1.100 1.100 peak 1360 spectrum 1 weight .10000E+01 volume .11431E-02 ppm1 8.880 ppm2 4.757 CV 1
ASSI { 1361}
(( segid "B " and resid 90 and name HN ))
(( segid "B " and resid 90 and name HA ))
2.800 1.000 1.000 peak 1361 spectrum 1 weight .10000E+01 volume .16629E-02 ppm1 8.880 ppm2 4.122 CV 1
ASSI { 1362}
(( segid "B " and resid 91 and name HN ))
(( segid "B " and resid 90 and name HA ))
2.800 1.000 1.000 peak 1362 spectrum 1 weight .10000E+01 volume .16572E-02 ppm1 7.858 ppm2 4.125 CV 1
ASSI { 1363}
(( segid "B " and resid 91 and name HN ))
(( segid "B " and resid 92 and name HA ))
3.600 1.600 1.600 peak 1363 spectrum 1 weight .10000E+01 volume .34649E-03 ppm1 7.858 ppm2 4.482 CV 1
ASSI { 1364}
(( segid "B " and resid 92 and name HN ))
(( segid "B " and resid 93 and name HA ))
3.800 1.800 1.800 peak 1364 spectrum 1 weight .10000E+01 volume .27999E-03 ppm1 8.809 ppm2 4.352 CV 1
ASSI { 1365}
(( segid "B " and resid 99 and name HN ))
(( segid "B " and resid 98 and name HA ))
2.400 .700 .700 peak 1365 spectrum 1 weight .10000E+01 volume .40771E-02 ppm1 8.041 ppm2 4.324 CV 1
ASSI { 1366}
(( segid "B " and resid 50 and name HN ))
(( segid "B " and resid 47 and name HA ))
3.800 1.800 1.800 peak 1366 spectrum 1 weight .10000E+01 volume .27681E-03 ppm1 7.948 ppm2 4.402 CV 1
ASSI { 1367}
(( segid "B " and resid 50 and name HN ))
(( segid "B " and resid 51 and name HA ))
4.000 2.000 2.000 peak 1367 spectrum 1 weight .10000E+01 volume .19538E-03 ppm1 7.953 ppm2 3.614 CV 1
ASSI { 1370}
(( segid "B " and resid 43 and name HN ))
(( segid "B " and resid 40 and name HB2 ))
3.900 1.900 1.900 peak 1370 spectrum 1 weight .10000E+01 volume .23754E-03 ppm1 8.157 ppm2 2.995 CV 1
ASSI { 1376}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 12 and name HB3 ))
3.800 1.800 1.800 peak 1376 spectrum 1 weight .10000E+01 volume .27792E-03 ppm1 7.300 ppm2 2.198 CV 1
OR { 1376}
(( segid "B " and resid 14 and name HN ))
(( segid "B " and resid 12 and name HB2 ))
ASSI { 1388}
(( segid "B " and resid 10 and name HN ))
( segid "B " and resid 5 and name HD1%)
3.800 1.800 1.800 peak 1388 spectrum 1 weight .10000E+01 volume .25041E-03 ppm1 8.813 ppm2 .025 CV 1
ASSI { 1408}
(( segid "B " and resid 89 and name HN ))
( segid "B " and resid 86 and name HG2%)
3.100 3.100 2.900 peak 1408 spectrum 1 weight .10000E+01 volume .85683E-03 ppm1 8.891 ppm2 .848 CV 1
ASSI { 1413}
(( segid "B " and resid 89 and name HE1 ))
(( segid "B " and resid 89 and name HA ))
3.000 3.000 3.000 peak 1413 spectrum 1 weight .10000E+01 volume .10445E-02 ppm1 9.852 ppm2 4.750 CV 1
ASSI { 1414}
(( segid "B " and resid 89 and name HE1 ))
( segid "B " and resid 85 and name HD1%)
3.900 1.900 1.900 peak 1414 spectrum 1 weight .10000E+01 volume .23028E-03 ppm1 9.854 ppm2 .764 CV 1
ASSI { 1415}
(( segid "B " and resid 89 and name HE1 ))
( segid "B " and resid 85 and name HG2%)
2.800 1.000 1.000 peak 1415 spectrum 1 weight .10000E+01 volume .15045E-02 ppm1 9.853 ppm2 -.090 CV 1
ASSI { 1418}
(( segid "B " and resid 89 and name HE1 ))
(( segid "B " and resid 89 and name HZ2 ))
2.500 .800 .800 peak 1418 spectrum 1 weight .10000E+01 volume .30725E-02 ppm1 9.853 ppm2 7.467 CV 1
ASSI { 1419}
(( segid "B " and resid 89 and name HE1 ))
(( segid "B " and resid 89 and name HD1 ))
2.300 .700 .700 peak 1419 spectrum 1 weight .10000E+01 volume .52021E-02 ppm1 9.853 ppm2 7.133 CV 1
ASSI { 1420}
(( segid "B " and resid 89 and name HE1 ))
(( segid "B " and resid 89 and name HH2 ))
3.300 3.300 2.700 peak 1420 spectrum 1 weight .10000E+01 volume .60642E-03 ppm1 9.853 ppm2 6.848 CV 1
ASSI { 1422}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 59 and name HZ2 ))
2.600 .900 .900 peak 1422 spectrum 1 weight .10000E+01 volume .24083E-02 ppm1 9.981 ppm2 7.601 CV 1
ASSI { 1423}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 59 and name HH2 ))
3.800 1.800 1.800 peak 1423 spectrum 1 weight .10000E+01 volume .27133E-03 ppm1 9.978 ppm2 7.301 CV 1
ASSI { 1424}
(( segid "B " and resid 59 and name HE1 ))
(( segid "B " and resid 59 and name HD1 ))
2.300 .700 .700 peak 1424 spectrum 1 weight .10000E+01 volume .50411E-02 ppm1 9.981 ppm2 7.115 CV 1
ASSI { 1432}
(( segid "B " and resid 76 and name HN ))
(( segid "B " and resid 74 and name HB ))
3.900 1.900 1.900 peak 1432 spectrum 1 weight .10000E+01 volume .24034E-03 ppm1 9.084 ppm2 1.926 CV 1
ASSI { 1439}
(( segid "B " and resid 100 and name HN ))
(( segid "B " and resid 100 and name HB2 ))
2.600 .800 .800 peak 1439 spectrum 1 weight .10000E+01 volume .25351E-02 ppm1 8.230 ppm2 1.799 CV 1
ASSI { 1440}
(( segid "B " and resid 100 and name HN ))
(( segid "B " and resid 100 and name HG2 ))
3.100 1.200 1.200 peak 1440 spectrum 1 weight .10000E+01 volume .86302E-03 ppm1 8.230 ppm2 1.463 CV 1
ASSI { 1454}
(( segid "B " and resid 97 and name HE21))
(( segid "B " and resid 97 and name HE22))
1.800 .400 .400 peak 1454 spectrum 1 weight .10000E+01 volume .26398E-01 ppm1 7.067 ppm2 6.647 CV 1
ASSI { 1468}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 17 and name HB3 ))
3.900 1.900 1.900 peak 1468 spectrum 1 weight .10000E+01 volume .22920E-03 ppm1 8.913 ppm2 1.505 CV 1
ASSI { 1469}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 27 and name HN ))
2.700 .900 .900 peak 1469 spectrum 1 weight .10000E+01 volume .19018E-02 ppm1 8.116 ppm2 8.368 CV 1
ASSI { 1472}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 23 and name HA ))
3.400 1.400 1.400 peak 1472 spectrum 1 weight .10000E+01 volume .50907E-03 ppm1 8.115 ppm2 3.796 CV 1
ASSI { 1473}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 26 and name HA ))
2.900 1.000 1.000 peak 1473 spectrum 1 weight .10000E+01 volume .14525E-02 ppm1 8.117 ppm2 2.698 CV 1
ASSI { 1474}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 26 and name HB ))
2.600 .800 .800 peak 1474 spectrum 1 weight .10000E+01 volume .26522E-02 ppm1 8.115 ppm2 1.553 CV 1
ASSI { 1478}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 26 and name HG12))
4.100 2.100 1.900 peak 1478 spectrum 1 weight .10000E+01 volume .16304E-03 ppm1 8.117 ppm2 1.089 CV 1
ASSI { 1479}
(( segid "B " and resid 26 and name HN ))
( segid "B " and resid 27 and name HB% )
3.000 1.100 1.100 peak 1479 spectrum 1 weight .10000E+01 volume .11576E-02 ppm1 8.114 ppm2 1.665 CV 1
ASSI { 1484}
(( segid "B " and resid 26 and name HN ))
( segid "B " and resid 26 and name HG2%)
2.800 1.000 1.000 peak 1484 spectrum 1 weight .10000E+01 volume .15614E-02 ppm1 8.112 ppm2 .627 CV 1
ASSI { 1485}
(( segid "B " and resid 26 and name HN ))
( segid "B " and resid 26 and name HD1%)
2.800 1.000 1.000 peak 1485 spectrum 1 weight .10000E+01 volume .15132E-02 ppm1 8.120 ppm2 .683 CV 1
ASSI { 1486}
(( segid "B " and resid 30 and name HN ))
( segid "B " and resid 30 and name HG2%)
2.700 .900 .900 peak 1486 spectrum 1 weight .10000E+01 volume .22364E-02 ppm1 7.942 ppm2 1.003 CV 1
ASSI { 1487}
(( segid "B " and resid 30 and name HN ))
( segid "B " and resid 30 and name HG1%)
2.500 .800 .800 peak 1487 spectrum 1 weight .10000E+01 volume .35713E-02 ppm1 7.942 ppm2 .915 CV 1
ASSI { 1496}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 29 and name HA2 ))
3.200 1.300 1.300 peak 1496 spectrum 1 weight .10000E+01 volume .76195E-03 ppm1 7.942 ppm2 4.001 CV 1
ASSI { 1498}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 30 and name HA ))
2.900 1.100 1.100 peak 1498 spectrum 1 weight .10000E+01 volume .13110E-02 ppm1 7.942 ppm2 4.410 CV 1
ASSI { 1499}
(( segid "B " and resid 63 and name HN ))
(( segid "B " and resid 62 and name HB3 ))
3.000 1.100 1.100 peak 1499 spectrum 1 weight .10000E+01 volume .10701E-02 ppm1 8.233 ppm2 2.871 CV 1
ASSI { 1500}
(( segid "B " and resid 63 and name HN ))
(( segid "B " and resid 62 and name HB2 ))
3.000 1.100 1.100 peak 1500 spectrum 1 weight .10000E+01 volume .10474E-02 ppm1 8.232 ppm2 2.677 CV 1
ASSI { 1545}
(( segid "B " and resid 48 and name HE ))
(( segid "B " and resid 48 and name HD3 ))
3.700 1.700 1.700 peak 1545 spectrum 1 weight .10000E+01 volume .30313E-03 ppm1 7.106 ppm2 3.133 CV 1
ASSI { 1572}
(( segid "B " and resid 4 and name HE ))
(( segid "B " and resid 4 and name HD3 ))
3.900 1.900 1.900 peak 1572 spectrum 1 weight .10000E+01 volume .22310E-03 ppm1 6.644 ppm2 3.339 CV 1
ASSI { 1577}
(( segid "B " and resid 81 and name HN ))
(( segid "B " and resid 81 and name HA ))
3.400 1.400 1.400 peak 1577 spectrum 1 weight .10000E+01 volume .53217E-03 ppm1 8.499 ppm2 4.330 CV 1
ASSI { 1578}
(( segid "B " and resid 81 and name HN ))
(( segid "B " and resid 80 and name HA ))
3.900 1.900 1.900 peak 1578 spectrum 1 weight .10000E+01 volume .22079E-03 ppm1 8.500 ppm2 3.696 CV 1
ASSI { 1579}
(( segid "B " and resid 81 and name HN ))
(( segid "B " and resid 81 and name HB3 ))
3.500 1.500 1.500 peak 1579 spectrum 1 weight .10000E+01 volume .42284E-03 ppm1 8.500 ppm2 3.065 CV 1
ASSI { 1580}
(( segid "B " and resid 81 and name HN ))
(( segid "B " and resid 81 and name HB2 ))
3.600 1.600 1.600 peak 1580 spectrum 1 weight .10000E+01 volume .35672E-03 ppm1 8.503 ppm2 2.944 CV 1
ASSI { 1605}
(( segid "B " and resid 5 and name HN ))
( segid "B " and resid 5 and name HD1%)
3.300 1.400 1.400 peak 1605 spectrum 1 weight .10000E+01 volume .56394E-03 ppm1 8.079 ppm2 .026 CV 1
ASSI { 1606}
(( segid "B " and resid 4 and name HN ))
( segid "B " and resid 5 and name HD1%)
4.500 2.600 1.500 peak 1606 spectrum 1 weight .10000E+01 volume .89644E-04 ppm1 7.816 ppm2 .033 CV 1
ASSI { 1607}
(( segid "B " and resid 5 and name HN ))
(( segid "B " and resid 4 and name HA ))
2.500 .800 .800 peak 1607 spectrum 1 weight .10000E+01 volume .30198E-02 ppm1 8.079 ppm2 5.046 CV 1
ASSI { 1608}
(( segid "B " and resid 5 and name HN ))
(( segid "B " and resid 5 and name HA ))
3.000 1.200 1.200 peak 1608 spectrum 1 weight .10000E+01 volume .10016E-02 ppm1 8.081 ppm2 4.825 CV 1
ASSI { 1613}
(( segid "B " and resid 5 and name HN ))
(( segid "B " and resid 4 and name HD3 ))
3.600 1.600 1.600 peak 1613 spectrum 1 weight .10000E+01 volume .35985E-03 ppm1 8.082 ppm2 3.342 CV 1
ASSI { 1614}
(( segid "B " and resid 5 and name HN ))
(( segid "B " and resid 5 and name HB3 ))
2.900 1.000 1.000 peak 1614 spectrum 1 weight .10000E+01 volume .13783E-02 ppm1 8.080 ppm2 1.296 CV 1
ASSI { 1615}
(( segid "B " and resid 5 and name HN ))
(( segid "B " and resid 4 and name HB3 ))
3.000 1.100 1.100 peak 1615 spectrum 1 weight .10000E+01 volume .10181E-02 ppm1 8.080 ppm2 1.868 CV 1
ASSI { 1618}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 28 and name HN ))
5.000 3.100 1.000 peak 1618 spectrum 1 weight .10000E+01 volume .49587E-04 ppm1 8.116 ppm2 9.104 CV 1
ASSI { 1622}
(( segid "B " and resid 85 and name HN ))
(( segid "B " and resid 82 and name HA ))
3.500 1.500 1.500 peak 1622 spectrum 1 weight .10000E+01 volume .46038E-03 ppm1 6.800 ppm2 3.650 CV 1
ASSI { 1623}
(( segid "B " and resid 85 and name HN ))
( segid "B " and resid 83 and name HB% )
4.000 2.000 2.000 peak 1623 spectrum 1 weight .10000E+01 volume .18994E-03 ppm1 6.795 ppm2 1.220 CV 1
ASSI { 1624}
(( segid "B " and resid 83 and name HN ))
(( segid "B " and resid 84 and name HB3 ))
3.800 1.800 1.800 peak 1624 spectrum 1 weight .10000E+01 volume .27008E-03 ppm1 7.978 ppm2 3.070 CV 1
ASSI { 1627}
(( segid "B " and resid 74 and name HN ))
(( segid "B " and resid 75 and name HA ))
3.900 1.900 1.900 peak 1627 spectrum 1 weight .10000E+01 volume .23271E-03 ppm1 9.186 ppm2 5.524 CV 1
ASSI { 6}
(( segid "A " and resid 76 and name HN ))
(( segid "B " and resid 74 and name HN ))
3.200 1.200 1.200 peak 6 spectrum 1 weight .10000E+01 volume .79083E-03 ppm1 9.089 ppm2 9.189 CV 1
ASSI { 6}
(( segid "A " and resid 76 and name HN ))
(( segid "A " and resid 75 and name HA ))
3.200 1.200 1.200 peak 6 spectrum 1 weight .10000E+01 volume .79083E-03 ppm1 9.089 ppm2 9.189 CV 1
ASSI { 9}
(( segid "A " and resid 76 and name HN ))
(( segid "A " and resid 76 and name HA ))
3.100 1.200 1.200 peak 9 spectrum 1 weight .10000E+01 volume .87870E-03 ppm1 9.087 ppm2 4.877 CV 1
ASSI { 12}
(( segid "A " and resid 76 and name HN ))
(( segid "A " and resid 75 and name HB ))
3.400 1.400 1.400 peak 12 spectrum 1 weight .10000E+01 volume .53753E-03 ppm1 9.088 ppm2 3.903 CV 1
ASSI { 14}
(( segid "A " and resid 76 and name HN ))
( segid "A " and resid 76 and name HB% )
2.600 .800 .800 peak 14 spectrum 1 weight .10000E+01 volume .27916E-02 ppm1 9.087 ppm2 1.106 CV 1
ASSI { 45}
(( segid "A " and resid 74 and name HN ))
(( segid "A " and resid 73 and name HA ))
2.700 .900 .900 peak 45 spectrum 1 weight .10000E+01 volume .18783E-02 ppm1 9.190 ppm2 4.998 CV 1
ASSI { 46}
(( segid "A " and resid 74 and name HN ))
(( segid "A " and resid 74 and name HA ))
3.000 1.200 1.200 peak 46 spectrum 1 weight .10000E+01 volume .98885E-03 ppm1 9.189 ppm2 4.621 CV 1
ASSI { 47}
(( segid "A " and resid 74 and name HN ))
(( segid "A " and resid 74 and name HB ))
3.200 1.300 1.300 peak 47 spectrum 1 weight .10000E+01 volume .72524E-03 ppm1 9.189 ppm2 1.928 CV 1
ASSI { 49}
(( segid "A " and resid 74 and name HN ))
(( segid "A " and resid 73 and name HB2 ))
3.500 1.500 1.500 peak 49 spectrum 1 weight .10000E+01 volume .44553E-03 ppm1 9.191 ppm2 1.580 CV 1
ASSI { 53}
(( segid "A " and resid 74 and name HN ))
( segid "A " and resid 74 and name HG1%)
2.600 .900 .900 peak 53 spectrum 1 weight .10000E+01 volume .24699E-02 ppm1 9.189 ppm2 .884 CV 1
ASSI { 54}
(( segid "A " and resid 78 and name HN ))
(( segid "A " and resid 78 and name HA ))
3.100 1.200 1.200 peak 54 spectrum 1 weight .10000E+01 volume .95874E-03 ppm1 8.768 ppm2 5.014 CV 1
ASSI { 55}
(( segid "A " and resid 78 and name HN ))
(( segid "A " and resid 77 and name HA ))
2.800 1.000 1.000 peak 55 spectrum 1 weight .10000E+01 volume .14687E-02 ppm1 8.769 ppm2 4.676 CV 1
ASSI { 60}
(( segid "A " and resid 78 and name HN ))
( segid "A " and resid 77 and name HG1%)
2.700 .900 .900 peak 60 spectrum 1 weight .10000E+01 volume .20387E-02 ppm1 8.769 ppm2 .884 CV 1
ASSI { 464}
(( segid "A " and resid 72 and name HN ))
(( segid "A " and resid 71 and name HA ))
2.700 .900 .900 peak 464 spectrum 1 weight .10000E+01 volume .21110E-02 ppm1 9.253 ppm2 5.018 CV 1
ASSI { 465}
(( segid "A " and resid 72 and name HN ))
(( segid "A " and resid 72 and name HA ))
3.100 1.200 1.200 peak 465 spectrum 1 weight .10000E+01 volume .86261E-03 ppm1 9.254 ppm2 4.619 CV 1
ASSI { 467}
(( segid "A " and resid 72 and name HN ))
(( segid "A " and resid 71 and name HB2 ))
3.300 1.300 1.300 peak 467 spectrum 1 weight .10000E+01 volume .65057E-03 ppm1 9.255 ppm2 3.041 CV 1
ASSI { 468}
(( segid "A " and resid 72 and name HN ))
(( segid "A " and resid 71 and name HB3 ))
3.200 1.300 1.300 peak 468 spectrum 1 weight .10000E+01 volume .74380E-03 ppm1 9.253 ppm2 2.469 CV 1
ASSI { 469}
(( segid "A " and resid 72 and name HN ))
( segid "A " and resid 72 and name HB% )
2.800 .900 .900 peak 469 spectrum 1 weight .10000E+01 volume .18098E-02 ppm1 9.254 ppm2 1.180 CV 1
ASSI { 470}
(( segid "A " and resid 72 and name HN ))
( segid "A " and resid 74 and name HG1%)
3.000 3.000 3.000 peak 470 spectrum 1 weight .10000E+01 volume .11176E-02 ppm1 9.254 ppm2 .873 CV 1
ASSI { 6}
(( segid "B " and resid 76 and name HN ))
(( segid "A " and resid 74 and name HN ))
3.200 1.200 1.200 peak 6 spectrum 1 weight .10000E+01 volume .79083E-03 ppm1 9.089 ppm2 9.189 CV 1
ASSI { 6}
(( segid "B " and resid 76 and name HN ))
(( segid "B " and resid 75 and name HA ))
3.200 1.200 1.200 peak 6 spectrum 1 weight .10000E+01 volume .79083E-03 ppm1 9.089 ppm2 9.189 CV 1
ASSI { 9}
(( segid "B " and resid 76 and name HN ))
(( segid "B " and resid 76 and name HA ))
3.100 1.200 1.200 peak 9 spectrum 1 weight .10000E+01 volume .87870E-03 ppm1 9.087 ppm2 4.877 CV 1
ASSI { 12}
(( segid "B " and resid 76 and name HN ))
(( segid "B " and resid 75 and name HB ))
3.400 1.400 1.400 peak 12 spectrum 1 weight .10000E+01 volume .53753E-03 ppm1 9.088 ppm2 3.903 CV 1
ASSI { 14}
(( segid "B " and resid 76 and name HN ))
( segid "B " and resid 76 and name HB% )
2.600 .800 .800 peak 14 spectrum 1 weight .10000E+01 volume .27916E-02 ppm1 9.087 ppm2 1.106 CV 1
ASSI { 45}
(( segid "B " and resid 74 and name HN ))
(( segid "B " and resid 73 and name HA ))
2.700 .900 .900 peak 45 spectrum 1 weight .10000E+01 volume .18783E-02 ppm1 9.190 ppm2 4.998 CV 1
ASSI { 46}
(( segid "B " and resid 74 and name HN ))
(( segid "B " and resid 74 and name HA ))
3.000 1.200 1.200 peak 46 spectrum 1 weight .10000E+01 volume .98885E-03 ppm1 9.189 ppm2 4.621 CV 1
ASSI { 47}
(( segid "B " and resid 74 and name HN ))
(( segid "B " and resid 74 and name HB ))
3.200 1.300 1.300 peak 47 spectrum 1 weight .10000E+01 volume .72524E-03 ppm1 9.189 ppm2 1.928 CV 1
ASSI { 49}
(( segid "B " and resid 74 and name HN ))
(( segid "B " and resid 73 and name HB2 ))
3.500 1.500 1.500 peak 49 spectrum 1 weight .10000E+01 volume .44553E-03 ppm1 9.191 ppm2 1.580 CV 1
ASSI { 53}
(( segid "B " and resid 74 and name HN ))
( segid "B " and resid 74 and name HG1%)
2.600 .900 .900 peak 53 spectrum 1 weight .10000E+01 volume .24699E-02 ppm1 9.189 ppm2 .884 CV 1
ASSI { 54}
(( segid "B " and resid 78 and name HN ))
(( segid "B " and resid 78 and name HA ))
3.100 1.200 1.200 peak 54 spectrum 1 weight .10000E+01 volume .95874E-03 ppm1 8.768 ppm2 5.014 CV 1
ASSI { 55}
(( segid "B " and resid 78 and name HN ))
(( segid "B " and resid 77 and name HA ))
2.800 1.000 1.000 peak 55 spectrum 1 weight .10000E+01 volume .14687E-02 ppm1 8.769 ppm2 4.676 CV 1
ASSI { 60}
(( segid "B " and resid 78 and name HN ))
( segid "B " and resid 77 and name HG1%)
2.700 .900 .900 peak 60 spectrum 1 weight .10000E+01 volume .20387E-02 ppm1 8.769 ppm2 .884 CV 1
ASSI { 464}
(( segid "B " and resid 72 and name HN ))
(( segid "B " and resid 71 and name HA ))
2.700 .900 .900 peak 464 spectrum 1 weight .10000E+01 volume .21110E-02 ppm1 9.253 ppm2 5.018 CV 1
ASSI { 465}
(( segid "B " and resid 72 and name HN ))
(( segid "B " and resid 72 and name HA ))
3.100 1.200 1.200 peak 465 spectrum 1 weight .10000E+01 volume .86261E-03 ppm1 9.254 ppm2 4.619 CV 1
ASSI { 467}
(( segid "B " and resid 72 and name HN ))
(( segid "B " and resid 71 and name HB2 ))
3.300 1.300 1.300 peak 467 spectrum 1 weight .10000E+01 volume .65057E-03 ppm1 9.255 ppm2 3.041 CV 1
ASSI { 468}
(( segid "B " and resid 72 and name HN ))
(( segid "B " and resid 71 and name HB3 ))
3.200 1.300 1.300 peak 468 spectrum 1 weight .10000E+01 volume .74380E-03 ppm1 9.253 ppm2 2.469 CV 1
ASSI { 469}
(( segid "B " and resid 72 and name HN ))
( segid "B " and resid 72 and name HB% )
2.800 .900 .900 peak 469 spectrum 1 weight .10000E+01 volume .18098E-02 ppm1 9.254 ppm2 1.180 CV 1
ASSI { 470}
(( segid "B " and resid 72 and name HN ))
( segid "B " and resid 74 and name HG1%)
3.000 3.000 3.000 peak 470 spectrum 1 weight .10000E+01 volume .11176E-02 ppm1 9.254 ppm2 .873 CV 1
ASSI { 62}
(( segid "A " and resid 80 and name HA ))
(( segid "B " and resid 74 and name HB ))
2.500 2.500 3.500 peak 62 spectrum 1 weight .10000E+01 volume .24251E-02 ppm1 3.698 ppm2 1.918 CV 1
ASSI { 69}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 11 and name HB2 ))
2.500 2.500 3.500 peak 69 spectrum 1 weight .10000E+01 volume .23582E-02 ppm1 4.048 ppm2 2.137 CV 1
ASSI { 70}
(( segid "A " and resid 90 and name HA ))
(( segid "A " and resid 89 and name HB3 ))
2.500 2.500 3.500 peak 70 spectrum 1 weight .10000E+01 volume .21558E-02 ppm1 4.048 ppm2 1.997 CV 1
ASSI { 81}
(( segid "A " and resid 74 and name HA ))
(( segid "A " and resid 74 and name HB ))
2.500 .800 .800 peak 81 spectrum 1 weight .10000E+01 volume .22854E-02 ppm1 4.618 ppm2 1.907 CV 1
ASSI { 110}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 8 and name HB3 ))
2.000 2.000 4.000 peak 110 spectrum 1 weight .10000E+01 volume .88687E-02 ppm1 4.247 ppm2 3.876 CV 1
ASSI { 173}
(( segid "A " and resid 58 and name HA ))
( segid "A " and resid 61 and name HB% )
2.500 .800 .800 peak 173 spectrum 1 weight .10000E+01 volume .21270E-02 ppm1 3.548 ppm2 1.521 CV 1
ASSI { 179}
(( segid "A " and resid 23 and name HA ))
( segid "A " and resid 54 and name HB% )
2.400 .700 .700 peak 179 spectrum 1 weight .10000E+01 volume .26750E-02 ppm1 3.806 ppm2 1.669 CV 1
ASSI { 180}
(( segid "A " and resid 55 and name HA ))
( segid "A " and resid 27 and name HB% )
2.500 .800 .800 peak 180 spectrum 1 weight .10000E+01 volume .21575E-02 ppm1 3.379 ppm2 1.635 CV 1
ASSI { 189}
(( segid "A " and resid 51 and name HA ))
( segid "A " and resid 26 and name HG2%)
2.600 .900 .900 peak 189 spectrum 1 weight .10000E+01 volume .17178E-02 ppm1 3.629 ppm2 .666 CV 1
ASSI { 199}
(( segid "A " and resid 51 and name HA ))
( segid "A " and resid 54 and name HB% )
2.700 .900 .900 peak 199 spectrum 1 weight .10000E+01 volume .15221E-02 ppm1 3.632 ppm2 1.666 CV 1
ASSI { 213}
(( segid "A " and resid 4 and name HA ))
( segid "A " and resid 32 and name HG1%)
2.900 2.900 3.100 peak 213 spectrum 1 weight .10000E+01 volume .90974E-03 ppm1 5.044 ppm2 .807 CV 1
ASSI { 216}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 31 and name HA ))
3.000 1.100 1.100 peak 216 spectrum 1 weight .10000E+01 volume .78946E-03 ppm1 5.044 ppm2 4.249 CV 1
ASSI { 229}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 17 and name HG ))
2.100 2.100 3.900 peak 229 spectrum 1 weight .10000E+01 volume .64817E-02 ppm1 4.357 ppm2 1.749 CV 1
ASSI { 230}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 17 and name HB3 ))
2.200 .600 .600 peak 230 spectrum 1 weight .10000E+01 volume .56448E-02 ppm1 4.347 ppm2 1.502 CV 1
ASSI { 235}
(( segid "A " and resid 35 and name HA ))
(( segid "A " and resid 36 and name HA ))
2.500 2.500 3.500 peak 235 spectrum 1 weight .10000E+01 volume .21329E-02 ppm1 4.463 ppm2 3.962 CV 1
ASSI { 240}
(( segid "A " and resid 18 and name HA ))
(( segid "A " and resid 18 and name HB3 ))
2.300 .600 .600 peak 240 spectrum 1 weight .10000E+01 volume .42895E-02 ppm1 4.471 ppm2 1.887 CV 1
ASSI { 255}
(( segid "A " and resid 83 and name HA ))
(( segid "A " and resid 86 and name HB ))
2.800 1.000 1.000 peak 255 spectrum 1 weight .10000E+01 volume .12502E-02 ppm1 3.740 ppm2 2.067 CV 1
ASSI { 256}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 3 and name HB3 ))
2.500 .800 .800 peak 256 spectrum 1 weight .10000E+01 volume .24650E-02 ppm1 3.865 ppm2 1.176 CV 1
ASSI { 258}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 3 and name HD3 ))
2.500 2.500 3.500 peak 258 spectrum 1 weight .10000E+01 volume .25310E-02 ppm1 3.866 ppm2 .756 CV 1
ASSI { 259}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 3 and name HG2 ))
2.500 .800 .800 peak 259 spectrum 1 weight .10000E+01 volume .26038E-02 ppm1 3.864 ppm2 .354 CV 1
ASSI { 266}
( segid "A " and resid 83 and name HB% )
( segid "B " and resid 74 and name HG1%)
2.000 2.000 4.000 peak 266 spectrum 1 weight .10000E+01 volume .81682E-02 ppm1 1.241 ppm2 .860 CV 1
ASSI { 267}
( segid "A " and resid 83 and name HB% )
(( segid "A " and resid 86 and name HB ))
2.400 .700 .700 peak 267 spectrum 1 weight .10000E+01 volume .32586E-02 ppm1 1.241 ppm2 2.065 CV 1
ASSI { 275}
(( segid "A " and resid 33 and name HB3 ))
(( segid "A " and resid 4 and name HG2 ))
2.800 2.800 3.200 peak 275 spectrum 1 weight .10000E+01 volume .11715E-02 ppm1 2.804 ppm2 1.406 CV 1
ASSI { 276}
(( segid "A " and resid 33 and name HB2 ))
(( segid "A " and resid 29 and name HA1 ))
3.000 1.100 1.100 peak 276 spectrum 1 weight .10000E+01 volume .77252E-03 ppm1 3.329 ppm2 3.811 CV 1
ASSI { 277}
(( segid "A " and resid 33 and name HB2 ))
(( segid "A " and resid 29 and name HA2 ))
2.800 1.000 1.000 peak 277 spectrum 1 weight .10000E+01 volume .10715E-02 ppm1 3.328 ppm2 3.989 CV 1
ASSI { 281}
(( segid "A " and resid 33 and name HB3 ))
(( segid "A " and resid 29 and name HA2 ))
2.800 2.800 3.200 peak 281 spectrum 1 weight .10000E+01 volume .10825E-02 ppm1 2.798 ppm2 3.981 CV 1
ASSI { 282}
(( segid "A " and resid 33 and name HB3 ))
(( segid "A " and resid 29 and name HA1 ))
3.000 1.100 1.100 peak 282 spectrum 1 weight .10000E+01 volume .81860E-03 ppm1 2.804 ppm2 3.804 CV 1
ASSI { 305}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 12 and name HB3 ))
2.200 .600 .600 peak 305 spectrum 1 weight .10000E+01 volume .57117E-02 ppm1 4.037 ppm2 2.196 CV 1
ASSI { 306}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 15 and name HB2 ))
2.200 2.200 3.800 peak 306 spectrum 1 weight .10000E+01 volume .49121E-02 ppm1 4.038 ppm2 2.093 CV 1
ASSI { 318}
(( segid "A " and resid 19 and name HB ))
(( segid "A " and resid 23 and name HG1 ))
2.500 2.500 3.500 peak 318 spectrum 1 weight .10000E+01 volume .20744E-02 ppm1 2.187 ppm2 1.167 CV 1
ASSI { 333}
(( segid "A " and resid 23 and name HB ))
( segid "A " and resid 24 and name HD1%)
2.400 2.400 3.600 peak 333 spectrum 1 weight .10000E+01 volume .28902E-02 ppm1 4.286 ppm2 .774 CV 1
ASSI { 338}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 14 and name HG12))
2.600 .900 .900 peak 338 spectrum 1 weight .10000E+01 volume .17466E-02 ppm1 3.806 ppm2 1.174 CV 1
ASSI { 340}
(( segid "A " and resid 11 and name HA ))
( segid "A " and resid 14 and name HD1%)
2.700 .900 .900 peak 340 spectrum 1 weight .10000E+01 volume .15137E-02 ppm1 3.806 ppm2 .686 CV 1
ASSI { 341}
(( segid "A " and resid 11 and name HA ))
( segid "A " and resid 14 and name HG2%)
3.000 1.100 1.100 peak 341 spectrum 1 weight .10000E+01 volume .75355E-03 ppm1 3.802 ppm2 .253 CV 1
ASSI { 342}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 14 and name HG13))
2.700 .900 .900 peak 342 spectrum 1 weight .10000E+01 volume .14002E-02 ppm1 3.804 ppm2 1.035 CV 1
ASSI { 347}
(( segid "A " and resid 48 and name HA ))
( segid "A " and resid 41 and name HB% )
2.500 .800 .800 peak 347 spectrum 1 weight .10000E+01 volume .25496E-02 ppm1 3.894 ppm2 1.427 CV 1
ASSI { 368}
(( segid "A " and resid 90 and name HA ))
(( segid "A " and resid 90 and name HB3 ))
2.400 .700 .700 peak 368 spectrum 1 weight .10000E+01 volume .26258E-02 ppm1 3.981 ppm2 2.077 CV 1
ASSI { 374}
(( segid "A " and resid 7 and name HA ))
( segid "A " and resid 32 and name HG1%)
2.600 .800 .800 peak 374 spectrum 1 weight .10000E+01 volume .18482E-02 ppm1 4.046 ppm2 .813 CV 1
ASSI { 376}
(( segid "A " and resid 90 and name HA ))
(( segid "A " and resid 92 and name HB2 ))
2.800 2.800 3.200 peak 376 spectrum 1 weight .10000E+01 volume .11393E-02 ppm1 4.048 ppm2 2.742 CV 1
ASSI { 377}
(( segid "A " and resid 90 and name HA ))
(( segid "A " and resid 86 and name HA ))
2.800 2.800 3.200 peak 377 spectrum 1 weight .10000E+01 volume .12960E-02 ppm1 4.049 ppm2 3.249 CV 1
ASSI { 381}
(( segid "A " and resid 73 and name HA ))
(( segid "B " and resid 77 and name HA ))
3.100 1.200 1.200 peak 381 spectrum 1 weight .10000E+01 volume .61674E-03 ppm1 5.028 ppm2 4.667 CV 1
ASSI { 401}
(( segid "A " and resid 68 and name HD3 ))
(( segid "A " and resid 68 and name HB3 ))
2.800 2.800 3.200 peak 401 spectrum 1 weight .10000E+01 volume .12968E-02 ppm1 3.994 ppm2 2.122 CV 1
ASSI { 402}
(( segid "A " and resid 68 and name HD3 ))
(( segid "A " and resid 68 and name HB2 ))
2.700 2.700 3.300 peak 402 spectrum 1 weight .10000E+01 volume .14028E-02 ppm1 3.993 ppm2 2.061 CV 1
ASSI { 417}
(( segid "A " and resid 46 and name HA ))
(( segid "A " and resid 46 and name HB3 ))
2.600 .800 .800 peak 417 spectrum 1 weight .10000E+01 volume .18813E-02 ppm1 4.788 ppm2 1.621 CV 1
ASSI { 426}
(( segid "A " and resid 92 and name HA ))
(( segid "A " and resid 92 and name HB3 ))
2.500 .800 .800 peak 426 spectrum 1 weight .10000E+01 volume .21091E-02 ppm1 4.491 ppm2 2.930 CV 1
ASSI { 427}
(( segid "A " and resid 92 and name HA ))
(( segid "A " and resid 92 and name HB2 ))
2.500 .800 .800 peak 427 spectrum 1 weight .10000E+01 volume .25962E-02 ppm1 4.491 ppm2 2.735 CV 1
ASSI { 428}
(( segid "A " and resid 92 and name HA ))
(( segid "A " and resid 95 and name HB3 ))
2.500 2.500 3.500 peak 428 spectrum 1 weight .10000E+01 volume .23497E-02 ppm1 4.491 ppm2 1.933 CV 1
ASSI { 429}
(( segid "A " and resid 92 and name HA ))
(( segid "A " and resid 95 and name HB2 ))
2.700 .900 .900 peak 429 spectrum 1 weight .10000E+01 volume .15899E-02 ppm1 4.492 ppm2 1.731 CV 1
ASSI { 441}
(( segid "A " and resid 10 and name HA ))
( segid "A " and resid 5 and name HD2%)
2.600 2.600 3.400 peak 441 spectrum 1 weight .10000E+01 volume .18093E-02 ppm1 3.749 ppm2 .609 CV 1
ASSI { 443}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 14 and name HB ))
2.400 .700 .700 peak 443 spectrum 1 weight .10000E+01 volume .30062E-02 ppm1 4.072 ppm2 1.882 CV 1
ASSI { 444}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 17 and name HB3 ))
2.400 2.400 3.600 peak 444 spectrum 1 weight .10000E+01 volume .26767E-02 ppm1 4.072 ppm2 1.505 CV 1
ASSI { 464}
(( segid "A " and resid 37 and name HG2 ))
(( segid "A " and resid 55 and name HB ))
2.300 2.300 3.700 peak 464 spectrum 1 weight .10000E+01 volume .34374E-02 ppm1 2.724 ppm2 2.162 CV 1
ASSI { 467}
(( segid "A " and resid 37 and name HG2 ))
( segid "A " and resid 30 and name HG1%)
2.700 .900 .900 peak 467 spectrum 1 weight .10000E+01 volume .14925E-02 ppm1 2.728 ppm2 .910 CV 1
ASSI { 489}
(( segid "A " and resid 41 and name HA ))
(( segid "A " and resid 46 and name HB3 ))
2.700 2.700 3.300 peak 489 spectrum 1 weight .10000E+01 volume .14917E-02 ppm1 3.971 ppm2 1.621 CV 1
ASSI { 491}
(( segid "A " and resid 5 and name HA ))
(( segid "A " and resid 6 and name HG1 ))
2.800 2.800 3.200 peak 491 spectrum 1 weight .10000E+01 volume .11630E-02 ppm1 4.839 ppm2 1.280 CV 1
ASSI { 494}
(( segid "A " and resid 6 and name HA ))
( segid "A " and resid 32 and name HG1%)
2.800 1.000 1.000 peak 494 spectrum 1 weight .10000E+01 volume .11698E-02 ppm1 4.510 ppm2 .814 CV 1
ASSI { 506}
(( segid "A " and resid 9 and name HA ))
( segid "A " and resid 5 and name HD1%)
2.800 2.800 3.200 peak 506 spectrum 1 weight .10000E+01 volume .12714E-02 ppm1 4.164 ppm2 .023 CV 1
ASSI { 507}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 56 and name HB2 ))
2.400 .700 .700 peak 507 spectrum 1 weight .10000E+01 volume .29037E-02 ppm1 4.157 ppm2 3.279 CV 1
ASSI { 524}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 20 and name HA1 ))
3.000 3.000 3.000 peak 524 spectrum 1 weight .10000E+01 volume .76939E-03 ppm1 4.604 ppm2 4.025 CV 1
ASSI { 531}
(( segid "A " and resid 21 and name HA ))
(( segid "A " and resid 25 and name HB2 ))
2.300 2.300 3.700 peak 531 spectrum 1 weight .10000E+01 volume .39008E-02 ppm1 3.966 ppm2 2.153 CV 1
ASSI { 535}
(( segid "A " and resid 21 and name HA ))
( segid "A " and resid 24 and name HD1%)
2.500 .800 .800 peak 535 spectrum 1 weight .10000E+01 volume .24615E-02 ppm1 3.963 ppm2 .754 CV 1
ASSI { 538}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 53 and name HG2 ))
2.400 .700 .700 peak 538 spectrum 1 weight .10000E+01 volume .31308E-02 ppm1 4.167 ppm2 2.408 CV 1
ASSI { 539}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 25 and name HG2 ))
2.800 2.800 3.200 peak 539 spectrum 1 weight .10000E+01 volume .10707E-02 ppm1 4.164 ppm2 2.279 CV 1
ASSI { 541}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 22 and name HB3 ))
2.300 .700 .700 peak 541 spectrum 1 weight .10000E+01 volume .39998E-02 ppm1 4.168 ppm2 2.070 CV 1
ASSI { 544}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 25 and name HB2 ))
2.500 .800 .800 peak 544 spectrum 1 weight .10000E+01 volume .21295E-02 ppm1 4.169 ppm2 2.149 CV 1
ASSI { 546}
(( segid "A " and resid 22 and name HA ))
( segid "A " and resid 46 and name HD2%)
2.900 2.900 3.100 peak 546 spectrum 1 weight .10000E+01 volume .89618E-03 ppm1 4.162 ppm2 .825 CV 1
ASSI { 559}
(( segid "A " and resid 26 and name HA ))
( segid "A " and resid 44 and name HD1%)
3.000 3.000 3.000 peak 559 spectrum 1 weight .10000E+01 volume .76514E-03 ppm1 2.729 ppm2 .851 CV 1
ASSI { 567}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 28 and name HB3 ))
2.600 .900 .900 peak 567 spectrum 1 weight .10000E+01 volume .16738E-02 ppm1 2.911 ppm2 1.522 CV 1
ASSI { 572}
(( segid "A " and resid 28 and name HA ))
(( segid "A " and resid 32 and name HB ))
3.000 1.100 1.100 peak 572 spectrum 1 weight .10000E+01 volume .78327E-03 ppm1 2.892 ppm2 2.061 CV 1
ASSI { 575}
(( segid "A " and resid 28 and name HA ))
( segid "A " and resid 32 and name HG1%)
2.900 2.900 3.100 peak 575 spectrum 1 weight .10000E+01 volume .95209E-03 ppm1 2.888 ppm2 .810 CV 1
ASSI { 600}
(( segid "A " and resid 44 and name HA ))
(( segid "A " and resid 44 and name HB2 ))
2.400 .700 .700 peak 600 spectrum 1 weight .10000E+01 volume .29631E-02 ppm1 4.532 ppm2 1.510 CV 1
ASSI { 601}
(( segid "A " and resid 44 and name HA ))
( segid "A " and resid 44 and name HD1%)
2.100 2.100 3.900 peak 601 spectrum 1 weight .10000E+01 volume .67460E-02 ppm1 4.533 ppm2 .855 CV 1
ASSI { 614}
(( segid "A " and resid 38 and name HA ))
( segid "A " and resid 41 and name HB% )
1.900 1.900 4.100 peak 614 spectrum 1 weight .10000E+01 volume .11105E-01 ppm1 4.075 ppm2 1.444 CV 1
ASSI { 617}
(( segid "A " and resid 39 and name HA ))
( segid "A " and resid 41 and name HB% )
2.800 2.800 3.200 peak 617 spectrum 1 weight .10000E+01 volume .11156E-02 ppm1 3.992 ppm2 1.454 CV 1
ASSI { 618}
(( segid "A " and resid 39 and name HA ))
(( segid "A " and resid 42 and name HG1 ))
2.700 2.700 3.300 peak 618 spectrum 1 weight .10000E+01 volume .13553E-02 ppm1 3.992 ppm2 1.237 CV 1
ASSI { 620}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 43 and name HB2 ))
2.600 .900 .900 peak 620 spectrum 1 weight .10000E+01 volume .16907E-02 ppm1 4.302 ppm2 3.891 CV 1
ASSI { 623}
(( segid "A " and resid 40 and name HA ))
( segid "A " and resid 44 and name HD1%)
2.800 2.800 3.200 peak 623 spectrum 1 weight .10000E+01 volume .10681E-02 ppm1 4.302 ppm2 .842 CV 1
ASSI { 627}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 53 and name HB2 ))
2.500 .800 .800 peak 627 spectrum 1 weight .10000E+01 volume .23489E-02 ppm1 4.187 ppm2 2.180 CV 1
ASSI { 629}
(( segid "A " and resid 50 and name HA ))
( segid "A " and resid 50 and name HB% )
2.100 .500 .500 peak 629 spectrum 1 weight .10000E+01 volume .74253E-02 ppm1 4.187 ppm2 1.522 CV 1
ASSI { 630}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 23 and name HG1 ))
2.300 2.300 3.700 peak 630 spectrum 1 weight .10000E+01 volume .36593E-02 ppm1 4.196 ppm2 1.168 CV 1
ASSI { 631}
(( segid "A " and resid 55 and name HA ))
(( segid "A " and resid 27 and name HA ))
2.800 1.000 1.000 peak 631 spectrum 1 weight .10000E+01 volume .11698E-02 ppm1 3.376 ppm2 3.857 CV 1
ASSI { 638}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 57 and name HD3 ))
2.700 .900 .900 peak 638 spectrum 1 weight .10000E+01 volume .15976E-02 ppm1 4.091 ppm2 3.177 CV 1
ASSI { 645}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 24 and name HG12))
3.000 3.000 3.000 peak 645 spectrum 1 weight .10000E+01 volume .84637E-03 ppm1 3.551 ppm2 1.632 CV 1
OR { 645}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 24 and name HG13))
ASSI { 664}
(( segid "A " and resid 100 and name HA ))
(( segid "A " and resid 100 and name HD3 ))
2.300 2.300 3.700 peak 664 spectrum 1 weight .10000E+01 volume .35644E-02 ppm1 4.359 ppm2 1.672 CV 1
ASSI { 667}
(( segid "A " and resid 65 and name HA ))
(( segid "A " and resid 65 and name HD3 ))
2.300 2.300 3.700 peak 667 spectrum 1 weight .10000E+01 volume .40337E-02 ppm1 4.126 ppm2 1.610 CV 1
ASSI { 669}
(( segid "A " and resid 65 and name HA ))
(( segid "A " and resid 65 and name HG2 ))
2.400 .700 .700 peak 669 spectrum 1 weight .10000E+01 volume .31146E-02 ppm1 4.127 ppm2 1.375 CV 1
ASSI { 673}
(( segid "A " and resid 99 and name HA ))
(( segid "A " and resid 99 and name HG1 ))
2.100 2.100 3.900 peak 673 spectrum 1 weight .10000E+01 volume .63496E-02 ppm1 4.324 ppm2 1.217 CV 1
ASSI { 678}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 71 and name HB3 ))
3.100 1.200 1.200 peak 678 spectrum 1 weight .10000E+01 volume .67392E-03 ppm1 5.022 ppm2 2.457 CV 1
ASSI { 680}
(( segid "A " and resid 71 and name HA ))
( segid "B " and resid 77 and name HG1%)
3.100 3.100 2.900 peak 680 spectrum 1 weight .10000E+01 volume .61929E-03 ppm1 5.031 ppm2 .869 CV 1
ASSI { 683}
(( segid "A " and resid 73 and name HA ))
(( segid "A " and resid 73 and name HB2 ))
3.100 1.200 1.200 peak 683 spectrum 1 weight .10000E+01 volume .68510E-03 ppm1 5.016 ppm2 1.562 CV 1
ASSI { 693}
(( segid "A " and resid 77 and name HA ))
(( segid "B " and resid 73 and name HB2 ))
3.200 1.300 1.300 peak 693 spectrum 1 weight .10000E+01 volume .53729E-03 ppm1 4.696 ppm2 1.556 CV 1
ASSI { 703}
(( segid "A " and resid 79 and name HA ))
( segid "B " and resid 72 and name HB% )
2.900 2.900 3.100 peak 703 spectrum 1 weight .10000E+01 volume .87924E-03 ppm1 4.211 ppm2 1.184 CV 1
ASSI { 705}
(( segid "A " and resid 79 and name HA ))
( segid "B " and resid 74 and name HG2%)
3.000 3.000 3.000 peak 705 spectrum 1 weight .10000E+01 volume .71237E-03 ppm1 4.213 ppm2 .798 CV 1
ASSI { 706}
(( segid "A " and resid 80 and name HA ))
( segid "B " and resid 74 and name HG1%)
3.000 1.200 1.200 peak 706 spectrum 1 weight .10000E+01 volume .72280E-03 ppm1 3.697 ppm2 .868 CV 1
ASSI { 709}
(( segid "A " and resid 82 and name HA ))
( segid "A " and resid 86 and name HG2%)
3.000 3.000 3.000 peak 709 spectrum 1 weight .10000E+01 volume .80809E-03 ppm1 3.674 ppm2 1.664 CV 1
ASSI { 714}
(( segid "A " and resid 82 and name HA ))
( segid "A " and resid 85 and name HD1%)
2.700 .900 .900 peak 714 spectrum 1 weight .10000E+01 volume .13121E-02 ppm1 3.672 ppm2 .745 CV 1
ASSI { 724}
(( segid "A " and resid 84 and name HA ))
( segid "A " and resid 86 and name HG2%)
3.000 3.000 3.000 peak 724 spectrum 1 weight .10000E+01 volume .81665E-03 ppm1 4.044 ppm2 1.665 CV 1
ASSI { 734}
(( segid "A " and resid 87 and name HA ))
(( segid "A " and resid 86 and name HA ))
3.200 3.200 2.800 peak 734 spectrum 1 weight .10000E+01 volume .52924E-03 ppm1 4.085 ppm2 3.232 CV 1
ASSI { 737}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 10 and name HB3 ))
3.200 1.300 1.300 peak 737 spectrum 1 weight .10000E+01 volume .55347E-03 ppm1 4.074 ppm2 2.747 CV 1
ASSI { 740}
(( segid "A " and resid 87 and name HA ))
( segid "A " and resid 86 and name HG2%)
2.700 2.700 3.300 peak 740 spectrum 1 weight .10000E+01 volume .16246E-02 ppm1 4.073 ppm2 1.663 CV 1
ASSI { 742}
(( segid "A " and resid 88 and name HA ))
(( segid "A " and resid 92 and name HB2 ))
2.700 2.700 3.300 peak 742 spectrum 1 weight .10000E+01 volume .14179E-02 ppm1 4.125 ppm2 2.747 CV 1
ASSI { 744}
(( segid "A " and resid 88 and name HA ))
(( segid "A " and resid 88 and name HB3 ))
2.400 .700 .700 peak 744 spectrum 1 weight .10000E+01 volume .31197E-02 ppm1 4.139 ppm2 1.741 CV 1
ASSI { 745}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 24 and name HG13))
2.300 2.300 3.700 peak 745 spectrum 1 weight .10000E+01 volume .35509E-02 ppm1 4.140 ppm2 1.614 CV 1
OR { 745}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 24 and name HG12))
ASSI { 754}
(( segid "A " and resid 89 and name HA ))
(( segid "A " and resid 92 and name HB3 ))
3.000 1.100 1.100 peak 754 spectrum 1 weight .10000E+01 volume .83664E-03 ppm1 4.752 ppm2 2.939 CV 1
ASSI { 760}
(( segid "A " and resid 91 and name HA ))
(( segid "A " and resid 94 and name HB2 ))
2.400 2.400 3.600 peak 760 spectrum 1 weight .10000E+01 volume .26903E-02 ppm1 4.221 ppm2 1.949 CV 1
ASSI { 770}
(( segid "A " and resid 95 and name HA ))
(( segid "A " and resid 95 and name HB2 ))
2.300 .700 .700 peak 770 spectrum 1 weight .10000E+01 volume .36550E-02 ppm1 4.233 ppm2 1.726 CV 1
ASSI { 771}
(( segid "A " and resid 95 and name HA ))
(( segid "A " and resid 95 and name HG2 ))
2.300 .600 .600 peak 771 spectrum 1 weight .10000E+01 volume .40607E-02 ppm1 4.233 ppm2 1.489 CV 1
ASSI { 779}
(( segid "A " and resid 2 and name HA ))
(( segid "A " and resid 2 and name HG3 ))
2.300 .700 .700 peak 779 spectrum 1 weight .10000E+01 volume .34925E-02 ppm1 4.249 ppm2 1.394 CV 1
ASSI { 785}
(( segid "A " and resid 68 and name HA ))
(( segid "A " and resid 68 and name HB3 ))
2.500 .800 .800 peak 785 spectrum 1 weight .10000E+01 volume .23099E-02 ppm1 4.351 ppm2 2.098 CV 1
ASSI { 807}
(( segid "A " and resid 57 and name HG2 ))
(( segid "A " and resid 57 and name HB3 ))
3.100 1.200 1.200 peak 807 spectrum 1 weight .10000E+01 volume .65579E-03 ppm1 1.191 ppm2 2.059 CV 1
ASSI { 848}
(( segid "A " and resid 51 and name HB ))
( segid "A " and resid 41 and name HB% )
2.800 1.000 1.000 peak 848 spectrum 1 weight .10000E+01 volume .12612E-02 ppm1 2.289 ppm2 1.427 CV 1
ASSI { 855}
(( segid "A " and resid 14 and name HG13))
( segid "A " and resid 17 and name HD2%)
1.900 1.900 4.100 peak 855 spectrum 1 weight .10000E+01 volume .10885E-01 ppm1 1.020 ppm2 .833 CV 1
ASSI { 856}
(( segid "A " and resid 14 and name HG12))
(( segid "A " and resid 14 and name HG13))
2.400 .700 .700 peak 856 spectrum 1 weight .10000E+01 volume .26480E-02 ppm1 1.208 ppm2 1.034 CV 1
ASSI { 857}
(( segid "A " and resid 14 and name HG12))
( segid "A " and resid 14 and name HD1%)
2.500 .800 .800 peak 857 spectrum 1 weight .10000E+01 volume .22524E-02 ppm1 1.209 ppm2 .687 CV 1
ASSI { 878}
( segid "A " and resid 58 and name HG2%)
( segid "A " and resid 13 and name HB% )
2.300 2.300 3.700 peak 878 spectrum 1 weight .10000E+01 volume .38380E-02 ppm1 .659 ppm2 1.356 CV 1
ASSI { 879}
( segid "A " and resid 58 and name HG2%)
(( segid "A " and resid 24 and name HG12))
2.200 2.200 3.800 peak 879 spectrum 1 weight .10000E+01 volume .43767E-02 ppm1 .658 ppm2 1.632 CV 1
ASSI { 881}
( segid "A " and resid 58 and name HG2%)
( segid "A " and resid 14 and name HG2%)
2.200 .600 .600 peak 881 spectrum 1 weight .10000E+01 volume .46749E-02 ppm1 .658 ppm2 .253 CV 1
ASSI { 933}
( segid "A " and resid 17 and name HD1%)
(( segid "A " and resid 17 and name HB3 ))
1.900 1.900 4.100 peak 933 spectrum 1 weight .10000E+01 volume .12138E-01 ppm1 .747 ppm2 1.509 CV 1
ASSI { 945}
( segid "A " and resid 5 and name HD1%)
( segid "A " and resid 62 and name HE% )
2.700 .900 .900 peak 945 spectrum 1 weight .10000E+01 volume .13739E-02 ppm1 .051 ppm2 7.091 CV 1
ASSI { 948}
( segid "A " and resid 5 and name HD1%)
(( segid "A " and resid 59 and name HE3 ))
3.000 1.100 1.100 peak 948 spectrum 1 weight .10000E+01 volume .82156E-03 ppm1 .053 ppm2 7.224 CV 1
ASSI { 949}
( segid "A " and resid 5 and name HD1%)
(( segid "A " and resid 5 and name HA ))
2.600 2.600 3.400 peak 949 spectrum 1 weight .10000E+01 volume .18195E-02 ppm1 .052 ppm2 4.812 CV 1
ASSI { 958}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 24 and name HG12))
2.100 2.100 3.900 peak 958 spectrum 1 weight .10000E+01 volume .61582E-02 ppm1 .785 ppm2 1.633 CV 1
OR { 958}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 24 and name HG13))
ASSI { 961}
( segid "A " and resid 58 and name HG1%)
( segid "A " and resid 13 and name HB% )
2.700 .900 .900 peak 961 spectrum 1 weight .10000E+01 volume .16246E-02 ppm1 .785 ppm2 1.358 CV 1
ASSI { 962}
( segid "A " and resid 58 and name HG1%)
( segid "A " and resid 14 and name HG2%)
2.300 .700 .700 peak 962 spectrum 1 weight .10000E+01 volume .33628E-02 ppm1 .786 ppm2 .254 CV 1
ASSI { 965}
( segid "A " and resid 51 and name HG2%)
(( segid "A " and resid 40 and name HB3 ))
2.400 .700 .700 peak 965 spectrum 1 weight .10000E+01 volume .31096E-02 ppm1 1.007 ppm2 2.977 CV 1
ASSI { 969}
( segid "A " and resid 51 and name HG2%)
(( segid "A " and resid 46 and name HB3 ))
2.300 .600 .600 peak 969 spectrum 1 weight .10000E+01 volume .40260E-02 ppm1 1.009 ppm2 1.632 CV 1
ASSI { 970}
( segid "A " and resid 51 and name HG2%)
(( segid "A " and resid 46 and name HG ))
2.300 2.300 3.700 peak 970 spectrum 1 weight .10000E+01 volume .42828E-02 ppm1 1.006 ppm2 1.503 CV 1
ASSI { 971}
( segid "A " and resid 51 and name HG2%)
(( segid "A " and resid 46 and name HB2 ))
2.100 .500 .500 peak 971 spectrum 1 weight .10000E+01 volume .74558E-02 ppm1 1.006 ppm2 1.423 CV 1
ASSI { 973}
( segid "A " and resid 51 and name HG2%)
(( segid "A " and resid 26 and name HG12))
1.500 1.500 4.500 peak 973 spectrum 1 weight .10000E+01 volume .58591E-01 ppm1 1.009 ppm2 .980 CV 1
ASSI { 976}
(( segid "A " and resid 46 and name HG ))
( segid "A " and resid 46 and name HD1%)
2.000 .500 .500 peak 976 spectrum 1 weight .10000E+01 volume .77861E-02 ppm1 1.524 ppm2 .721 CV 1
ASSI { 1031}
(( segid "A " and resid 57 and name HD2 ))
( segid "A " and resid 60 and name HB% )
2.800 2.800 3.200 peak 1031 spectrum 1 weight .10000E+01 volume .11139E-02 ppm1 3.300 ppm2 1.302 CV 1
ASSI { 1080}
(( segid "A " and resid 92 and name HB2 ))
(( segid "A " and resid 92 and name HB3 ))
2.300 .700 .700 peak 1080 spectrum 1 weight .10000E+01 volume .33967E-02 ppm1 2.766 ppm2 2.931 CV 1
ASSI { 1092}
(( segid "A " and resid 40 and name HB2 ))
(( segid "A " and resid 40 and name HA ))
2.500 .800 .800 peak 1092 spectrum 1 weight .10000E+01 volume .23353E-02 ppm1 3.008 ppm2 4.279 CV 1
OR { 1092}
(( segid "A " and resid 40 and name HB3 ))
(( segid "A " and resid 40 and name HA ))
ASSI { 1210}
( segid "A " and resid 14 and name HG2%)
( segid "A " and resid 13 and name HB% )
2.500 .800 .800 peak 1210 spectrum 1 weight .10000E+01 volume .24361E-02 ppm1 .283 ppm2 1.356 CV 1
ASSI { 1213}
( segid "A " and resid 14 and name HG2%)
( segid "A " and resid 17 and name HD1%)
2.000 2.000 4.000 peak 1213 spectrum 1 weight .10000E+01 volume .83156E-02 ppm1 .283 ppm2 .735 CV 1
ASSI { 1254}
( segid "A " and resid 24 and name HG2%)
( segid "A " and resid 24 and name HD1%)
1.900 .500 .500 peak 1254 spectrum 1 weight .10000E+01 volume .10665E-01 ppm1 1.112 ppm2 .751 CV 1
ASSI { 1255}
( segid "A " and resid 24 and name HG2%)
( segid "A " and resid 14 and name HG2%)
2.300 .700 .700 peak 1255 spectrum 1 weight .10000E+01 volume .38296E-02 ppm1 1.112 ppm2 .253 CV 1
ASSI { 1266}
( segid "A " and resid 60 and name HB% )
( segid "A " and resid 61 and name HB% )
2.400 2.400 3.600 peak 1266 spectrum 1 weight .10000E+01 volume .28953E-02 ppm1 1.329 ppm2 1.526 CV 1
ASSI { 1270}
( segid "A " and resid 41 and name HB% )
(( segid "A " and resid 42 and name HA ))
2.200 2.200 3.800 peak 1270 spectrum 1 weight .10000E+01 volume .57168E-02 ppm1 1.454 ppm2 4.043 CV 1
ASSI { 1271}
( segid "A " and resid 41 and name HB% )
(( segid "A " and resid 41 and name HA ))
2.000 .500 .500 peak 1271 spectrum 1 weight .10000E+01 volume .88856E-02 ppm1 1.454 ppm2 3.941 CV 1
ASSI { 1304}
( segid "A " and resid 26 and name HG2%)
( segid "A " and resid 54 and name HB% )
2.200 .600 .600 peak 1304 spectrum 1 weight .10000E+01 volume .47427E-02 ppm1 .643 ppm2 1.668 CV 1
ASSI { 1305}
( segid "A " and resid 26 and name HG2%)
(( segid "A " and resid 26 and name HB ))
2.300 .700 .700 peak 1305 spectrum 1 weight .10000E+01 volume .36381E-02 ppm1 .643 ppm2 1.547 CV 1
ASSI { 1332}
( segid "A " and resid 26 and name HG2%)
(( segid "A " and resid 40 and name HB3 ))
2.600 .800 .800 peak 1332 spectrum 1 weight .10000E+01 volume .18085E-02 ppm1 .643 ppm2 2.975 CV 1
OR { 1332}
( segid "A " and resid 26 and name HG2%)
(( segid "A " and resid 40 and name HB2 ))
ASSI { 1334}
( segid "A " and resid 26 and name HG2%)
(( segid "A " and resid 27 and name HA ))
2.600 .900 .900 peak 1334 spectrum 1 weight .10000E+01 volume .17890E-02 ppm1 .644 ppm2 3.853 CV 1
ASSI { 1336}
(( segid "A " and resid 43 and name HB2 ))
(( segid "A " and resid 43 and name HA ))
2.000 .500 .500 peak 1336 spectrum 1 weight .10000E+01 volume .93345E-02 ppm1 3.918 ppm2 4.211 CV 1
OR { 1336}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 43 and name HA ))
ASSI { 1341}
(( segid "A " and resid 52 and name HB2 ))
(( segid "A " and resid 48 and name HA ))
2.100 2.100 3.900 peak 1341 spectrum 1 weight .10000E+01 volume .59912E-02 ppm1 4.022 ppm2 3.907 CV 1
ASSI { 1535}
(( segid "A " and resid 10 and name HB2 ))
( segid "A " and resid 5 and name HD2%)
3.100 3.100 2.900 peak 1535 spectrum 1 weight .10000E+01 volume .64411E-03 ppm1 3.282 ppm2 .601 CV 1
ASSI { 1553}
(( segid "A " and resid 62 and name HB3 ))
( segid "A " and resid 13 and name HB% )
3.000 1.100 1.100 peak 1553 spectrum 1 weight .10000E+01 volume .80496E-03 ppm1 2.884 ppm2 1.359 CV 1
ASSI { 1558}
(( segid "A " and resid 62 and name HB3 ))
( segid "A " and resid 5 and name HD2%)
3.400 1.400 1.400 peak 1558 spectrum 1 weight .10000E+01 volume .39828E-03 ppm1 2.896 ppm2 .618 CV 1
ASSI { 1560}
(( segid "A " and resid 62 and name HB2 ))
( segid "A " and resid 5 and name HD2%)
3.200 1.300 1.300 peak 1560 spectrum 1 weight .10000E+01 volume .56210E-03 ppm1 2.710 ppm2 .615 CV 1
ASSI { 1564}
(( segid "A " and resid 14 and name HB ))
(( segid "A " and resid 17 and name HB3 ))
3.000 3.000 3.000 peak 1564 spectrum 1 weight .10000E+01 volume .83469E-03 ppm1 1.911 ppm2 1.506 CV 1
ASSI { 1596}
( segid "A " and resid 72 and name HB% )
(( segid "A " and resid 74 and name HA ))
2.300 2.300 3.700 peak 1596 spectrum 1 weight .10000E+01 volume .40540E-02 ppm1 1.189 ppm2 4.594 CV 1
ASSI { 1611}
( segid "A " and resid 72 and name HB% )
(( segid "A " and resid 73 and name HA ))
2.700 2.700 3.300 peak 1611 spectrum 1 weight .10000E+01 volume .13510E-02 ppm1 1.189 ppm2 5.006 CV 1
ASSI { 1635}
( segid "A " and resid 13 and name HB% )
(( segid "A " and resid 62 and name HB2 ))
2.400 .700 .700 peak 1635 spectrum 1 weight .10000E+01 volume .28639E-02 ppm1 1.383 ppm2 2.664 CV 1
ASSI { 1636}
( segid "A " and resid 13 and name HB% )
(( segid "A " and resid 10 and name HA ))
2.400 .700 .700 peak 1636 spectrum 1 weight .10000E+01 volume .28563E-02 ppm1 1.382 ppm2 3.726 CV 1
ASSI { 1637}
( segid "A " and resid 13 and name HB% )
(( segid "A " and resid 17 and name HG ))
2.200 2.200 3.800 peak 1637 spectrum 1 weight .10000E+01 volume .53890E-02 ppm1 1.395 ppm2 1.747 CV 1
ASSI { 1647}
(( segid "A " and resid 3 and name HB3 ))
(( segid "A " and resid 3 and name HD3 ))
2.500 .800 .800 peak 1647 spectrum 1 weight .10000E+01 volume .23184E-02 ppm1 1.205 ppm2 .752 CV 1
ASSI { 1649}
(( segid "A " and resid 3 and name HB2 ))
(( segid "A " and resid 3 and name HD3 ))
2.600 .800 .800 peak 1649 spectrum 1 weight .10000E+01 volume .19872E-02 ppm1 .935 ppm2 .754 CV 1
ASSI { 1657}
(( segid "A " and resid 46 and name HB2 ))
( segid "A " and resid 46 and name HD2%)
2.800 1.000 1.000 peak 1657 spectrum 1 weight .10000E+01 volume .12545E-02 ppm1 1.431 ppm2 .814 CV 1
ASSI { 1658}
(( segid "A " and resid 46 and name HB2 ))
( segid "A " and resid 46 and name HD1%)
2.800 1.000 1.000 peak 1658 spectrum 1 weight .10000E+01 volume .12172E-02 ppm1 1.431 ppm2 .716 CV 1
ASSI { 1661}
(( segid "A " and resid 46 and name HB3 ))
(( segid "A " and resid 46 and name HG ))
2.600 .800 .800 peak 1661 spectrum 1 weight .10000E+01 volume .19026E-02 ppm1 1.645 ppm2 1.508 CV 1
ASSI { 1662}
(( segid "A " and resid 46 and name HB2 ))
(( segid "A " and resid 46 and name HG ))
2.700 .900 .900 peak 1662 spectrum 1 weight .10000E+01 volume .15653E-02 ppm1 1.427 ppm2 1.507 CV 1
ASSI { 1666}
(( segid "A " and resid 46 and name HB3 ))
(( segid "A " and resid 26 and name HG12))
2.800 2.800 3.200 peak 1666 spectrum 1 weight .10000E+01 volume .10910E-02 ppm1 1.649 ppm2 .975 CV 1
ASSI { 1667}
(( segid "A " and resid 46 and name HB3 ))
( segid "A " and resid 46 and name HD2%)
2.700 .900 .900 peak 1667 spectrum 1 weight .10000E+01 volume .14772E-02 ppm1 1.648 ppm2 .813 CV 1
ASSI { 1668}
(( segid "A " and resid 46 and name HB3 ))
( segid "A " and resid 46 and name HD1%)
2.800 1.000 1.000 peak 1668 spectrum 1 weight .10000E+01 volume .12714E-02 ppm1 1.647 ppm2 .721 CV 1
ASSI { 1688}
( segid "A " and resid 41 and name HB% )
(( segid "A " and resid 48 and name HD3 ))
2.500 2.500 3.500 peak 1688 spectrum 1 weight .10000E+01 volume .24175E-02 ppm1 1.453 ppm2 3.184 CV 1
ASSI { 1689}
( segid "A " and resid 41 and name HB% )
(( segid "A " and resid 37 and name HB3 ))
2.400 2.400 3.600 peak 1689 spectrum 1 weight .10000E+01 volume .28418E-02 ppm1 1.454 ppm2 2.257 CV 1
ASSI { 1698}
( segid "A " and resid 93 and name HB% )
( segid "B " and resid 76 and name HB% )
2.300 2.300 3.700 peak 1698 spectrum 1 weight .10000E+01 volume .34120E-02 ppm1 1.778 ppm2 1.089 CV 1
ASSI { 1703}
( segid "A " and resid 61 and name HB% )
(( segid "A " and resid 61 and name HA ))
1.800 .400 .400 peak 1703 spectrum 1 weight .10000E+01 volume .15493E-01 ppm1 1.550 ppm2 4.139 CV 1
ASSI { 1732}
(( segid "A " and resid 53 and name HB2 ))
(( segid "A " and resid 53 and name HA ))
2.300 .700 .700 peak 1732 spectrum 1 weight .10000E+01 volume .35441E-02 ppm1 2.220 ppm2 4.142 CV 1
ASSI { 1733}
(( segid "A " and resid 53 and name HB2 ))
(( segid "A " and resid 53 and name HA ))
2.300 .700 .700 peak 1733 spectrum 1 weight .10000E+01 volume .38872E-02 ppm1 2.154 ppm2 4.141 CV 1
OR { 1733}
(( segid "A " and resid 53 and name HB3 ))
(( segid "A " and resid 53 and name HA ))
ASSI { 1743}
(( segid "A " and resid 15 and name HB2 ))
(( segid "A " and resid 14 and name HB ))
1.900 1.900 4.100 peak 1743 spectrum 1 weight .10000E+01 volume .12461E-01 ppm1 2.068 ppm2 1.888 CV 1
ASSI { 1755}
(( segid "A " and resid 18 and name HB3 ))
( segid "A " and resid 19 and name HG1%)
2.800 2.800 3.200 peak 1755 spectrum 1 weight .10000E+01 volume .11800E-02 ppm1 1.875 ppm2 .865 CV 1
ASSI { 1763}
(( segid "A " and resid 95 and name HD3 ))
(( segid "A " and resid 100 and name HE2 ))
1.900 1.900 4.100 peak 1763 spectrum 1 weight .10000E+01 volume .13214E-01 ppm1 1.740 ppm2 2.985 CV 1
ASSI { 1779}
(( segid "A " and resid 17 and name HB2 ))
(( segid "A " and resid 14 and name HA ))
2.800 1.000 1.000 peak 1779 spectrum 1 weight .10000E+01 volume .12249E-02 ppm1 1.586 ppm2 4.043 CV 1
ASSI { 1781}
(( segid "A " and resid 17 and name HB2 ))
(( segid "A " and resid 14 and name HB ))
3.000 1.100 1.100 peak 1781 spectrum 1 weight .10000E+01 volume .74220E-03 ppm1 1.588 ppm2 1.881 CV 1
ASSI { 1783}
(( segid "A " and resid 17 and name HB3 ))
( segid "A " and resid 19 and name HG1%)
2.700 2.700 3.300 peak 1783 spectrum 1 weight .10000E+01 volume .13536E-02 ppm1 1.516 ppm2 .865 CV 1
ASSI { 1815}
(( segid "A " and resid 74 and name HB ))
( segid "A " and resid 74 and name HG1%)
2.100 .500 .500 peak 1815 spectrum 1 weight .10000E+01 volume .72381E-02 ppm1 1.938 ppm2 .864 CV 1
ASSI { 1817}
(( segid "A " and resid 74 and name HB ))
(( segid "B " and resid 86 and name HB ))
2.600 2.600 3.400 peak 1817 spectrum 1 weight .10000E+01 volume .19211E-02 ppm1 1.938 ppm2 2.066 CV 1
ASSI { 1818}
(( segid "A " and resid 74 and name HB ))
(( segid "B " and resid 80 and name HA ))
3.000 3.000 3.000 peak 1818 spectrum 1 weight .10000E+01 volume .70959E-03 ppm1 1.936 ppm2 3.696 CV 1
ASSI { 69}
(( segid "B " and resid 7 and name HA ))
(( segid "B " and resid 11 and name HB2 ))
2.500 2.500 3.500 peak 69 spectrum 1 weight .10000E+01 volume .23582E-02 ppm1 4.048 ppm2 2.137 CV 1
ASSI { 70}
(( segid "B " and resid 90 and name HA ))
(( segid "B " and resid 89 and name HB3 ))
2.500 2.500 3.500 peak 70 spectrum 1 weight .10000E+01 volume .21558E-02 ppm1 4.048 ppm2 1.997 CV 1
ASSI { 81}
(( segid "B " and resid 74 and name HA ))
(( segid "B " and resid 74 and name HB ))
2.500 .800 .800 peak 81 spectrum 1 weight .10000E+01 volume .22854E-02 ppm1 4.618 ppm2 1.907 CV 1
ASSI { 110}
(( segid "B " and resid 8 and name HA ))
(( segid "B " and resid 8 and name HB3 ))
2.000 2.000 4.000 peak 110 spectrum 1 weight .10000E+01 volume .88687E-02 ppm1 4.247 ppm2 3.876 CV 1
ASSI { 173}
(( segid "B " and resid 58 and name HA ))
( segid "B " and resid 61 and name HB% )
2.500 .800 .800 peak 173 spectrum 1 weight .10000E+01 volume .21270E-02 ppm1 3.548 ppm2 1.521 CV 1
ASSI { 179}
(( segid "B " and resid 23 and name HA ))
( segid "B " and resid 54 and name HB% )
2.400 .700 .700 peak 179 spectrum 1 weight .10000E+01 volume .26750E-02 ppm1 3.806 ppm2 1.669 CV 1
ASSI { 180}
(( segid "B " and resid 55 and name HA ))
( segid "B " and resid 27 and name HB% )
2.500 .800 .800 peak 180 spectrum 1 weight .10000E+01 volume .21575E-02 ppm1 3.379 ppm2 1.635 CV 1
ASSI { 189}
(( segid "B " and resid 51 and name HA ))
( segid "B " and resid 26 and name HG2%)
2.600 .900 .900 peak 189 spectrum 1 weight .10000E+01 volume .17178E-02 ppm1 3.629 ppm2 .666 CV 1
ASSI { 199}
(( segid "B " and resid 51 and name HA ))
( segid "B " and resid 54 and name HB% )
2.700 .900 .900 peak 199 spectrum 1 weight .10000E+01 volume .15221E-02 ppm1 3.632 ppm2 1.666 CV 1
ASSI { 213}
(( segid "B " and resid 4 and name HA ))
( segid "B " and resid 32 and name HG1%)
2.900 2.900 3.100 peak 213 spectrum 1 weight .10000E+01 volume .90974E-03 ppm1 5.044 ppm2 .807 CV 1
ASSI { 216}
(( segid "B " and resid 4 and name HA ))
(( segid "B " and resid 31 and name HA ))
3.000 1.100 1.100 peak 216 spectrum 1 weight .10000E+01 volume .78946E-03 ppm1 5.044 ppm2 4.249 CV 1
ASSI { 229}
(( segid "B " and resid 17 and name HA ))
(( segid "B " and resid 17 and name HG ))
2.100 2.100 3.900 peak 229 spectrum 1 weight .10000E+01 volume .64817E-02 ppm1 4.357 ppm2 1.749 CV 1
ASSI { 230}
(( segid "B " and resid 17 and name HA ))
(( segid "B " and resid 17 and name HB3 ))
2.200 .600 .600 peak 230 spectrum 1 weight .10000E+01 volume .56448E-02 ppm1 4.347 ppm2 1.502 CV 1
ASSI { 235}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 36 and name HA ))
2.500 2.500 3.500 peak 235 spectrum 1 weight .10000E+01 volume .21329E-02 ppm1 4.463 ppm2 3.962 CV 1
ASSI { 240}
(( segid "B " and resid 18 and name HA ))
(( segid "B " and resid 18 and name HB3 ))
2.300 .600 .600 peak 240 spectrum 1 weight .10000E+01 volume .42895E-02 ppm1 4.471 ppm2 1.887 CV 1
ASSI { 255}
(( segid "B " and resid 83 and name HA ))
(( segid "B " and resid 86 and name HB ))
2.800 1.000 1.000 peak 255 spectrum 1 weight .10000E+01 volume .12502E-02 ppm1 3.740 ppm2 2.067 CV 1
ASSI { 256}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 3 and name HB3 ))
2.500 .800 .800 peak 256 spectrum 1 weight .10000E+01 volume .24650E-02 ppm1 3.865 ppm2 1.176 CV 1
ASSI { 258}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 3 and name HD3 ))
2.500 2.500 3.500 peak 258 spectrum 1 weight .10000E+01 volume .25310E-02 ppm1 3.866 ppm2 .756 CV 1
ASSI { 259}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 3 and name HG2 ))
2.500 .800 .800 peak 259 spectrum 1 weight .10000E+01 volume .26038E-02 ppm1 3.864 ppm2 .354 CV 1
ASSI { 266}
( segid "B " and resid 83 and name HB% )
( segid "A " and resid 74 and name HG1%)
2.000 2.000 4.000 peak 266 spectrum 1 weight .10000E+01 volume .81682E-02 ppm1 1.241 ppm2 .860 CV 1
ASSI { 267}
( segid "B " and resid 83 and name HB% )
(( segid "B " and resid 86 and name HB ))
2.400 .700 .700 peak 267 spectrum 1 weight .10000E+01 volume .32586E-02 ppm1 1.241 ppm2 2.065 CV 1
ASSI { 275}
(( segid "B " and resid 33 and name HB3 ))
(( segid "B " and resid 4 and name HG2 ))
2.800 2.800 3.200 peak 275 spectrum 1 weight .10000E+01 volume .11715E-02 ppm1 2.804 ppm2 1.406 CV 1
ASSI { 276}
(( segid "B " and resid 33 and name HB2 ))
(( segid "B " and resid 29 and name HA1 ))
3.000 1.100 1.100 peak 276 spectrum 1 weight .10000E+01 volume .77252E-03 ppm1 3.329 ppm2 3.811 CV 1
ASSI { 277}
(( segid "B " and resid 33 and name HB2 ))
(( segid "B " and resid 29 and name HA2 ))
2.800 1.000 1.000 peak 277 spectrum 1 weight .10000E+01 volume .10715E-02 ppm1 3.328 ppm2 3.989 CV 1
ASSI { 281}
(( segid "B " and resid 33 and name HB3 ))
(( segid "B " and resid 29 and name HA2 ))
2.800 2.800 3.200 peak 281 spectrum 1 weight .10000E+01 volume .10825E-02 ppm1 2.798 ppm2 3.981 CV 1
ASSI { 282}
(( segid "B " and resid 33 and name HB3 ))
(( segid "B " and resid 29 and name HA1 ))
3.000 1.100 1.100 peak 282 spectrum 1 weight .10000E+01 volume .81860E-03 ppm1 2.804 ppm2 3.804 CV 1
ASSI { 305}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 12 and name HB3 ))
2.200 .600 .600 peak 305 spectrum 1 weight .10000E+01 volume .57117E-02 ppm1 4.037 ppm2 2.196 CV 1
ASSI { 306}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 15 and name HB2 ))
2.200 2.200 3.800 peak 306 spectrum 1 weight .10000E+01 volume .49121E-02 ppm1 4.038 ppm2 2.093 CV 1
ASSI { 318}
(( segid "B " and resid 19 and name HB ))
(( segid "B " and resid 23 and name HG1 ))
2.500 2.500 3.500 peak 318 spectrum 1 weight .10000E+01 volume .20744E-02 ppm1 2.187 ppm2 1.167 CV 1
ASSI { 333}
(( segid "B " and resid 23 and name HB ))
( segid "B " and resid 24 and name HD1%)
2.400 2.400 3.600 peak 333 spectrum 1 weight .10000E+01 volume .28902E-02 ppm1 4.286 ppm2 .774 CV 1
ASSI { 338}
(( segid "B " and resid 11 and name HA ))
(( segid "B " and resid 14 and name HG12))
2.600 .900 .900 peak 338 spectrum 1 weight .10000E+01 volume .17466E-02 ppm1 3.806 ppm2 1.174 CV 1
ASSI { 340}
(( segid "B " and resid 11 and name HA ))
( segid "B " and resid 14 and name HD1%)
2.700 .900 .900 peak 340 spectrum 1 weight .10000E+01 volume .15137E-02 ppm1 3.806 ppm2 .686 CV 1
ASSI { 341}
(( segid "B " and resid 11 and name HA ))
( segid "B " and resid 14 and name HG2%)
3.000 1.100 1.100 peak 341 spectrum 1 weight .10000E+01 volume .75355E-03 ppm1 3.802 ppm2 .253 CV 1
ASSI { 342}
(( segid "B " and resid 11 and name HA ))
(( segid "B " and resid 14 and name HG13))
2.700 .900 .900 peak 342 spectrum 1 weight .10000E+01 volume .14002E-02 ppm1 3.804 ppm2 1.035 CV 1
ASSI { 347}
(( segid "B " and resid 48 and name HA ))
( segid "B " and resid 41 and name HB% )
2.500 .800 .800 peak 347 spectrum 1 weight .10000E+01 volume .25496E-02 ppm1 3.894 ppm2 1.427 CV 1
ASSI { 368}
(( segid "B " and resid 90 and name HA ))
(( segid "B " and resid 90 and name HB3 ))
2.400 .700 .700 peak 368 spectrum 1 weight .10000E+01 volume .26258E-02 ppm1 3.981 ppm2 2.077 CV 1
ASSI { 374}
(( segid "B " and resid 7 and name HA ))
( segid "B " and resid 32 and name HG1%)
2.600 .800 .800 peak 374 spectrum 1 weight .10000E+01 volume .18482E-02 ppm1 4.046 ppm2 .813 CV 1
ASSI { 376}
(( segid "B " and resid 90 and name HA ))
(( segid "B " and resid 92 and name HB2 ))
2.800 2.800 3.200 peak 376 spectrum 1 weight .10000E+01 volume .11393E-02 ppm1 4.048 ppm2 2.742 CV 1
ASSI { 377}
(( segid "B " and resid 90 and name HA ))
(( segid "B " and resid 86 and name HA ))
2.800 2.800 3.200 peak 377 spectrum 1 weight .10000E+01 volume .12960E-02 ppm1 4.049 ppm2 3.249 CV 1
ASSI { 381}
(( segid "B " and resid 73 and name HA ))
(( segid "A " and resid 77 and name HA ))
3.100 1.200 1.200 peak 381 spectrum 1 weight .10000E+01 volume .61674E-03 ppm1 5.028 ppm2 4.667 CV 1
ASSI { 401}
(( segid "B " and resid 68 and name HD3 ))
(( segid "B " and resid 68 and name HB3 ))
2.800 2.800 3.200 peak 401 spectrum 1 weight .10000E+01 volume .12968E-02 ppm1 3.994 ppm2 2.122 CV 1
ASSI { 402}
(( segid "B " and resid 68 and name HD3 ))
(( segid "B " and resid 68 and name HB2 ))
2.700 2.700 3.300 peak 402 spectrum 1 weight .10000E+01 volume .14028E-02 ppm1 3.993 ppm2 2.061 CV 1
ASSI { 417}
(( segid "B " and resid 46 and name HA ))
(( segid "B " and resid 46 and name HB3 ))
2.600 .800 .800 peak 417 spectrum 1 weight .10000E+01 volume .18813E-02 ppm1 4.788 ppm2 1.621 CV 1
ASSI { 426}
(( segid "B " and resid 92 and name HA ))
(( segid "B " and resid 92 and name HB3 ))
2.500 .800 .800 peak 426 spectrum 1 weight .10000E+01 volume .21091E-02 ppm1 4.491 ppm2 2.930 CV 1
ASSI { 427}
(( segid "B " and resid 92 and name HA ))
(( segid "B " and resid 92 and name HB2 ))
2.500 .800 .800 peak 427 spectrum 1 weight .10000E+01 volume .25962E-02 ppm1 4.491 ppm2 2.735 CV 1
ASSI { 428}
(( segid "B " and resid 92 and name HA ))
(( segid "B " and resid 95 and name HB3 ))
2.500 2.500 3.500 peak 428 spectrum 1 weight .10000E+01 volume .23497E-02 ppm1 4.491 ppm2 1.933 CV 1
ASSI { 429}
(( segid "B " and resid 92 and name HA ))
(( segid "B " and resid 95 and name HB2 ))
2.700 .900 .900 peak 429 spectrum 1 weight .10000E+01 volume .15899E-02 ppm1 4.492 ppm2 1.731 CV 1
ASSI { 441}
(( segid "B " and resid 10 and name HA ))
( segid "B " and resid 5 and name HD2%)
2.600 2.600 3.400 peak 441 spectrum 1 weight .10000E+01 volume .18093E-02 ppm1 3.749 ppm2 .609 CV 1
ASSI { 443}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 14 and name HB ))
2.400 .700 .700 peak 443 spectrum 1 weight .10000E+01 volume .30062E-02 ppm1 4.072 ppm2 1.882 CV 1
ASSI { 444}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 17 and name HB3 ))
2.400 2.400 3.600 peak 444 spectrum 1 weight .10000E+01 volume .26767E-02 ppm1 4.072 ppm2 1.505 CV 1
ASSI { 464}
(( segid "B " and resid 37 and name HG2 ))
(( segid "B " and resid 55 and name HB ))
2.300 2.300 3.700 peak 464 spectrum 1 weight .10000E+01 volume .34374E-02 ppm1 2.724 ppm2 2.162 CV 1
ASSI { 467}
(( segid "B " and resid 37 and name HG2 ))
( segid "B " and resid 30 and name HG1%)
2.700 .900 .900 peak 467 spectrum 1 weight .10000E+01 volume .14925E-02 ppm1 2.728 ppm2 .910 CV 1
ASSI { 489}
(( segid "B " and resid 41 and name HA ))
(( segid "B " and resid 46 and name HB3 ))
2.700 2.700 3.300 peak 489 spectrum 1 weight .10000E+01 volume .14917E-02 ppm1 3.971 ppm2 1.621 CV 1
ASSI { 491}
(( segid "B " and resid 5 and name HA ))
(( segid "B " and resid 6 and name HG1 ))
2.800 2.800 3.200 peak 491 spectrum 1 weight .10000E+01 volume .11630E-02 ppm1 4.839 ppm2 1.280 CV 1
ASSI { 494}
(( segid "B " and resid 6 and name HA ))
( segid "B " and resid 32 and name HG1%)
2.800 1.000 1.000 peak 494 spectrum 1 weight .10000E+01 volume .11698E-02 ppm1 4.510 ppm2 .814 CV 1
ASSI { 506}
(( segid "B " and resid 9 and name HA ))
( segid "B " and resid 5 and name HD1%)
2.800 2.800 3.200 peak 506 spectrum 1 weight .10000E+01 volume .12714E-02 ppm1 4.164 ppm2 .023 CV 1
ASSI { 507}
(( segid "B " and resid 53 and name HA ))
(( segid "B " and resid 56 and name HB2 ))
2.400 .700 .700 peak 507 spectrum 1 weight .10000E+01 volume .29037E-02 ppm1 4.157 ppm2 3.279 CV 1
ASSI { 524}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 20 and name HA1 ))
3.000 3.000 3.000 peak 524 spectrum 1 weight .10000E+01 volume .76939E-03 ppm1 4.604 ppm2 4.025 CV 1
ASSI { 531}
(( segid "B " and resid 21 and name HA ))
(( segid "B " and resid 25 and name HB2 ))
2.300 2.300 3.700 peak 531 spectrum 1 weight .10000E+01 volume .39008E-02 ppm1 3.966 ppm2 2.153 CV 1
ASSI { 535}
(( segid "B " and resid 21 and name HA ))
( segid "B " and resid 24 and name HD1%)
2.500 .800 .800 peak 535 spectrum 1 weight .10000E+01 volume .24615E-02 ppm1 3.963 ppm2 .754 CV 1
ASSI { 538}
(( segid "B " and resid 53 and name HA ))
(( segid "B " and resid 53 and name HG2 ))
2.400 .700 .700 peak 538 spectrum 1 weight .10000E+01 volume .31308E-02 ppm1 4.167 ppm2 2.408 CV 1
ASSI { 539}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 25 and name HG2 ))
2.800 2.800 3.200 peak 539 spectrum 1 weight .10000E+01 volume .10707E-02 ppm1 4.164 ppm2 2.279 CV 1
ASSI { 541}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 22 and name HB3 ))
2.300 .700 .700 peak 541 spectrum 1 weight .10000E+01 volume .39998E-02 ppm1 4.168 ppm2 2.070 CV 1
ASSI { 544}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 25 and name HB2 ))
2.500 .800 .800 peak 544 spectrum 1 weight .10000E+01 volume .21295E-02 ppm1 4.169 ppm2 2.149 CV 1
ASSI { 546}
(( segid "B " and resid 22 and name HA ))
( segid "B " and resid 46 and name HD2%)
2.900 2.900 3.100 peak 546 spectrum 1 weight .10000E+01 volume .89618E-03 ppm1 4.162 ppm2 .825 CV 1
ASSI { 559}
(( segid "B " and resid 26 and name HA ))
( segid "B " and resid 44 and name HD1%)
3.000 3.000 3.000 peak 559 spectrum 1 weight .10000E+01 volume .76514E-03 ppm1 2.729 ppm2 .851 CV 1
ASSI { 567}
(( segid "B " and resid 28 and name HA ))
(( segid "B " and resid 28 and name HB3 ))
2.600 .900 .900 peak 567 spectrum 1 weight .10000E+01 volume .16738E-02 ppm1 2.911 ppm2 1.522 CV 1
ASSI { 572}
(( segid "B " and resid 28 and name HA ))
(( segid "B " and resid 32 and name HB ))
3.000 1.100 1.100 peak 572 spectrum 1 weight .10000E+01 volume .78327E-03 ppm1 2.892 ppm2 2.061 CV 1
ASSI { 575}
(( segid "B " and resid 28 and name HA ))
( segid "B " and resid 32 and name HG1%)
2.900 2.900 3.100 peak 575 spectrum 1 weight .10000E+01 volume .95209E-03 ppm1 2.888 ppm2 .810 CV 1
ASSI { 600}
(( segid "B " and resid 44 and name HA ))
(( segid "B " and resid 44 and name HB2 ))
2.400 .700 .700 peak 600 spectrum 1 weight .10000E+01 volume .29631E-02 ppm1 4.532 ppm2 1.510 CV 1
ASSI { 601}
(( segid "B " and resid 44 and name HA ))
( segid "B " and resid 44 and name HD1%)
2.100 2.100 3.900 peak 601 spectrum 1 weight .10000E+01 volume .67460E-02 ppm1 4.533 ppm2 .855 CV 1
ASSI { 614}
(( segid "B " and resid 38 and name HA ))
( segid "B " and resid 41 and name HB% )
1.900 1.900 4.100 peak 614 spectrum 1 weight .10000E+01 volume .11105E-01 ppm1 4.075 ppm2 1.444 CV 1
ASSI { 617}
(( segid "B " and resid 39 and name HA ))
( segid "B " and resid 41 and name HB% )
2.800 2.800 3.200 peak 617 spectrum 1 weight .10000E+01 volume .11156E-02 ppm1 3.992 ppm2 1.454 CV 1
ASSI { 618}
(( segid "B " and resid 39 and name HA ))
(( segid "B " and resid 42 and name HG1 ))
2.700 2.700 3.300 peak 618 spectrum 1 weight .10000E+01 volume .13553E-02 ppm1 3.992 ppm2 1.237 CV 1
ASSI { 620}
(( segid "B " and resid 40 and name HA ))
(( segid "B " and resid 43 and name HB2 ))
2.600 .900 .900 peak 620 spectrum 1 weight .10000E+01 volume .16907E-02 ppm1 4.302 ppm2 3.891 CV 1
ASSI { 623}
(( segid "B " and resid 40 and name HA ))
( segid "B " and resid 44 and name HD1%)
2.800 2.800 3.200 peak 623 spectrum 1 weight .10000E+01 volume .10681E-02 ppm1 4.302 ppm2 .842 CV 1
ASSI { 627}
(( segid "B " and resid 50 and name HA ))
(( segid "B " and resid 53 and name HB2 ))
2.500 .800 .800 peak 627 spectrum 1 weight .10000E+01 volume .23489E-02 ppm1 4.187 ppm2 2.180 CV 1
ASSI { 629}
(( segid "B " and resid 50 and name HA ))
( segid "B " and resid 50 and name HB% )
2.100 .500 .500 peak 629 spectrum 1 weight .10000E+01 volume .74253E-02 ppm1 4.187 ppm2 1.522 CV 1
ASSI { 630}
(( segid "B " and resid 54 and name HA ))
(( segid "B " and resid 23 and name HG1 ))
2.300 2.300 3.700 peak 630 spectrum 1 weight .10000E+01 volume .36593E-02 ppm1 4.196 ppm2 1.168 CV 1
ASSI { 631}
(( segid "B " and resid 55 and name HA ))
(( segid "B " and resid 27 and name HA ))
2.800 1.000 1.000 peak 631 spectrum 1 weight .10000E+01 volume .11698E-02 ppm1 3.376 ppm2 3.857 CV 1
ASSI { 638}
(( segid "B " and resid 57 and name HA ))
(( segid "B " and resid 57 and name HD3 ))
2.700 .900 .900 peak 638 spectrum 1 weight .10000E+01 volume .15976E-02 ppm1 4.091 ppm2 3.177 CV 1
ASSI { 645}
(( segid "B " and resid 58 and name HA ))
(( segid "B " and resid 24 and name HG12))
3.000 3.000 3.000 peak 645 spectrum 1 weight .10000E+01 volume .84637E-03 ppm1 3.551 ppm2 1.632 CV 1
OR { 645}
(( segid "B " and resid 58 and name HA ))
(( segid "B " and resid 24 and name HG13))
ASSI { 664}
(( segid "B " and resid 100 and name HA ))
(( segid "B " and resid 100 and name HD3 ))
2.300 2.300 3.700 peak 664 spectrum 1 weight .10000E+01 volume .35644E-02 ppm1 4.359 ppm2 1.672 CV 1
ASSI { 667}
(( segid "B " and resid 65 and name HA ))
(( segid "B " and resid 65 and name HD3 ))
2.300 2.300 3.700 peak 667 spectrum 1 weight .10000E+01 volume .40337E-02 ppm1 4.126 ppm2 1.610 CV 1
ASSI { 669}
(( segid "B " and resid 65 and name HA ))
(( segid "B " and resid 65 and name HG2 ))
2.400 .700 .700 peak 669 spectrum 1 weight .10000E+01 volume .31146E-02 ppm1 4.127 ppm2 1.375 CV 1
ASSI { 673}
(( segid "B " and resid 99 and name HA ))
(( segid "B " and resid 99 and name HG1 ))
2.100 2.100 3.900 peak 673 spectrum 1 weight .10000E+01 volume .63496E-02 ppm1 4.324 ppm2 1.217 CV 1
ASSI { 678}
(( segid "B " and resid 71 and name HA ))
(( segid "B " and resid 71 and name HB3 ))
3.100 1.200 1.200 peak 678 spectrum 1 weight .10000E+01 volume .67392E-03 ppm1 5.022 ppm2 2.457 CV 1
ASSI { 680}
(( segid "B " and resid 71 and name HA ))
( segid "A " and resid 77 and name HG1%)
3.100 3.100 2.900 peak 680 spectrum 1 weight .10000E+01 volume .61929E-03 ppm1 5.031 ppm2 .869 CV 1
ASSI { 682}
(( segid "B " and resid 73 and name HA ))
( segid "B " and resid 93 and name HB% )
3.100 3.100 2.900 peak 682 spectrum 1 weight .10000E+01 volume .63233E-03 ppm1 5.038 ppm2 1.787 CV 1
ASSI { 683}
(( segid "B " and resid 73 and name HA ))
(( segid "B " and resid 73 and name HB2 ))
3.100 1.200 1.200 peak 683 spectrum 1 weight .10000E+01 volume .68510E-03 ppm1 5.016 ppm2 1.562 CV 1
ASSI { 693}
(( segid "B " and resid 77 and name HA ))
(( segid "A " and resid 73 and name HB2 ))
3.200 1.300 1.300 peak 693 spectrum 1 weight .10000E+01 volume .53729E-03 ppm1 4.696 ppm2 1.556 CV 1
ASSI { 703}
(( segid "B " and resid 79 and name HA ))
( segid "A " and resid 72 and name HB% )
2.900 2.900 3.100 peak 703 spectrum 1 weight .10000E+01 volume .87924E-03 ppm1 4.211 ppm2 1.184 CV 1
ASSI { 705}
(( segid "B " and resid 79 and name HA ))
( segid "A " and resid 74 and name HG2%)
3.000 3.000 3.000 peak 705 spectrum 1 weight .10000E+01 volume .71237E-03 ppm1 4.213 ppm2 .798 CV 1
ASSI { 706}
(( segid "B " and resid 80 and name HA ))
( segid "A " and resid 74 and name HG1%)
3.000 1.200 1.200 peak 706 spectrum 1 weight .10000E+01 volume .72280E-03 ppm1 3.697 ppm2 .868 CV 1
ASSI { 709}
(( segid "B " and resid 82 and name HA ))
( segid "B " and resid 86 and name HG2%)
3.000 3.000 3.000 peak 709 spectrum 1 weight .10000E+01 volume .80809E-03 ppm1 3.674 ppm2 1.664 CV 1
ASSI { 714}
(( segid "B " and resid 82 and name HA ))
( segid "B " and resid 85 and name HD1%)
2.700 .900 .900 peak 714 spectrum 1 weight .10000E+01 volume .13121E-02 ppm1 3.672 ppm2 .745 CV 1
ASSI { 724}
(( segid "B " and resid 84 and name HA ))
( segid "B " and resid 86 and name HG2%)
3.000 3.000 3.000 peak 724 spectrum 1 weight .10000E+01 volume .81665E-03 ppm1 4.044 ppm2 1.665 CV 1
ASSI { 734}
(( segid "B " and resid 87 and name HA ))
(( segid "B " and resid 86 and name HA ))
3.200 3.200 2.800 peak 734 spectrum 1 weight .10000E+01 volume .52924E-03 ppm1 4.085 ppm2 3.232 CV 1
ASSI { 737}
(( segid "B " and resid 7 and name HA ))
(( segid "B " and resid 10 and name HB3 ))
3.200 1.300 1.300 peak 737 spectrum 1 weight .10000E+01 volume .55347E-03 ppm1 4.074 ppm2 2.747 CV 1
ASSI { 740}
(( segid "B " and resid 87 and name HA ))
( segid "B " and resid 86 and name HG2%)
2.700 2.700 3.300 peak 740 spectrum 1 weight .10000E+01 volume .16246E-02 ppm1 4.073 ppm2 1.663 CV 1
ASSI { 742}
(( segid "B " and resid 88 and name HA ))
(( segid "B " and resid 92 and name HB2 ))
2.700 2.700 3.300 peak 742 spectrum 1 weight .10000E+01 volume .14179E-02 ppm1 4.125 ppm2 2.747 CV 1
ASSI { 744}
(( segid "B " and resid 88 and name HA ))
(( segid "B " and resid 88 and name HB3 ))
2.400 .700 .700 peak 744 spectrum 1 weight .10000E+01 volume .31197E-02 ppm1 4.139 ppm2 1.741 CV 1
ASSI { 745}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 24 and name HG13))
2.300 2.300 3.700 peak 745 spectrum 1 weight .10000E+01 volume .35509E-02 ppm1 4.140 ppm2 1.614 CV 1
OR { 745}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 24 and name HG12))
ASSI { 754}
(( segid "B " and resid 89 and name HA ))
(( segid "B " and resid 92 and name HB3 ))
3.000 1.100 1.100 peak 754 spectrum 1 weight .10000E+01 volume .83664E-03 ppm1 4.752 ppm2 2.939 CV 1
ASSI { 760}
(( segid "B " and resid 91 and name HA ))
(( segid "B " and resid 94 and name HB2 ))
2.400 2.400 3.600 peak 760 spectrum 1 weight .10000E+01 volume .26903E-02 ppm1 4.221 ppm2 1.949 CV 1
ASSI { 770}
(( segid "B " and resid 95 and name HA ))
(( segid "B " and resid 95 and name HB2 ))
2.300 .700 .700 peak 770 spectrum 1 weight .10000E+01 volume .36550E-02 ppm1 4.233 ppm2 1.726 CV 1
ASSI { 771}
(( segid "B " and resid 95 and name HA ))
(( segid "B " and resid 95 and name HG2 ))
2.300 .600 .600 peak 771 spectrum 1 weight .10000E+01 volume .40607E-02 ppm1 4.233 ppm2 1.489 CV 1
ASSI { 779}
(( segid "B " and resid 2 and name HA ))
(( segid "B " and resid 2 and name HG3 ))
2.300 .700 .700 peak 779 spectrum 1 weight .10000E+01 volume .34925E-02 ppm1 4.249 ppm2 1.394 CV 1
ASSI { 785}
(( segid "B " and resid 68 and name HA ))
(( segid "B " and resid 68 and name HB3 ))
2.500 .800 .800 peak 785 spectrum 1 weight .10000E+01 volume .23099E-02 ppm1 4.351 ppm2 2.098 CV 1
ASSI { 807}
(( segid "B " and resid 57 and name HG2 ))
(( segid "B " and resid 57 and name HB3 ))
3.100 1.200 1.200 peak 807 spectrum 1 weight .10000E+01 volume .65579E-03 ppm1 1.191 ppm2 2.059 CV 1
ASSI { 848}
(( segid "B " and resid 51 and name HB ))
( segid "B " and resid 41 and name HB% )
2.800 1.000 1.000 peak 848 spectrum 1 weight .10000E+01 volume .12612E-02 ppm1 2.289 ppm2 1.427 CV 1
ASSI { 855}
(( segid "B " and resid 14 and name HG13))
( segid "B " and resid 17 and name HD2%)
1.900 1.900 4.100 peak 855 spectrum 1 weight .10000E+01 volume .10885E-01 ppm1 1.020 ppm2 .833 CV 1
ASSI { 856}
(( segid "B " and resid 14 and name HG12))
(( segid "B " and resid 14 and name HG13))
2.400 .700 .700 peak 856 spectrum 1 weight .10000E+01 volume .26480E-02 ppm1 1.208 ppm2 1.034 CV 1
ASSI { 857}
(( segid "B " and resid 14 and name HG12))
( segid "B " and resid 14 and name HD1%)
2.500 .800 .800 peak 857 spectrum 1 weight .10000E+01 volume .22524E-02 ppm1 1.209 ppm2 .687 CV 1
ASSI { 878}
( segid "B " and resid 58 and name HG2%)
( segid "B " and resid 13 and name HB% )
2.300 2.300 3.700 peak 878 spectrum 1 weight .10000E+01 volume .38380E-02 ppm1 .659 ppm2 1.356 CV 1
ASSI { 879}
( segid "B " and resid 58 and name HG2%)
(( segid "B " and resid 24 and name HG12))
2.200 2.200 3.800 peak 879 spectrum 1 weight .10000E+01 volume .43767E-02 ppm1 .658 ppm2 1.632 CV 1
ASSI { 881}
( segid "B " and resid 58 and name HG2%)
( segid "B " and resid 14 and name HG2%)
2.200 .600 .600 peak 881 spectrum 1 weight .10000E+01 volume .46749E-02 ppm1 .658 ppm2 .253 CV 1
ASSI { 933}
( segid "B " and resid 17 and name HD1%)
(( segid "B " and resid 17 and name HB3 ))
1.900 1.900 4.100 peak 933 spectrum 1 weight .10000E+01 volume .12138E-01 ppm1 .747 ppm2 1.509 CV 1
ASSI { 945}
( segid "B " and resid 5 and name HD1%)
( segid "B " and resid 62 and name HE% )
2.700 .900 .900 peak 945 spectrum 1 weight .10000E+01 volume .13739E-02 ppm1 .051 ppm2 7.091 CV 1
ASSI { 948}
( segid "B " and resid 5 and name HD1%)
(( segid "B " and resid 59 and name HE3 ))
3.000 1.100 1.100 peak 948 spectrum 1 weight .10000E+01 volume .82156E-03 ppm1 .053 ppm2 7.224 CV 1
ASSI { 949}
( segid "B " and resid 5 and name HD1%)
(( segid "B " and resid 5 and name HA ))
2.600 2.600 3.400 peak 949 spectrum 1 weight .10000E+01 volume .18195E-02 ppm1 .052 ppm2 4.812 CV 1
ASSI { 958}
( segid "B " and resid 19 and name HG2%)
(( segid "B " and resid 24 and name HG12))
2.100 2.100 3.900 peak 958 spectrum 1 weight .10000E+01 volume .61582E-02 ppm1 .785 ppm2 1.633 CV 1
OR { 958}
( segid "B " and resid 19 and name HG2%)
(( segid "B " and resid 24 and name HG13))
ASSI { 961}
( segid "B " and resid 58 and name HG1%)
( segid "B " and resid 13 and name HB% )
2.700 .900 .900 peak 961 spectrum 1 weight .10000E+01 volume .16246E-02 ppm1 .785 ppm2 1.358 CV 1
ASSI { 962}
( segid "B " and resid 58 and name HG1%)
( segid "B " and resid 14 and name HG2%)
2.300 .700 .700 peak 962 spectrum 1 weight .10000E+01 volume .33628E-02 ppm1 .786 ppm2 .254 CV 1
ASSI { 965}
( segid "B " and resid 51 and name HG2%)
(( segid "B " and resid 40 and name HB3 ))
2.400 .700 .700 peak 965 spectrum 1 weight .10000E+01 volume .31096E-02 ppm1 1.007 ppm2 2.977 CV 1
ASSI { 969}
( segid "B " and resid 51 and name HG2%)
(( segid "B " and resid 46 and name HB3 ))
2.300 .600 .600 peak 969 spectrum 1 weight .10000E+01 volume .40260E-02 ppm1 1.009 ppm2 1.632 CV 1
ASSI { 970}
( segid "B " and resid 51 and name HG2%)
(( segid "B " and resid 46 and name HG ))
2.300 2.300 3.700 peak 970 spectrum 1 weight .10000E+01 volume .42828E-02 ppm1 1.006 ppm2 1.503 CV 1
ASSI { 971}
( segid "B " and resid 51 and name HG2%)
(( segid "B " and resid 46 and name HB2 ))
2.100 .500 .500 peak 971 spectrum 1 weight .10000E+01 volume .74558E-02 ppm1 1.006 ppm2 1.423 CV 1
ASSI { 973}
( segid "B " and resid 51 and name HG2%)
(( segid "B " and resid 26 and name HG12))
1.500 1.500 4.500 peak 973 spectrum 1 weight .10000E+01 volume .58591E-01 ppm1 1.009 ppm2 .980 CV 1
ASSI { 976}
(( segid "B " and resid 46 and name HG ))
( segid "B " and resid 46 and name HD1%)
2.000 .500 .500 peak 976 spectrum 1 weight .10000E+01 volume .77861E-02 ppm1 1.524 ppm2 .721 CV 1
ASSI { 1031}
(( segid "B " and resid 57 and name HD2 ))
( segid "B " and resid 60 and name HB% )
2.800 2.800 3.200 peak 1031 spectrum 1 weight .10000E+01 volume .11139E-02 ppm1 3.300 ppm2 1.302 CV 1
ASSI { 1080}
(( segid "B " and resid 92 and name HB2 ))
(( segid "B " and resid 92 and name HB3 ))
2.300 .700 .700 peak 1080 spectrum 1 weight .10000E+01 volume .33967E-02 ppm1 2.766 ppm2 2.931 CV 1
ASSI { 1092}
(( segid "B " and resid 40 and name HB2 ))
(( segid "B " and resid 40 and name HA ))
2.500 .800 .800 peak 1092 spectrum 1 weight .10000E+01 volume .23353E-02 ppm1 3.008 ppm2 4.279 CV 1
OR { 1092}
(( segid "B " and resid 40 and name HB3 ))
(( segid "B " and resid 40 and name HA ))
ASSI { 1210}
( segid "B " and resid 14 and name HG2%)
( segid "B " and resid 13 and name HB% )
2.500 .800 .800 peak 1210 spectrum 1 weight .10000E+01 volume .24361E-02 ppm1 .283 ppm2 1.356 CV 1
ASSI { 1213}
( segid "B " and resid 14 and name HG2%)
( segid "B " and resid 17 and name HD1%)
2.000 2.000 4.000 peak 1213 spectrum 1 weight .10000E+01 volume .83156E-02 ppm1 .283 ppm2 .735 CV 1
ASSI { 1254}
( segid "B " and resid 24 and name HG2%)
( segid "B " and resid 24 and name HD1%)
1.900 .500 .500 peak 1254 spectrum 1 weight .10000E+01 volume .10665E-01 ppm1 1.112 ppm2 .751 CV 1
ASSI { 1255}
( segid "B " and resid 24 and name HG2%)
( segid "B " and resid 14 and name HG2%)
2.300 .700 .700 peak 1255 spectrum 1 weight .10000E+01 volume .38296E-02 ppm1 1.112 ppm2 .253 CV 1
ASSI { 1266}
( segid "B " and resid 60 and name HB% )
( segid "B " and resid 61 and name HB% )
2.400 2.400 3.600 peak 1266 spectrum 1 weight .10000E+01 volume .28953E-02 ppm1 1.329 ppm2 1.526 CV 1
ASSI { 1270}
( segid "B " and resid 41 and name HB% )
(( segid "B " and resid 42 and name HA ))
2.200 2.200 3.800 peak 1270 spectrum 1 weight .10000E+01 volume .57168E-02 ppm1 1.454 ppm2 4.043 CV 1
ASSI { 1271}
( segid "B " and resid 41 and name HB% )
(( segid "B " and resid 41 and name HA ))
2.000 .500 .500 peak 1271 spectrum 1 weight .10000E+01 volume .88856E-02 ppm1 1.454 ppm2 3.941 CV 1
ASSI { 1304}
( segid "B " and resid 26 and name HG2%)
( segid "B " and resid 54 and name HB% )
2.200 .600 .600 peak 1304 spectrum 1 weight .10000E+01 volume .47427E-02 ppm1 .643 ppm2 1.668 CV 1
ASSI { 1305}
( segid "B " and resid 26 and name HG2%)
(( segid "B " and resid 26 and name HB ))
2.300 .700 .700 peak 1305 spectrum 1 weight .10000E+01 volume .36381E-02 ppm1 .643 ppm2 1.547 CV 1
ASSI { 1332}
( segid "B " and resid 26 and name HG2%)
(( segid "B " and resid 40 and name HB3 ))
2.600 .800 .800 peak 1332 spectrum 1 weight .10000E+01 volume .18085E-02 ppm1 .643 ppm2 2.975 CV 1
OR { 1332}
( segid "B " and resid 26 and name HG2%)
(( segid "B " and resid 40 and name HB2 ))
ASSI { 1334}
( segid "B " and resid 26 and name HG2%)
(( segid "B " and resid 27 and name HA ))
2.600 .900 .900 peak 1334 spectrum 1 weight .10000E+01 volume .17890E-02 ppm1 .644 ppm2 3.853 CV 1
ASSI { 1336}
(( segid "B " and resid 43 and name HB2 ))
(( segid "B " and resid 43 and name HA ))
2.000 .500 .500 peak 1336 spectrum 1 weight .10000E+01 volume .93345E-02 ppm1 3.918 ppm2 4.211 CV 1
OR { 1336}
(( segid "B " and resid 43 and name HB3 ))
(( segid "B " and resid 43 and name HA ))
ASSI { 1341}
(( segid "B " and resid 52 and name HB2 ))
(( segid "B " and resid 48 and name HA ))
2.100 2.100 3.900 peak 1341 spectrum 1 weight .10000E+01 volume .59912E-02 ppm1 4.022 ppm2 3.907 CV 1
ASSI { 1535}
(( segid "B " and resid 10 and name HB2 ))
( segid "B " and resid 5 and name HD2%)
3.100 3.100 2.900 peak 1535 spectrum 1 weight .10000E+01 volume .64411E-03 ppm1 3.282 ppm2 .601 CV 1
ASSI { 1553}
(( segid "B " and resid 62 and name HB3 ))
( segid "B " and resid 13 and name HB% )
3.000 1.100 1.100 peak 1553 spectrum 1 weight .10000E+01 volume .80496E-03 ppm1 2.884 ppm2 1.359 CV 1
ASSI { 1558}
(( segid "B " and resid 62 and name HB3 ))
( segid "B " and resid 5 and name HD2%)
3.400 1.400 1.400 peak 1558 spectrum 1 weight .10000E+01 volume .39828E-03 ppm1 2.896 ppm2 .618 CV 1
ASSI { 1560}
(( segid "B " and resid 62 and name HB2 ))
( segid "B " and resid 5 and name HD2%)
3.200 1.300 1.300 peak 1560 spectrum 1 weight .10000E+01 volume .56210E-03 ppm1 2.710 ppm2 .615 CV 1
ASSI { 1564}
(( segid "B " and resid 14 and name HB ))
(( segid "B " and resid 17 and name HB3 ))
3.000 3.000 3.000 peak 1564 spectrum 1 weight .10000E+01 volume .83469E-03 ppm1 1.911 ppm2 1.506 CV 1
ASSI { 1596}
( segid "B " and resid 72 and name HB% )
(( segid "B " and resid 74 and name HA ))
2.300 2.300 3.700 peak 1596 spectrum 1 weight .10000E+01 volume .40540E-02 ppm1 1.189 ppm2 4.594 CV 1
ASSI { 1611}
( segid "B " and resid 72 and name HB% )
(( segid "B " and resid 73 and name HA ))
2.700 2.700 3.300 peak 1611 spectrum 1 weight .10000E+01 volume .13510E-02 ppm1 1.189 ppm2 5.006 CV 1
ASSI { 1635}
( segid "B " and resid 13 and name HB% )
(( segid "B " and resid 62 and name HB2 ))
2.400 .700 .700 peak 1635 spectrum 1 weight .10000E+01 volume .28639E-02 ppm1 1.383 ppm2 2.664 CV 1
ASSI { 1636}
( segid "B " and resid 13 and name HB% )
(( segid "B " and resid 10 and name HA ))
2.400 .700 .700 peak 1636 spectrum 1 weight .10000E+01 volume .28563E-02 ppm1 1.382 ppm2 3.726 CV 1
ASSI { 1637}
( segid "B " and resid 13 and name HB% )
(( segid "B " and resid 17 and name HG ))
2.200 2.200 3.800 peak 1637 spectrum 1 weight .10000E+01 volume .53890E-02 ppm1 1.395 ppm2 1.747 CV 1
ASSI { 1647}
(( segid "B " and resid 3 and name HB3 ))
(( segid "B " and resid 3 and name HD3 ))
2.500 .800 .800 peak 1647 spectrum 1 weight .10000E+01 volume .23184E-02 ppm1 1.205 ppm2 .752 CV 1
ASSI { 1649}
(( segid "B " and resid 3 and name HB2 ))
(( segid "B " and resid 3 and name HD3 ))
2.600 .800 .800 peak 1649 spectrum 1 weight .10000E+01 volume .19872E-02 ppm1 .935 ppm2 .754 CV 1
ASSI { 1657}
(( segid "B " and resid 46 and name HB2 ))
( segid "B " and resid 46 and name HD2%)
2.800 1.000 1.000 peak 1657 spectrum 1 weight .10000E+01 volume .12545E-02 ppm1 1.431 ppm2 .814 CV 1
ASSI { 1658}
(( segid "B " and resid 46 and name HB2 ))
( segid "B " and resid 46 and name HD1%)
2.800 1.000 1.000 peak 1658 spectrum 1 weight .10000E+01 volume .12172E-02 ppm1 1.431 ppm2 .716 CV 1
ASSI { 1661}
(( segid "B " and resid 46 and name HB3 ))
(( segid "B " and resid 46 and name HG ))
2.600 .800 .800 peak 1661 spectrum 1 weight .10000E+01 volume .19026E-02 ppm1 1.645 ppm2 1.508 CV 1
ASSI { 1662}
(( segid "B " and resid 46 and name HB2 ))
(( segid "B " and resid 46 and name HG ))
2.700 .900 .900 peak 1662 spectrum 1 weight .10000E+01 volume .15653E-02 ppm1 1.427 ppm2 1.507 CV 1
ASSI { 1666}
(( segid "B " and resid 46 and name HB3 ))
(( segid "B " and resid 26 and name HG12))
2.800 2.800 3.200 peak 1666 spectrum 1 weight .10000E+01 volume .10910E-02 ppm1 1.649 ppm2 .975 CV 1
ASSI { 1667}
(( segid "B " and resid 46 and name HB3 ))
( segid "B " and resid 46 and name HD2%)
2.700 .900 .900 peak 1667 spectrum 1 weight .10000E+01 volume .14772E-02 ppm1 1.648 ppm2 .813 CV 1
ASSI { 1668}
(( segid "B " and resid 46 and name HB3 ))
( segid "B " and resid 46 and name HD1%)
2.800 1.000 1.000 peak 1668 spectrum 1 weight .10000E+01 volume .12714E-02 ppm1 1.647 ppm2 .721 CV 1
ASSI { 1688}
( segid "B " and resid 41 and name HB% )
(( segid "B " and resid 48 and name HD3 ))
2.500 2.500 3.500 peak 1688 spectrum 1 weight .10000E+01 volume .24175E-02 ppm1 1.453 ppm2 3.184 CV 1
ASSI { 1689}
( segid "B " and resid 41 and name HB% )
(( segid "B " and resid 37 and name HB3 ))
2.400 2.400 3.600 peak 1689 spectrum 1 weight .10000E+01 volume .28418E-02 ppm1 1.454 ppm2 2.257 CV 1
ASSI { 1698}
( segid "B " and resid 93 and name HB% )
( segid "A " and resid 76 and name HB% )
2.300 2.300 3.700 peak 1698 spectrum 1 weight .10000E+01 volume .34120E-02 ppm1 1.778 ppm2 1.089 CV 1
ASSI { 1703}
( segid "B " and resid 61 and name HB% )
(( segid "B " and resid 61 and name HA ))
1.800 .400 .400 peak 1703 spectrum 1 weight .10000E+01 volume .15493E-01 ppm1 1.550 ppm2 4.139 CV 1
ASSI { 1732}
(( segid "B " and resid 53 and name HB2 ))
(( segid "B " and resid 53 and name HA ))
2.300 .700 .700 peak 1732 spectrum 1 weight .10000E+01 volume .35441E-02 ppm1 2.220 ppm2 4.142 CV 1
ASSI { 1733}
(( segid "B " and resid 53 and name HB2 ))
(( segid "B " and resid 53 and name HA ))
2.300 .700 .700 peak 1733 spectrum 1 weight .10000E+01 volume .38872E-02 ppm1 2.154 ppm2 4.141 CV 1
OR { 1733}
(( segid "B " and resid 53 and name HB3 ))
(( segid "B " and resid 53 and name HA ))
ASSI { 1743}
(( segid "B " and resid 15 and name HB2 ))
(( segid "B " and resid 14 and name HB ))
1.900 1.900 4.100 peak 1743 spectrum 1 weight .10000E+01 volume .12461E-01 ppm1 2.068 ppm2 1.888 CV 1
ASSI { 1755}
(( segid "B " and resid 18 and name HB3 ))
( segid "B " and resid 19 and name HG1%)
2.800 2.800 3.200 peak 1755 spectrum 1 weight .10000E+01 volume .11800E-02 ppm1 1.875 ppm2 .865 CV 1
ASSI { 1763}
(( segid "B " and resid 95 and name HD3 ))
(( segid "B " and resid 100 and name HE2 ))
1.900 1.900 4.100 peak 1763 spectrum 1 weight .10000E+01 volume .13214E-01 ppm1 1.740 ppm2 2.985 CV 1
ASSI { 1779}
(( segid "B " and resid 17 and name HB2 ))
(( segid "B " and resid 14 and name HA ))
2.800 1.000 1.000 peak 1779 spectrum 1 weight .10000E+01 volume .12249E-02 ppm1 1.586 ppm2 4.043 CV 1
ASSI { 1781}
(( segid "B " and resid 17 and name HB2 ))
(( segid "B " and resid 14 and name HB ))
3.000 1.100 1.100 peak 1781 spectrum 1 weight .10000E+01 volume .74220E-03 ppm1 1.588 ppm2 1.881 CV 1
ASSI { 1783}
(( segid "B " and resid 17 and name HB3 ))
( segid "B " and resid 19 and name HG1%)
2.700 2.700 3.300 peak 1783 spectrum 1 weight .10000E+01 volume .13536E-02 ppm1 1.516 ppm2 .865 CV 1
ASSI { 1815}
(( segid "B " and resid 74 and name HB ))
( segid "B " and resid 74 and name HG1%)
2.100 .500 .500 peak 1815 spectrum 1 weight .10000E+01 volume .72381E-02 ppm1 1.938 ppm2 .864 CV 1
ASSI { 1817}
(( segid "B " and resid 74 and name HB ))
(( segid "A " and resid 86 and name HB ))
2.600 2.600 3.400 peak 1817 spectrum 1 weight .10000E+01 volume .19211E-02 ppm1 1.938 ppm2 2.066 CV 1
ASSI { 35}
(( segid "A " and resid 14 and name HA ))
( segid "A " and resid 14 and name HG2%)
2.300 .700 .700 peak 35 spectrum 1 weight .10000E+01 volume .37126E-02 ppm1 4.073 ppm2 .253 CV 1
ASSI { 64}
(( segid "A " and resid 80 and name HA ))
( segid "A " and resid 83 and name HB% )
2.300 .700 .700 peak 64 spectrum 1 weight .10000E+01 volume .37601E-02 ppm1 3.699 ppm2 1.205 CV 1
ASSI { 79}
(( segid "A " and resid 56 and name HA ))
(( segid "A " and resid 56 and name HB2 ))
2.300 .600 .600 peak 79 spectrum 1 weight .10000E+01 volume .43276E-02 ppm1 4.378 ppm2 3.265 CV 1
ASSI { 93}
(( segid "A " and resid 47 and name HA ))
(( segid "A " and resid 47 and name HG1 ))
2.200 2.200 3.800 peak 93 spectrum 1 weight .10000E+01 volume .53873E-02 ppm1 4.420 ppm2 1.347 CV 1
ASSI { 94}
(( segid "A " and resid 6 and name HA ))
(( segid "A " and resid 6 and name HG1 ))
2.200 2.200 3.800 peak 94 spectrum 1 weight .10000E+01 volume .49485E-02 ppm1 4.507 ppm2 1.272 CV 1
ASSI { 104}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 40 and name HB2 ))
2.300 .600 .600 peak 104 spectrum 1 weight .10000E+01 volume .42616E-02 ppm1 4.303 ppm2 2.978 CV 1
ASSI { 105}
(( segid "A " and resid 79 and name HA ))
(( segid "A " and resid 79 and name HB3 ))
2.500 .800 .800 peak 105 spectrum 1 weight .10000E+01 volume .22913E-02 ppm1 4.213 ppm2 3.236 CV 1
ASSI { 107}
(( segid "A " and resid 75 and name HA ))
(( segid "A " and resid 75 and name HG1 ))
2.400 2.400 3.600 peak 107 spectrum 1 weight .10000E+01 volume .30757E-02 ppm1 5.526 ppm2 1.097 CV 1
ASSI { 147}
(( segid "A " and resid 32 and name HA ))
( segid "A " and resid 32 and name HG1%)
2.300 .700 .700 peak 147 spectrum 1 weight .10000E+01 volume .34925E-02 ppm1 4.719 ppm2 .814 CV 1
ASSI { 148}
(( segid "A " and resid 32 and name HA ))
( segid "A " and resid 32 and name HG2%)
2.400 .700 .700 peak 148 spectrum 1 weight .10000E+01 volume .26581E-02 ppm1 4.719 ppm2 .413 CV 1
ASSI { 162}
(( segid "A " and resid 30 and name HA ))
( segid "A " and resid 30 and name HG2%)
2.300 2.300 3.700 peak 162 spectrum 1 weight .10000E+01 volume .37830E-02 ppm1 4.417 ppm2 .982 CV 1
ASSI { 163}
(( segid "A " and resid 30 and name HA ))
( segid "A " and resid 30 and name HG1%)
2.300 .600 .600 peak 163 spectrum 1 weight .10000E+01 volume .40337E-02 ppm1 4.417 ppm2 .908 CV 1
ASSI { 166}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 42 and name HG1 ))
2.100 .600 .600 peak 166 spectrum 1 weight .10000E+01 volume .62242E-02 ppm1 4.071 ppm2 1.239 CV 1
ASSI { 181}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 23 and name HG1 ))
2.400 2.400 3.600 peak 181 spectrum 1 weight .10000E+01 volume .32501E-02 ppm1 3.804 ppm2 1.168 CV 1
ASSI { 183}
(( segid "A " and resid 55 and name HA ))
( segid "A " and resid 55 and name HG1%)
2.300 2.300 3.700 peak 183 spectrum 1 weight .10000E+01 volume .34746E-02 ppm1 3.377 ppm2 .988 CV 1
ASSI { 184}
(( segid "A " and resid 55 and name HA ))
( segid "A " and resid 55 and name HG2%)
2.400 .700 .700 peak 184 spectrum 1 weight .10000E+01 volume .32739E-02 ppm1 3.379 ppm2 .900 CV 1
ASSI { 188}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 23 and name HB ))
2.800 1.000 1.000 peak 188 spectrum 1 weight .10000E+01 volume .11876E-02 ppm1 3.804 ppm2 4.258 CV 1
ASSI { 193}
(( segid "A " and resid 24 and name HB ))
( segid "A " and resid 24 and name HD1%)
2.500 .800 .800 peak 193 spectrum 1 weight .10000E+01 volume .22879E-02 ppm1 2.138 ppm2 .752 CV 1
ASSI { 195}
(( segid "A " and resid 24 and name HB ))
(( segid "A " and resid 23 and name HA ))
2.600 2.600 3.400 peak 195 spectrum 1 weight .10000E+01 volume .18296E-02 ppm1 2.139 ppm2 3.936 CV 1
ASSI { 201}
(( segid "A " and resid 68 and name HD3 ))
(( segid "A " and resid 68 and name HA ))
2.600 2.600 3.400 peak 201 spectrum 1 weight .10000E+01 volume .17992E-02 ppm1 3.990 ppm2 4.428 CV 1
ASSI { 202}
(( segid "A " and resid 68 and name HD2 ))
(( segid "A " and resid 68 and name HA ))
2.600 2.600 3.400 peak 202 spectrum 1 weight .10000E+01 volume .18254E-02 ppm1 3.547 ppm2 4.431 CV 1
ASSI { 204}
(( segid "A " and resid 72 and name HA ))
( segid "A " and resid 72 and name HB% )
2.200 .600 .600 peak 204 spectrum 1 weight .10000E+01 volume .52738E-02 ppm1 4.625 ppm2 1.163 CV 1
ASSI { 206}
(( segid "A " and resid 66 and name HA ))
(( segid "A " and resid 66 and name HB3 ))
2.400 .700 .700 peak 206 spectrum 1 weight .10000E+01 volume .31595E-02 ppm1 4.549 ppm2 2.401 CV 1
ASSI { 207}
(( segid "A " and resid 66 and name HA ))
(( segid "A " and resid 66 and name HB2 ))
2.400 .700 .700 peak 207 spectrum 1 weight .10000E+01 volume .32570E-02 ppm1 4.549 ppm2 1.992 CV 1
ASSI { 210}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 4 and name HB3 ))
2.700 .900 .900 peak 210 spectrum 1 weight .10000E+01 volume .13155E-02 ppm1 5.044 ppm2 1.843 CV 1
ASSI { 211}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 4 and name HG3 ))
2.700 .900 .900 peak 211 spectrum 1 weight .10000E+01 volume .14349E-02 ppm1 5.042 ppm2 1.609 CV 1
ASSI { 212}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 4 and name HG2 ))
3.000 1.100 1.100 peak 212 spectrum 1 weight .10000E+01 volume .84070E-03 ppm1 5.038 ppm2 1.396 CV 1
ASSI { 214}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 4 and name HD3 ))
2.700 2.700 3.300 peak 214 spectrum 1 weight .10000E+01 volume .15070E-02 ppm1 5.045 ppm2 3.304 CV 1
ASSI { 215}
(( segid "A " and resid 4 and name HA ))
(( segid "A " and resid 4 and name HD2 ))
2.900 2.900 3.100 peak 215 spectrum 1 weight .10000E+01 volume .95972E-03 ppm1 5.045 ppm2 3.180 CV 1
ASSI { 228}
(( segid "A " and resid 17 and name HA ))
(( segid "A " and resid 18 and name HB3 ))
2.500 2.500 3.500 peak 228 spectrum 1 weight .10000E+01 volume .23997E-02 ppm1 4.356 ppm2 1.904 CV 1
ASSI { 231}
(( segid "A " and resid 17 and name HA ))
( segid "A " and resid 17 and name HD2%)
2.200 .600 .600 peak 231 spectrum 1 weight .10000E+01 volume .48545E-02 ppm1 4.347 ppm2 .785 CV 1
ASSI { 232}
(( segid "A " and resid 17 and name HA ))
( segid "A " and resid 17 and name HD1%)
2.300 .600 .600 peak 232 spectrum 1 weight .10000E+01 volume .43514E-02 ppm1 4.347 ppm2 .721 CV 1
ASSI { 251}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 33 and name HB2 ))
2.500 .800 .800 peak 251 spectrum 1 weight .10000E+01 volume .21540E-02 ppm1 4.623 ppm2 3.302 CV 1
ASSI { 252}
(( segid "A " and resid 33 and name HA ))
(( segid "A " and resid 33 and name HB3 ))
2.400 .700 .700 peak 252 spectrum 1 weight .10000E+01 volume .28630E-02 ppm1 4.623 ppm2 2.774 CV 1
ASSI { 264}
( segid "A " and resid 83 and name HB% )
(( segid "A " and resid 83 and name HA ))
2.100 .500 .500 peak 264 spectrum 1 weight .10000E+01 volume .69662E-02 ppm1 1.242 ppm2 3.690 CV 1
ASSI { 268}
(( segid "A " and resid 33 and name HA ))
( segid "A " and resid 32 and name HG1%)
2.800 1.000 1.000 peak 268 spectrum 1 weight .10000E+01 volume .11173E-02 ppm1 4.620 ppm2 .814 CV 1
ASSI { 270}
(( segid "A " and resid 33 and name HB2 ))
(( segid "A " and resid 33 and name HB3 ))
2.400 .700 .700 peak 270 spectrum 1 weight .10000E+01 volume .26590E-02 ppm1 3.329 ppm2 2.776 CV 1
ASSI { 286}
(( segid "A " and resid 75 and name HB ))
(( segid "A " and resid 75 and name HG1 ))
2.000 2.000 4.000 peak 286 spectrum 1 weight .10000E+01 volume .83316E-02 ppm1 3.906 ppm2 1.099 CV 1
ASSI { 289}
(( segid "A " and resid 6 and name HB ))
(( segid "A " and resid 6 and name HA ))
2.600 .800 .800 peak 289 spectrum 1 weight .10000E+01 volume .20448E-02 ppm1 4.748 ppm2 4.481 CV 1
ASSI { 290}
(( segid "A " and resid 47 and name HB ))
(( segid "A " and resid 47 and name HA ))
2.400 .700 .700 peak 290 spectrum 1 weight .10000E+01 volume .30265E-02 ppm1 4.682 ppm2 4.390 CV 1
ASSI { 291}
(( segid "A " and resid 47 and name HB ))
(( segid "A " and resid 47 and name HG1 ))
2.200 .600 .600 peak 291 spectrum 1 weight .10000E+01 volume .53610E-02 ppm1 4.682 ppm2 1.347 CV 1
ASSI { 292}
(( segid "A " and resid 6 and name HB ))
(( segid "A " and resid 6 and name HG1 ))
2.200 .600 .600 peak 292 spectrum 1 weight .10000E+01 volume .49518E-02 ppm1 4.751 ppm2 1.273 CV 1
ASSI { 297}
(( segid "A " and resid 75 and name HB ))
(( segid "A " and resid 75 and name HA ))
2.400 .700 .700 peak 297 spectrum 1 weight .10000E+01 volume .29359E-02 ppm1 3.906 ppm2 5.498 CV 1
ASSI { 310}
(( segid "A " and resid 19 and name HA ))
(( segid "A " and resid 19 and name HB ))
2.300 .700 .700 peak 310 spectrum 1 weight .10000E+01 volume .37592E-02 ppm1 4.604 ppm2 2.154 CV 1
ASSI { 311}
(( segid "A " and resid 19 and name HA ))
( segid "A " and resid 19 and name HG1%)
2.100 .600 .600 peak 311 spectrum 1 weight .10000E+01 volume .64554E-02 ppm1 4.606 ppm2 .868 CV 1
ASSI { 312}
(( segid "A " and resid 19 and name HA ))
( segid "A " and resid 19 and name HG2%)
2.400 .700 .700 peak 312 spectrum 1 weight .10000E+01 volume .27631E-02 ppm1 4.604 ppm2 .779 CV 1
ASSI { 316}
(( segid "A " and resid 19 and name HB ))
( segid "A " and resid 19 and name HG1%)
2.200 .600 .600 peak 316 spectrum 1 weight .10000E+01 volume .44429E-02 ppm1 2.184 ppm2 .866 CV 1
ASSI { 323}
(( segid "A " and resid 42 and name HB ))
(( segid "A " and resid 42 and name HG1 ))
1.900 1.900 4.100 peak 323 spectrum 1 weight .10000E+01 volume .12698E-01 ppm1 4.186 ppm2 1.239 CV 1
ASSI { 330}
(( segid "A " and resid 39 and name HB ))
(( segid "A " and resid 39 and name HG1 ))
2.100 .500 .500 peak 330 spectrum 1 weight .10000E+01 volume .70754E-02 ppm1 3.910 ppm2 .970 CV 1
ASSI { 332}
(( segid "A " and resid 23 and name HB ))
(( segid "A " and resid 23 and name HG1 ))
2.200 .600 .600 peak 332 spectrum 1 weight .10000E+01 volume .49518E-02 ppm1 4.285 ppm2 1.169 CV 1
ASSI { 337}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 11 and name HB3 ))
2.500 .800 .800 peak 337 spectrum 1 weight .10000E+01 volume .25140E-02 ppm1 3.807 ppm2 2.164 CV 1
ASSI { 339}
(( segid "A " and resid 11 and name HA ))
(( segid "A " and resid 11 and name HG2 ))
2.700 .900 .900 peak 339 spectrum 1 weight .10000E+01 volume .14028E-02 ppm1 3.804 ppm2 2.621 CV 1
ASSI { 343}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 48 and name HD3 ))
2.800 2.800 3.200 peak 343 spectrum 1 weight .10000E+01 volume .12892E-02 ppm1 3.895 ppm2 3.176 CV 1
ASSI { 345}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 48 and name HB3 ))
2.200 .600 .600 peak 345 spectrum 1 weight .10000E+01 volume .49087E-02 ppm1 3.896 ppm2 1.859 CV 1
OR { 345}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 48 and name HB2 ))
ASSI { 346}
(( segid "A " and resid 48 and name HA ))
(( segid "A " and resid 48 and name HG2 ))
2.800 1.000 1.000 peak 346 spectrum 1 weight .10000E+01 volume .12223E-02 ppm1 3.897 ppm2 1.607 CV 1
ASSI { 380}
(( segid "A " and resid 73 and name HA ))
( segid "A " and resid 74 and name HG1%)
2.500 2.500 3.500 peak 380 spectrum 1 weight .10000E+01 volume .21227E-02 ppm1 5.022 ppm2 .879 CV 1
ASSI { 389}
(( segid "A " and resid 61 and name HA ))
(( segid "A " and resid 62 and name HB2 ))
2.500 2.500 3.500 peak 389 spectrum 1 weight .10000E+01 volume .22684E-02 ppm1 4.142 ppm2 2.610 CV 1
ASSI { 391}
(( segid "A " and resid 68 and name HD2 ))
(( segid "A " and resid 68 and name HD3 ))
2.400 .700 .700 peak 391 spectrum 1 weight .10000E+01 volume .30723E-02 ppm1 3.544 ppm2 3.962 CV 1
ASSI { 393}
(( segid "A " and resid 68 and name HD2 ))
(( segid "A " and resid 68 and name HB3 ))
2.700 2.700 3.300 peak 393 spectrum 1 weight .10000E+01 volume .15433E-02 ppm1 3.543 ppm2 2.128 CV 1
ASSI { 394}
(( segid "A " and resid 68 and name HD2 ))
(( segid "A " and resid 68 and name HB2 ))
2.700 .900 .900 peak 394 spectrum 1 weight .10000E+01 volume .15137E-02 ppm1 3.547 ppm2 2.059 CV 1
ASSI { 395}
(( segid "A " and resid 68 and name HD2 ))
(( segid "A " and resid 68 and name HG3 ))
2.900 1.000 1.000 peak 395 spectrum 1 weight .10000E+01 volume .95633E-03 ppm1 3.545 ppm2 1.596 CV 1
ASSI { 396}
(( segid "A " and resid 68 and name HD2 ))
(( segid "A " and resid 68 and name HG2 ))
2.700 .900 .900 peak 396 spectrum 1 weight .10000E+01 volume .14045E-02 ppm1 3.548 ppm2 1.408 CV 1
ASSI { 403}
(( segid "A " and resid 68 and name HD3 ))
(( segid "A " and resid 68 and name HG2 ))
2.800 1.000 1.000 peak 403 spectrum 1 weight .10000E+01 volume .11859E-02 ppm1 3.991 ppm2 1.408 CV 1
ASSI { 405}
(( segid "A " and resid 76 and name HA ))
( segid "A " and resid 76 and name HB% )
2.200 .600 .600 peak 405 spectrum 1 weight .10000E+01 volume .52112E-02 ppm1 4.900 ppm2 1.077 CV 1
ASSI { 409}
(( segid "A " and resid 78 and name HA ))
( segid "A " and resid 76 and name HB% )
2.700 2.700 3.300 peak 409 spectrum 1 weight .10000E+01 volume .13892E-02 ppm1 5.041 ppm2 1.093 CV 1
ASSI { 418}
(( segid "A " and resid 46 and name HA ))
(( segid "A " and resid 46 and name HG ))
2.600 .800 .800 peak 418 spectrum 1 weight .10000E+01 volume .20381E-02 ppm1 4.790 ppm2 1.506 CV 1
ASSI { 420}
(( segid "A " and resid 46 and name HA ))
( segid "A " and resid 46 and name HD2%)
2.200 2.200 3.800 peak 420 spectrum 1 weight .10000E+01 volume .47537E-02 ppm1 4.787 ppm2 .813 CV 1
ASSI { 424}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 70 and name HA1 ))
2.800 2.800 3.200 peak 424 spectrum 1 weight .10000E+01 volume .12689E-02 ppm1 5.036 ppm2 3.950 CV 1
ASSI { 432}
(( segid "A " and resid 10 and name HB2 ))
(( segid "A " and resid 10 and name HA ))
2.900 1.100 1.100 peak 432 spectrum 1 weight .10000E+01 volume .91990E-03 ppm1 3.282 ppm2 3.721 CV 1
ASSI { 439}
(( segid "A " and resid 10 and name HA ))
(( segid "A " and resid 10 and name HB3 ))
2.700 .900 .900 peak 439 spectrum 1 weight .10000E+01 volume .13570E-02 ppm1 3.745 ppm2 2.744 CV 1
ASSI { 445}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 14 and name HG12))
2.800 1.000 1.000 peak 445 spectrum 1 weight .10000E+01 volume .10665E-02 ppm1 4.071 ppm2 1.170 CV 1
ASSI { 446}
(( segid "A " and resid 14 and name HA ))
(( segid "A " and resid 14 and name HG13))
2.900 1.000 1.000 peak 446 spectrum 1 weight .10000E+01 volume .96819E-03 ppm1 4.072 ppm2 1.042 CV 1
ASSI { 448}
(( segid "A " and resid 14 and name HA ))
( segid "A " and resid 14 and name HD1%)
2.400 2.400 3.600 peak 448 spectrum 1 weight .10000E+01 volume .29385E-02 ppm1 4.072 ppm2 .719 CV 1
ASSI { 449}
(( segid "A " and resid 32 and name HA ))
(( segid "A " and resid 32 and name HB ))
2.800 1.000 1.000 peak 449 spectrum 1 weight .10000E+01 volume .11215E-02 ppm1 4.724 ppm2 2.058 CV 1
ASSI { 453}
(( segid "A " and resid 24 and name HA ))
(( segid "A " and resid 24 and name HB ))
2.800 1.000 1.000 peak 453 spectrum 1 weight .10000E+01 volume .11833E-02 ppm1 3.579 ppm2 2.111 CV 1
ASSI { 454}
(( segid "A " and resid 24 and name HA ))
(( segid "A " and resid 24 and name HG12))
2.500 .800 .800 peak 454 spectrum 1 weight .10000E+01 volume .22388E-02 ppm1 3.575 ppm2 1.626 CV 1
OR { 454}
(( segid "A " and resid 24 and name HA ))
(( segid "A " and resid 24 and name HG13))
ASSI { 455}
(( segid "A " and resid 24 and name HA ))
(( segid "A " and resid 23 and name HG1 ))
2.900 2.900 3.100 peak 455 spectrum 1 weight .10000E+01 volume .10520E-02 ppm1 3.576 ppm2 1.160 CV 1
ASSI { 457}
(( segid "A " and resid 24 and name HA ))
( segid "A " and resid 24 and name HD1%)
2.500 2.500 3.500 peak 457 spectrum 1 weight .10000E+01 volume .26005E-02 ppm1 3.575 ppm2 .756 CV 1
ASSI { 461}
(( segid "A " and resid 37 and name HG2 ))
(( segid "A " and resid 37 and name HA ))
2.800 1.000 1.000 peak 461 spectrum 1 weight .10000E+01 volume .11156E-02 ppm1 2.717 ppm2 3.849 CV 1
ASSI { 472}
(( segid "A " and resid 85 and name HA ))
(( segid "A " and resid 86 and name HB ))
2.800 2.800 3.200 peak 472 spectrum 1 weight .10000E+01 volume .12595E-02 ppm1 3.240 ppm2 1.970 CV 1
ASSI { 473}
(( segid "A " and resid 85 and name HA ))
( segid "A " and resid 86 and name HG2%)
2.600 2.600 3.400 peak 473 spectrum 1 weight .10000E+01 volume .16881E-02 ppm1 3.242 ppm2 1.651 CV 1
ASSI { 474}
(( segid "A " and resid 85 and name HA ))
( segid "A " and resid 86 and name HG1%)
2.700 2.700 3.300 peak 474 spectrum 1 weight .10000E+01 volume .14375E-02 ppm1 3.245 ppm2 .951 CV 1
ASSI { 475}
(( segid "A " and resid 85 and name HA ))
( segid "A " and resid 85 and name HD1%)
2.700 2.700 3.300 peak 475 spectrum 1 weight .10000E+01 volume .14841E-02 ppm1 3.247 ppm2 .741 CV 1
ASSI { 476}
(( segid "A " and resid 85 and name HA ))
( segid "A " and resid 85 and name HG2%)
2.500 .800 .800 peak 476 spectrum 1 weight .10000E+01 volume .21007E-02 ppm1 3.242 ppm2 -.090 CV 1
ASSI { 495}
(( segid "A " and resid 7 and name HA ))
(( segid "A " and resid 7 and name HG2 ))
2.700 .900 .900 peak 495 spectrum 1 weight .10000E+01 volume .14848E-02 ppm1 4.049 ppm2 2.263 CV 1
ASSI { 511}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 15 and name HG2 ))
2.300 .700 .700 peak 511 spectrum 1 weight .10000E+01 volume .37050E-02 ppm1 4.026 ppm2 2.457 CV 1
ASSI { 513}
(( segid "A " and resid 15 and name HA ))
( segid "A " and resid 14 and name HG2%)
3.000 3.000 3.000 peak 513 spectrum 1 weight .10000E+01 volume .71272E-03 ppm1 4.025 ppm2 .251 CV 1
ASSI { 515}
(( segid "A " and resid 15 and name HA ))
(( segid "A " and resid 14 and name HG13))
3.000 1.100 1.100 peak 515 spectrum 1 weight .10000E+01 volume .75558E-03 ppm1 4.028 ppm2 1.033 CV 1
ASSI { 517}
(( segid "A " and resid 16 and name HA1 ))
(( segid "A " and resid 16 and name HA2 ))
2.200 .600 .600 peak 517 spectrum 1 weight .10000E+01 volume .50713E-02 ppm1 3.812 ppm2 4.007 CV 1
ASSI { 525}
(( segid "A " and resid 20 and name HA2 ))
(( segid "A " and resid 20 and name HA1 ))
2.200 .600 .600 peak 525 spectrum 1 weight .10000E+01 volume .49417E-02 ppm1 4.224 ppm2 4.018 CV 1
ASSI { 547}
(( segid "A " and resid 23 and name HA ))
(( segid "A " and resid 22 and name HA ))
3.000 3.000 3.000 peak 547 spectrum 1 weight .10000E+01 volume .82444E-03 ppm1 3.806 ppm2 4.165 CV 1
ASSI { 549}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 51 and name HB ))
2.800 1.000 1.000 peak 549 spectrum 1 weight .10000E+01 volume .11808E-02 ppm1 3.632 ppm2 2.257 CV 1
ASSI { 552}
(( segid "A " and resid 51 and name HA ))
( segid "A " and resid 50 and name HB% )
3.000 1.100 1.100 peak 552 spectrum 1 weight .10000E+01 volume .77209E-03 ppm1 3.631 ppm2 1.530 CV 1
ASSI { 558}
(( segid "A " and resid 26 and name HA ))
(( segid "A " and resid 26 and name HB ))
2.800 1.000 1.000 peak 558 spectrum 1 weight .10000E+01 volume .12037E-02 ppm1 2.732 ppm2 1.540 CV 1
ASSI { 586}
(( segid "A " and resid 29 and name HA1 ))
(( segid "A " and resid 29 and name HA2 ))
2.600 .800 .800 peak 586 spectrum 1 weight .10000E+01 volume .19889E-02 ppm1 3.837 ppm2 3.985 CV 1
ASSI { 603}
(( segid "A " and resid 36 and name HA ))
(( segid "A " and resid 37 and name HB2 ))
2.700 2.700 3.300 peak 603 spectrum 1 weight .10000E+01 volume .13443E-02 ppm1 3.977 ppm2 1.973 CV 1
ASSI { 635}
(( segid "A " and resid 55 and name HA ))
( segid "A " and resid 58 and name HG2%)
2.900 2.900 3.100 peak 635 spectrum 1 weight .10000E+01 volume .99699E-03 ppm1 3.378 ppm2 .617 CV 1
ASSI { 639}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 57 and name HB3 ))
2.400 .700 .700 peak 639 spectrum 1 weight .10000E+01 volume .30054E-02 ppm1 4.089 ppm2 2.066 CV 1
ASSI { 640}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 58 and name HB ))
2.500 2.500 3.500 peak 640 spectrum 1 weight .10000E+01 volume .23886E-02 ppm1 4.091 ppm2 1.920 CV 1
ASSI { 643}
(( segid "A " and resid 57 and name HA ))
(( segid "A " and resid 57 and name HG2 ))
2.500 2.500 3.500 peak 643 spectrum 1 weight .10000E+01 volume .22311E-02 ppm1 4.091 ppm2 1.301 CV 1
ASSI { 644}
(( segid "A " and resid 58 and name HA ))
(( segid "A " and resid 57 and name HB2 ))
2.800 2.800 3.200 peak 644 spectrum 1 weight .10000E+01 volume .11935E-02 ppm1 3.547 ppm2 1.921 CV 1
ASSI { 647}
(( segid "A " and resid 62 and name HA ))
(( segid "A " and resid 62 and name HB3 ))
2.700 .900 .900 peak 647 spectrum 1 weight .10000E+01 volume .13273E-02 ppm1 3.973 ppm2 2.857 CV 1
ASSI { 648}
(( segid "A " and resid 62 and name HA ))
(( segid "A " and resid 62 and name HB2 ))
2.700 .900 .900 peak 648 spectrum 1 weight .10000E+01 volume .15306E-02 ppm1 3.969 ppm2 2.667 CV 1
ASSI { 658}
(( segid "A " and resid 63 and name HA ))
(( segid "A " and resid 63 and name HB3 ))
2.300 .700 .700 peak 658 spectrum 1 weight .10000E+01 volume .36813E-02 ppm1 3.387 ppm2 1.778 CV 1
ASSI { 659}
(( segid "A " and resid 63 and name HA ))
(( segid "A " and resid 63 and name HB2 ))
2.500 .800 .800 peak 659 spectrum 1 weight .10000E+01 volume .23099E-02 ppm1 3.387 ppm2 1.708 CV 1
ASSI { 661}
(( segid "A " and resid 64 and name HA ))
(( segid "A " and resid 64 and name HB2 ))
2.300 .600 .600 peak 661 spectrum 1 weight .10000E+01 volume .42286E-02 ppm1 4.351 ppm2 2.597 CV 1
ASSI { 674}
(( segid "A " and resid 69 and name HA ))
(( segid "A " and resid 69 and name HG3 ))
2.400 .700 .700 peak 674 spectrum 1 weight .10000E+01 volume .33248E-02 ppm1 4.119 ppm2 2.312 CV 1
ASSI { 675}
(( segid "A " and resid 69 and name HA ))
(( segid "A " and resid 69 and name HB2 ))
2.200 .600 .600 peak 675 spectrum 1 weight .10000E+01 volume .56100E-02 ppm1 4.119 ppm2 1.985 CV 1
ASSI { 676}
(( segid "A " and resid 71 and name HA ))
(( segid "A " and resid 71 and name HB2 ))
3.000 1.100 1.100 peak 676 spectrum 1 weight .10000E+01 volume .77345E-03 ppm1 5.033 ppm2 3.023 CV 1
ASSI { 688}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 78 and name HA ))
2.800 2.800 3.200 peak 688 spectrum 1 weight .10000E+01 volume .12206E-02 ppm1 4.695 ppm2 5.001 CV 1
ASSI { 689}
(( segid "A " and resid 77 and name HA ))
(( segid "A " and resid 77 and name HB ))
2.900 1.100 1.100 peak 689 spectrum 1 weight .10000E+01 volume .86400E-03 ppm1 4.689 ppm2 2.026 CV 1
ASSI { 690}
(( segid "A " and resid 77 and name HA ))
( segid "A " and resid 77 and name HG1%)
2.300 .700 .700 peak 690 spectrum 1 weight .10000E+01 volume .36686E-02 ppm1 4.693 ppm2 .879 CV 1
ASSI { 691}
(( segid "A " and resid 77 and name HA ))
( segid "A " and resid 76 and name HB% )
3.000 1.200 1.200 peak 691 spectrum 1 weight .10000E+01 volume .71559E-03 ppm1 4.696 ppm2 1.098 CV 1
ASSI { 717}
(( segid "A " and resid 82 and name HA ))
( segid "A " and resid 85 and name HG2%)
3.200 3.200 2.800 peak 717 spectrum 1 weight .10000E+01 volume .57024E-03 ppm1 3.675 ppm2 -.097 CV 1
ASSI { 720}
(( segid "A " and resid 84 and name HA ))
(( segid "A " and resid 85 and name HA ))
3.000 3.000 3.000 peak 720 spectrum 1 weight .10000E+01 volume .81242E-03 ppm1 4.051 ppm2 3.213 CV 1
ASSI { 721}
(( segid "A " and resid 84 and name HA ))
(( segid "A " and resid 84 and name HB2 ))
2.500 .800 .800 peak 721 spectrum 1 weight .10000E+01 volume .25200E-02 ppm1 4.045 ppm2 3.061 CV 1
ASSI { 722}
(( segid "A " and resid 84 and name HA ))
(( segid "A " and resid 84 and name HB3 ))
2.500 .800 .800 peak 722 spectrum 1 weight .10000E+01 volume .22481E-02 ppm1 4.046 ppm2 2.989 CV 1
ASSI { 726}
(( segid "A " and resid 86 and name HA ))
(( segid "A " and resid 86 and name HB ))
3.000 1.100 1.100 peak 726 spectrum 1 weight .10000E+01 volume .84604E-03 ppm1 3.260 ppm2 2.065 CV 1
ASSI { 728}
(( segid "A " and resid 86 and name HA ))
( segid "A " and resid 85 and name HG2%)
3.100 1.200 1.200 peak 728 spectrum 1 weight .10000E+01 volume .61903E-03 ppm1 3.261 ppm2 -.101 CV 1
ASSI { 766}
(( segid "A " and resid 96 and name HA ))
(( segid "A " and resid 96 and name HB2 ))
1.900 1.900 4.100 peak 766 spectrum 1 weight .10000E+01 volume .12664E-01 ppm1 4.233 ppm2 1.928 CV 1
ASSI { 769}
(( segid "A " and resid 96 and name HA ))
(( segid "A " and resid 95 and name HE2 ))
2.700 2.700 3.300 peak 769 spectrum 1 weight .10000E+01 volume .13104E-02 ppm1 4.232 ppm2 2.999 CV 1
ASSI { 773}
(( segid "A " and resid 97 and name HA ))
(( segid "A " and resid 96 and name HB2 ))
2.400 2.400 3.600 peak 773 spectrum 1 weight .10000E+01 volume .31002E-02 ppm1 4.248 ppm2 1.928 CV 1
ASSI { 774}
(( segid "A " and resid 97 and name HA ))
(( segid "A " and resid 97 and name HG2 ))
2.300 .700 .700 peak 774 spectrum 1 weight .10000E+01 volume .35805E-02 ppm1 4.250 ppm2 2.349 CV 1
ASSI { 776}
(( segid "A " and resid 97 and name HA ))
(( segid "A " and resid 97 and name HB3 ))
2.100 .500 .500 peak 776 spectrum 1 weight .10000E+01 volume .68205E-02 ppm1 4.250 ppm2 2.118 CV 1
ASSI { 778}
(( segid "A " and resid 2 and name HA ))
(( segid "A " and resid 2 and name HB2 ))
1.900 1.900 4.100 peak 778 spectrum 1 weight .10000E+01 volume .10436E-01 ppm1 4.248 ppm2 1.693 CV 1
ASSI { 780}
(( segid "A " and resid 98 and name HA ))
(( segid "A " and resid 98 and name HG2 ))
2.400 .700 .700 peak 780 spectrum 1 weight .10000E+01 volume .28630E-02 ppm1 4.321 ppm2 2.362 CV 1
ASSI { 781}
(( segid "A " and resid 98 and name HA ))
(( segid "A " and resid 98 and name HG3 ))
2.200 .600 .600 peak 781 spectrum 1 weight .10000E+01 volume .48706E-02 ppm1 4.321 ppm2 2.259 CV 1
ASSI { 782}
(( segid "A " and resid 98 and name HA ))
(( segid "A " and resid 98 and name HB3 ))
2.100 2.100 3.900 peak 782 spectrum 1 weight .10000E+01 volume .71932E-02 ppm1 4.321 ppm2 2.082 CV 1
ASSI { 799}
(( segid "A " and resid 28 and name HG2 ))
(( segid "A " and resid 28 and name HA ))
2.800 1.000 1.000 peak 799 spectrum 1 weight .10000E+01 volume .11046E-02 ppm1 .591 ppm2 2.887 CV 1
ASSI { 801}
(( segid "A " and resid 28 and name HG2 ))
(( segid "A " and resid 28 and name HD3 ))
2.900 1.000 1.000 peak 801 spectrum 1 weight .10000E+01 volume .97581E-03 ppm1 .591 ppm2 3.103 CV 1
ASSI { 811}
(( segid "A " and resid 28 and name HG2 ))
(( segid "A " and resid 28 and name HB3 ))
2.900 1.100 1.100 peak 811 spectrum 1 weight .10000E+01 volume .90382E-03 ppm1 .586 ppm2 1.506 CV 1
ASSI { 827}
(( segid "A " and resid 4 and name HG2 ))
(( segid "A " and resid 4 and name HB3 ))
2.600 .900 .900 peak 827 spectrum 1 weight .10000E+01 volume .17822E-02 ppm1 1.426 ppm2 1.846 CV 1
ASSI { 828}
(( segid "A " and resid 4 and name HG2 ))
(( segid "A " and resid 4 and name HG3 ))
2.100 .500 .500 peak 828 spectrum 1 weight .10000E+01 volume .74481E-02 ppm1 1.427 ppm2 1.629 CV 1
ASSI { 831}
(( segid "A " and resid 4 and name HG2 ))
(( segid "A " and resid 4 and name HD3 ))
2.700 .900 .900 peak 831 spectrum 1 weight .10000E+01 volume .15120E-02 ppm1 1.428 ppm2 3.303 CV 1
ASSI { 832}
(( segid "A " and resid 4 and name HG2 ))
(( segid "A " and resid 4 and name HD2 ))
2.500 .800 .800 peak 832 spectrum 1 weight .10000E+01 volume .21397E-02 ppm1 1.426 ppm2 3.177 CV 1
ASSI { 834}
(( segid "A " and resid 4 and name HG3 ))
(( segid "A " and resid 4 and name HD3 ))
2.600 .800 .800 peak 834 spectrum 1 weight .10000E+01 volume .20144E-02 ppm1 1.664 ppm2 3.303 CV 1
ASSI { 835}
(( segid "A " and resid 4 and name HG3 ))
(( segid "A " and resid 4 and name HD2 ))
2.400 .800 .800 peak 835 spectrum 1 weight .10000E+01 volume .26165E-02 ppm1 1.663 ppm2 3.178 CV 1
ASSI { 837}
(( segid "A " and resid 4 and name HG3 ))
(( segid "A " and resid 4 and name HB3 ))
2.400 .700 .700 peak 837 spectrum 1 weight .10000E+01 volume .31273E-02 ppm1 1.664 ppm2 1.840 CV 1
ASSI { 845}
(( segid "A " and resid 51 and name HB ))
( segid "A " and resid 51 and name HG2%)
2.300 .600 .600 peak 845 spectrum 1 weight .10000E+01 volume .40583E-02 ppm1 2.286 ppm2 .981 CV 1
OR { 845}
(( segid "A " and resid 51 and name HB ))
( segid "A " and resid 51 and name HG1%)
ASSI { 866}
(( segid "A " and resid 2 and name HG2 ))
(( segid "A " and resid 2 and name HE2 ))
2.800 .900 .900 peak 866 spectrum 1 weight .10000E+01 volume .12985E-02 ppm1 1.340 ppm2 2.926 CV 1
ASSI { 869}
( segid "A " and resid 32 and name HG2%)
( segid "A " and resid 32 and name HG1%)
2.100 .500 .500 peak 869 spectrum 1 weight .10000E+01 volume .71365E-02 ppm1 .440 ppm2 .811 CV 1
ASSI { 870}
( segid "A " and resid 32 and name HG2%)
(( segid "A " and resid 32 and name HB ))
2.300 .700 .700 peak 870 spectrum 1 weight .10000E+01 volume .36466E-02 ppm1 .439 ppm2 2.060 CV 1
ASSI { 877}
( segid "A " and resid 58 and name HG2%)
(( segid "A " and resid 57 and name HG2 ))
2.300 2.300 3.700 peak 877 spectrum 1 weight .10000E+01 volume .38058E-02 ppm1 .659 ppm2 1.177 CV 1
ASSI { 880}
( segid "A " and resid 58 and name HG2%)
(( segid "A " and resid 58 and name HB ))
2.200 .600 .600 peak 880 spectrum 1 weight .10000E+01 volume .50815E-02 ppm1 .658 ppm2 1.921 CV 1
ASSI { 882}
( segid "A " and resid 58 and name HG2%)
(( segid "A " and resid 58 and name HA ))
2.400 .700 .700 peak 882 spectrum 1 weight .10000E+01 volume .33518E-02 ppm1 .659 ppm2 3.522 CV 1
ASSI { 890}
(( segid "A " and resid 39 and name HG1 ))
(( segid "A " and resid 39 and name HA ))
1.900 1.900 4.100 peak 890 spectrum 1 weight .10000E+01 volume .11088E-01 ppm1 .997 ppm2 3.882 CV 1
ASSI { 921}
(( segid "A " and resid 3 and name HG2 ))
(( segid "A " and resid 3 and name HB2 ))
2.600 .800 .800 peak 921 spectrum 1 weight .10000E+01 volume .18204E-02 ppm1 .384 ppm2 .923 CV 1
ASSI { 923}
(( segid "A " and resid 3 and name HG2 ))
(( segid "A " and resid 3 and name HD3 ))
2.300 .700 .700 peak 923 spectrum 1 weight .10000E+01 volume .36135E-02 ppm1 .385 ppm2 .748 CV 1
ASSI { 944}
( segid "A " and resid 5 and name HD1%)
( segid "A " and resid 5 and name HD2%)
2.200 .600 .600 peak 944 spectrum 1 weight .10000E+01 volume .47054E-02 ppm1 .052 ppm2 .605 CV 1
ASSI { 954}
( segid "A " and resid 5 and name HD1%)
(( segid "A " and resid 5 and name HG ))
2.400 .700 .700 peak 954 spectrum 1 weight .10000E+01 volume .27352E-02 ppm1 .052 ppm2 1.471 CV 1
ASSI { 955}
( segid "A " and resid 5 and name HD1%)
(( segid "A " and resid 6 and name HG1 ))
2.500 2.500 3.500 peak 955 spectrum 1 weight .10000E+01 volume .21210E-02 ppm1 .051 ppm2 1.280 CV 1
ASSI { 959}
( segid "A " and resid 58 and name HG1%)
(( segid "A " and resid 58 and name HB ))
2.200 .600 .600 peak 959 spectrum 1 weight .10000E+01 volume .53187E-02 ppm1 .785 ppm2 1.921 CV 1
ASSI { 963}
( segid "A " and resid 58 and name HG1%)
(( segid "A " and resid 58 and name HA ))
2.200 .600 .600 peak 963 spectrum 1 weight .10000E+01 volume .43758E-02 ppm1 .785 ppm2 3.525 CV 1
ASSI { 964}
( segid "A " and resid 58 and name HG1%)
( segid "A " and resid 58 and name HG2%)
2.000 .500 .500 peak 964 spectrum 1 weight .10000E+01 volume .76270E-02 ppm1 .785 ppm2 .638 CV 1
ASSI { 978}
(( segid "A " and resid 14 and name HB ))
( segid "A " and resid 14 and name HD1%)
2.500 .800 .800 peak 978 spectrum 1 weight .10000E+01 volume .22904E-02 ppm1 1.913 ppm2 .696 CV 1
ASSI { 986}
(( segid "A " and resid 66 and name HB3 ))
(( segid "A " and resid 66 and name HB2 ))
2.100 .500 .500 peak 986 spectrum 1 weight .10000E+01 volume .74050E-02 ppm1 2.431 ppm2 1.993 CV 1
ASSI { 1026}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 57 and name HB3 ))
2.600 2.600 3.400 peak 1026 spectrum 1 weight .10000E+01 volume .18720E-02 ppm1 3.301 ppm2 2.062 CV 1
ASSI { 1027}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 57 and name HB2 ))
2.600 .900 .900 peak 1027 spectrum 1 weight .10000E+01 volume .16881E-02 ppm1 3.301 ppm2 1.919 CV 1
ASSI { 1030}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 57 and name HA ))
2.400 .700 .700 peak 1030 spectrum 1 weight .10000E+01 volume .27225E-02 ppm1 3.302 ppm2 4.063 CV 1
ASSI { 1032}
(( segid "A " and resid 57 and name HD2 ))
(( segid "A " and resid 57 and name HG2 ))
2.800 1.000 1.000 peak 1032 spectrum 1 weight .10000E+01 volume .12698E-02 ppm1 3.305 ppm2 1.169 CV 1
ASSI { 1036}
(( segid "A " and resid 44 and name HB3 ))
(( segid "A " and resid 44 and name HB2 ))
2.400 .700 .700 peak 1036 spectrum 1 weight .10000E+01 volume .27275E-02 ppm1 1.852 ppm2 1.506 CV 1
ASSI { 1037}
(( segid "A " and resid 44 and name HB3 ))
( segid "A " and resid 44 and name HD1%)
2.400 .700 .700 peak 1037 spectrum 1 weight .10000E+01 volume .27326E-02 ppm1 1.853 ppm2 .840 CV 1
ASSI { 1040}
(( segid "A " and resid 44 and name HB2 ))
( segid "A " and resid 44 and name HD1%)
2.400 .700 .700 peak 1040 spectrum 1 weight .10000E+01 volume .31798E-02 ppm1 1.544 ppm2 .840 CV 1
ASSI { 1208}
( segid "A " and resid 14 and name HG2%)
(( segid "A " and resid 14 and name HB ))
2.200 .600 .600 peak 1208 spectrum 1 weight .10000E+01 volume .47731E-02 ppm1 .283 ppm2 1.885 CV 1
ASSI { 1211}
( segid "A " and resid 14 and name HG2%)
(( segid "A " and resid 14 and name HG12))
2.300 .700 .700 peak 1211 spectrum 1 weight .10000E+01 volume .36694E-02 ppm1 .283 ppm2 1.174 CV 1
ASSI { 1212}
( segid "A " and resid 14 and name HG2%)
(( segid "A " and resid 14 and name HG13))
2.300 2.300 3.700 peak 1212 spectrum 1 weight .10000E+01 volume .37415E-02 ppm1 .282 ppm2 1.047 CV 1
ASSI { 1214}
( segid "A " and resid 14 and name HG2%)
( segid "A " and resid 14 and name HD1%)
2.000 .500 .500 peak 1214 spectrum 1 weight .10000E+01 volume .81970E-02 ppm1 .283 ppm2 .696 CV 1
ASSI { 1248}
( segid "A " and resid 24 and name HG2%)
(( segid "A " and resid 24 and name HA ))
2.300 .600 .600 peak 1248 spectrum 1 weight .10000E+01 volume .40896E-02 ppm1 1.112 ppm2 3.544 CV 1
ASSI { 1250}
( segid "A " and resid 24 and name HG2%)
(( segid "A " and resid 24 and name HB ))
2.100 .600 .600 peak 1250 spectrum 1 weight .10000E+01 volume .63369E-02 ppm1 1.112 ppm2 2.104 CV 1
ASSI { 1251}
( segid "A " and resid 24 and name HG2%)
(( segid "A " and resid 24 and name HG12))
2.200 .600 .600 peak 1251 spectrum 1 weight .10000E+01 volume .45614E-02 ppm1 1.112 ppm2 1.622 CV 1
ASSI { 1262}
( segid "A " and resid 60 and name HB% )
(( segid "A " and resid 60 and name HA ))
2.000 .500 .500 peak 1262 spectrum 1 weight .10000E+01 volume .10105E-01 ppm1 1.329 ppm2 3.960 CV 1
ASSI { 1320}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 19 and name HB ))
2.100 .500 .500 peak 1320 spectrum 1 weight .10000E+01 volume .66884E-02 ppm1 .804 ppm2 2.152 CV 1
ASSI { 1321}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 18 and name HB3 ))
2.500 2.500 3.500 peak 1321 spectrum 1 weight .10000E+01 volume .22134E-02 ppm1 .804 ppm2 1.888 CV 1
ASSI { 1333}
( segid "A " and resid 26 and name HG2%)
(( segid "A " and resid 26 and name HA ))
2.400 .700 .700 peak 1333 spectrum 1 weight .10000E+01 volume .29825E-02 ppm1 .642 ppm2 2.694 CV 1
ASSI { 1337}
(( segid "A " and resid 43 and name HB3 ))
(( segid "A " and resid 43 and name HB2 ))
1.400 .300 .800 peak 1337 spectrum 1 weight .10000E+01 volume .66587E-01 ppm1 3.918 ppm2 3.891 CV 1
ASSI { 1491}
( segid "A " and resid 26 and name HG2%)
(( segid "A " and resid 26 and name HG12))
2.200 .600 .600 peak 1491 spectrum 1 weight .10000E+01 volume .52103E-02 ppm1 .746 ppm2 .938 CV 1
ASSI { 1496}
(( segid "A " and resid 26 and name HG12))
( segid "A " and resid 26 and name HD1%)
2.100 .500 .500 peak 1496 spectrum 1 weight .10000E+01 volume .73905E-02 ppm1 .972 ppm2 .727 CV 1
ASSI { 1513}
(( segid "A " and resid 68 and name HG2 ))
(( segid "A " and resid 68 and name HB3 ))
2.800 1.000 1.000 peak 1513 spectrum 1 weight .10000E+01 volume .10834E-02 ppm1 1.402 ppm2 2.097 CV 1
ASSI { 1525}
(( segid "A " and resid 68 and name HD3 ))
(( segid "A " and resid 68 and name HG3 ))
3.000 1.100 1.100 peak 1525 spectrum 1 weight .10000E+01 volume .83130E-03 ppm1 3.989 ppm2 1.596 CV 1
ASSI { 1529}
(( segid "A " and resid 10 and name HB2 ))
( segid "A " and resid 10 and name HD% )
2.800 1.000 1.000 peak 1529 spectrum 1 weight .10000E+01 volume .11800E-02 ppm1 3.281 ppm2 6.971 CV 1
ASSI { 1530}
(( segid "A " and resid 10 and name HB3 ))
( segid "A " and resid 10 and name HD% )
2.800 1.000 1.000 peak 1530 spectrum 1 weight .10000E+01 volume .10681E-02 ppm1 2.772 ppm2 6.975 CV 1
ASSI { 1565}
(( segid "A " and resid 14 and name HB ))
(( segid "A " and resid 14 and name HG12))
2.800 1.000 1.000 peak 1565 spectrum 1 weight .10000E+01 volume .10622E-02 ppm1 1.910 ppm2 1.177 CV 1
ASSI { 1566}
(( segid "A " and resid 14 and name HB ))
(( segid "A " and resid 14 and name HG13))
2.700 .900 .900 peak 1566 spectrum 1 weight .10000E+01 volume .14392E-02 ppm1 1.910 ppm2 1.036 CV 1
ASSI { 1568}
(( segid "A " and resid 62 and name HA ))
( segid "A " and resid 62 and name HD% )
2.700 .900 .900 peak 1568 spectrum 1 weight .10000E+01 volume .13900E-02 ppm1 3.977 ppm2 6.416 CV 1
ASSI { 1632}
( segid "A " and resid 13 and name HB% )
(( segid "A " and resid 13 and name HA ))
2.000 .500 .500 peak 1632 spectrum 1 weight .10000E+01 volume .80657E-02 ppm1 1.383 ppm2 3.839 CV 1
ASSI { 1640}
(( segid "A " and resid 99 and name HB ))
(( segid "A " and resid 99 and name HG1 ))
2.100 .500 .500 peak 1640 spectrum 1 weight .10000E+01 volume .73872E-02 ppm1 4.232 ppm2 1.217 CV 1
ASSI { 1643}
(( segid "A " and resid 3 and name HB2 ))
(( segid "A " and resid 3 and name HB3 ))
2.300 .600 .600 peak 1643 spectrum 1 weight .10000E+01 volume .40447E-02 ppm1 .938 ppm2 1.173 CV 1
ASSI { 1652}
(( segid "A " and resid 3 and name HB3 ))
(( segid "A " and resid 3 and name HG2 ))
2.700 .900 .900 peak 1652 spectrum 1 weight .10000E+01 volume .13494E-02 ppm1 1.198 ppm2 .353 CV 1
ASSI { 1683}
( segid "A " and resid 91 and name HB% )
(( segid "A " and resid 91 and name HA ))
1.900 .400 .400 peak 1683 spectrum 1 weight .10000E+01 volume .13612E-01 ppm1 1.645 ppm2 4.192 CV 1
ASSI { 1692}
( segid "A " and resid 93 and name HB% )
(( segid "A " and resid 93 and name HA ))
2.000 .500 .500 peak 1692 spectrum 1 weight .10000E+01 volume .98937E-02 ppm1 1.778 ppm2 4.328 CV 1
ASSI { 1700}
( segid "A " and resid 13 and name HB% )
( segid "A " and resid 14 and name HD1%)
2.100 2.100 3.900 peak 1700 spectrum 1 weight .10000E+01 volume .72779E-02 ppm1 1.383 ppm2 .621 CV 1
ASSI { 1711}
(( segid "A " and resid 68 and name HG2 ))
(( segid "A " and resid 68 and name HA ))
3.100 1.200 1.200 peak 1711 spectrum 1 weight .10000E+01 volume .58295E-03 ppm1 1.404 ppm2 4.321 CV 1
ASSI { 1736}
(( segid "A " and resid 81 and name HB2 ))
(( segid "A " and resid 81 and name HB3 ))
2.500 .800 .800 peak 1736 spectrum 1 weight .10000E+01 volume .23405E-02 ppm1 2.954 ppm2 3.056 CV 1
ASSI { 1738}
(( segid "A " and resid 81 and name HB3 ))
(( segid "A " and resid 81 and name HA ))
2.700 .900 .900 peak 1738 spectrum 1 weight .10000E+01 volume .13070E-02 ppm1 3.090 ppm2 4.316 CV 1
ASSI { 1739}
(( segid "A " and resid 81 and name HB2 ))
(( segid "A " and resid 81 and name HA ))
2.700 .900 .900 peak 1739 spectrum 1 weight .10000E+01 volume .14434E-02 ppm1 2.960 ppm2 4.317 CV 1
ASSI { 1768}
(( segid "A " and resid 17 and name HB2 ))
(( segid "A " and resid 17 and name HA ))
2.500 .800 .800 peak 1768 spectrum 1 weight .10000E+01 volume .22032E-02 ppm1 1.587 ppm2 4.320 CV 1
ASSI { 1775}
(( segid "A " and resid 17 and name HB2 ))
( segid "A " and resid 17 and name HD1%)
2.400 .700 .700 peak 1775 spectrum 1 weight .10000E+01 volume .31807E-02 ppm1 1.586 ppm2 .727 CV 1
ASSI { 35}
(( segid "B " and resid 14 and name HA ))
( segid "B " and resid 14 and name HG2%)
2.300 .700 .700 peak 35 spectrum 1 weight .10000E+01 volume .37126E-02 ppm1 4.073 ppm2 .253 CV 1
ASSI { 64}
(( segid "B " and resid 80 and name HA ))
( segid "B " and resid 83 and name HB% )
2.300 .700 .700 peak 64 spectrum 1 weight .10000E+01 volume .37601E-02 ppm1 3.699 ppm2 1.205 CV 1
ASSI { 79}
(( segid "B " and resid 56 and name HA ))
(( segid "B " and resid 56 and name HB2 ))
2.300 .600 .600 peak 79 spectrum 1 weight .10000E+01 volume .43276E-02 ppm1 4.378 ppm2 3.265 CV 1
ASSI { 93}
(( segid "B " and resid 47 and name HA ))
(( segid "B " and resid 47 and name HG1 ))
2.200 2.200 3.800 peak 93 spectrum 1 weight .10000E+01 volume .53873E-02 ppm1 4.420 ppm2 1.347 CV 1
ASSI { 94}
(( segid "B " and resid 6 and name HA ))
(( segid "B " and resid 6 and name HG1 ))
2.200 2.200 3.800 peak 94 spectrum 1 weight .10000E+01 volume .49485E-02 ppm1 4.507 ppm2 1.272 CV 1
ASSI { 104}
(( segid "B " and resid 40 and name HA ))
(( segid "B " and resid 40 and name HB2 ))
2.300 .600 .600 peak 104 spectrum 1 weight .10000E+01 volume .42616E-02 ppm1 4.303 ppm2 2.978 CV 1
ASSI { 105}
(( segid "B " and resid 79 and name HA ))
(( segid "B " and resid 79 and name HB3 ))
2.500 .800 .800 peak 105 spectrum 1 weight .10000E+01 volume .22913E-02 ppm1 4.213 ppm2 3.236 CV 1
ASSI { 107}
(( segid "B " and resid 75 and name HA ))
(( segid "B " and resid 75 and name HG1 ))
2.400 2.400 3.600 peak 107 spectrum 1 weight .10000E+01 volume .30757E-02 ppm1 5.526 ppm2 1.097 CV 1
ASSI { 147}
(( segid "B " and resid 32 and name HA ))
( segid "B " and resid 32 and name HG1%)
2.300 .700 .700 peak 147 spectrum 1 weight .10000E+01 volume .34925E-02 ppm1 4.719 ppm2 .814 CV 1
ASSI { 148}
(( segid "B " and resid 32 and name HA ))
( segid "B " and resid 32 and name HG2%)
2.400 .700 .700 peak 148 spectrum 1 weight .10000E+01 volume .26581E-02 ppm1 4.719 ppm2 .413 CV 1
ASSI { 162}
(( segid "B " and resid 30 and name HA ))
( segid "B " and resid 30 and name HG2%)
2.300 2.300 3.700 peak 162 spectrum 1 weight .10000E+01 volume .37830E-02 ppm1 4.417 ppm2 .982 CV 1
ASSI { 163}
(( segid "B " and resid 30 and name HA ))
( segid "B " and resid 30 and name HG1%)
2.300 .600 .600 peak 163 spectrum 1 weight .10000E+01 volume .40337E-02 ppm1 4.417 ppm2 .908 CV 1
ASSI { 166}
(( segid "B " and resid 42 and name HA ))
(( segid "B " and resid 42 and name HG1 ))
2.100 .600 .600 peak 166 spectrum 1 weight .10000E+01 volume .62242E-02 ppm1 4.071 ppm2 1.239 CV 1
ASSI { 181}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 23 and name HG1 ))
2.400 2.400 3.600 peak 181 spectrum 1 weight .10000E+01 volume .32501E-02 ppm1 3.804 ppm2 1.168 CV 1
ASSI { 183}
(( segid "B " and resid 55 and name HA ))
( segid "B " and resid 55 and name HG1%)
2.300 2.300 3.700 peak 183 spectrum 1 weight .10000E+01 volume .34746E-02 ppm1 3.377 ppm2 .988 CV 1
ASSI { 184}
(( segid "B " and resid 55 and name HA ))
( segid "B " and resid 55 and name HG2%)
2.400 .700 .700 peak 184 spectrum 1 weight .10000E+01 volume .32739E-02 ppm1 3.379 ppm2 .900 CV 1
ASSI { 188}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 23 and name HB ))
2.800 1.000 1.000 peak 188 spectrum 1 weight .10000E+01 volume .11876E-02 ppm1 3.804 ppm2 4.258 CV 1
ASSI { 193}
(( segid "B " and resid 24 and name HB ))
( segid "B " and resid 24 and name HD1%)
2.500 .800 .800 peak 193 spectrum 1 weight .10000E+01 volume .22879E-02 ppm1 2.138 ppm2 .752 CV 1
ASSI { 195}
(( segid "B " and resid 24 and name HB ))
(( segid "B " and resid 23 and name HA ))
2.600 2.600 3.400 peak 195 spectrum 1 weight .10000E+01 volume .18296E-02 ppm1 2.139 ppm2 3.936 CV 1
ASSI { 201}
(( segid "B " and resid 68 and name HD3 ))
(( segid "B " and resid 68 and name HA ))
2.600 2.600 3.400 peak 201 spectrum 1 weight .10000E+01 volume .17992E-02 ppm1 3.990 ppm2 4.428 CV 1
ASSI { 202}
(( segid "B " and resid 68 and name HD2 ))
(( segid "B " and resid 68 and name HA ))
2.600 2.600 3.400 peak 202 spectrum 1 weight .10000E+01 volume .18254E-02 ppm1 3.547 ppm2 4.431 CV 1
ASSI { 204}
(( segid "B " and resid 72 and name HA ))
( segid "B " and resid 72 and name HB% )
2.200 .600 .600 peak 204 spectrum 1 weight .10000E+01 volume .52738E-02 ppm1 4.625 ppm2 1.163 CV 1
ASSI { 206}
(( segid "B " and resid 66 and name HA ))
(( segid "B " and resid 66 and name HB3 ))
2.400 .700 .700 peak 206 spectrum 1 weight .10000E+01 volume .31595E-02 ppm1 4.549 ppm2 2.401 CV 1
ASSI { 207}
(( segid "B " and resid 66 and name HA ))
(( segid "B " and resid 66 and name HB2 ))
2.400 .700 .700 peak 207 spectrum 1 weight .10000E+01 volume .32570E-02 ppm1 4.549 ppm2 1.992 CV 1
ASSI { 210}
(( segid "B " and resid 4 and name HA ))
(( segid "B " and resid 4 and name HB3 ))
2.700 .900 .900 peak 210 spectrum 1 weight .10000E+01 volume .13155E-02 ppm1 5.044 ppm2 1.843 CV 1
ASSI { 211}
(( segid "B " and resid 4 and name HA ))
(( segid "B " and resid 4 and name HG3 ))
2.700 .900 .900 peak 211 spectrum 1 weight .10000E+01 volume .14349E-02 ppm1 5.042 ppm2 1.609 CV 1
ASSI { 212}
(( segid "B " and resid 4 and name HA ))
(( segid "B " and resid 4 and name HG2 ))
3.000 1.100 1.100 peak 212 spectrum 1 weight .10000E+01 volume .84070E-03 ppm1 5.038 ppm2 1.396 CV 1
ASSI { 214}
(( segid "B " and resid 4 and name HA ))
(( segid "B " and resid 4 and name HD3 ))
2.700 2.700 3.300 peak 214 spectrum 1 weight .10000E+01 volume .15070E-02 ppm1 5.045 ppm2 3.304 CV 1
ASSI { 215}
(( segid "B " and resid 4 and name HA ))
(( segid "B " and resid 4 and name HD2 ))
2.900 2.900 3.100 peak 215 spectrum 1 weight .10000E+01 volume .95972E-03 ppm1 5.045 ppm2 3.180 CV 1
ASSI { 228}
(( segid "B " and resid 17 and name HA ))
(( segid "B " and resid 18 and name HB3 ))
2.500 2.500 3.500 peak 228 spectrum 1 weight .10000E+01 volume .23997E-02 ppm1 4.356 ppm2 1.904 CV 1
ASSI { 231}
(( segid "B " and resid 17 and name HA ))
( segid "B " and resid 17 and name HD2%)
2.200 .600 .600 peak 231 spectrum 1 weight .10000E+01 volume .48545E-02 ppm1 4.347 ppm2 .785 CV 1
ASSI { 232}
(( segid "B " and resid 17 and name HA ))
( segid "B " and resid 17 and name HD1%)
2.300 .600 .600 peak 232 spectrum 1 weight .10000E+01 volume .43514E-02 ppm1 4.347 ppm2 .721 CV 1
ASSI { 251}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 33 and name HB2 ))
2.500 .800 .800 peak 251 spectrum 1 weight .10000E+01 volume .21540E-02 ppm1 4.623 ppm2 3.302 CV 1
ASSI { 252}
(( segid "B " and resid 33 and name HA ))
(( segid "B " and resid 33 and name HB3 ))
2.400 .700 .700 peak 252 spectrum 1 weight .10000E+01 volume .28630E-02 ppm1 4.623 ppm2 2.774 CV 1
ASSI { 264}
( segid "B " and resid 83 and name HB% )
(( segid "B " and resid 83 and name HA ))
2.100 .500 .500 peak 264 spectrum 1 weight .10000E+01 volume .69662E-02 ppm1 1.242 ppm2 3.690 CV 1
ASSI { 268}
(( segid "B " and resid 33 and name HA ))
( segid "B " and resid 32 and name HG1%)
2.800 1.000 1.000 peak 268 spectrum 1 weight .10000E+01 volume .11173E-02 ppm1 4.620 ppm2 .814 CV 1
ASSI { 270}
(( segid "B " and resid 33 and name HB2 ))
(( segid "B " and resid 33 and name HB3 ))
2.400 .700 .700 peak 270 spectrum 1 weight .10000E+01 volume .26590E-02 ppm1 3.329 ppm2 2.776 CV 1
ASSI { 286}
(( segid "B " and resid 75 and name HB ))
(( segid "B " and resid 75 and name HG1 ))
2.000 2.000 4.000 peak 286 spectrum 1 weight .10000E+01 volume .83316E-02 ppm1 3.906 ppm2 1.099 CV 1
ASSI { 289}
(( segid "B " and resid 6 and name HB ))
(( segid "B " and resid 6 and name HA ))
2.600 .800 .800 peak 289 spectrum 1 weight .10000E+01 volume .20448E-02 ppm1 4.748 ppm2 4.481 CV 1
ASSI { 290}
(( segid "B " and resid 47 and name HB ))
(( segid "B " and resid 47 and name HA ))
2.400 .700 .700 peak 290 spectrum 1 weight .10000E+01 volume .30265E-02 ppm1 4.682 ppm2 4.390 CV 1
ASSI { 291}
(( segid "B " and resid 47 and name HB ))
(( segid "B " and resid 47 and name HG1 ))
2.200 .600 .600 peak 291 spectrum 1 weight .10000E+01 volume .53610E-02 ppm1 4.682 ppm2 1.347 CV 1
ASSI { 292}
(( segid "B " and resid 6 and name HB ))
(( segid "B " and resid 6 and name HG1 ))
2.200 .600 .600 peak 292 spectrum 1 weight .10000E+01 volume .49518E-02 ppm1 4.751 ppm2 1.273 CV 1
ASSI { 297}
(( segid "B " and resid 75 and name HB ))
(( segid "B " and resid 75 and name HA ))
2.400 .700 .700 peak 297 spectrum 1 weight .10000E+01 volume .29359E-02 ppm1 3.906 ppm2 5.498 CV 1
ASSI { 310}
(( segid "B " and resid 19 and name HA ))
(( segid "B " and resid 19 and name HB ))
2.300 .700 .700 peak 310 spectrum 1 weight .10000E+01 volume .37592E-02 ppm1 4.604 ppm2 2.154 CV 1
ASSI { 311}
(( segid "B " and resid 19 and name HA ))
( segid "B " and resid 19 and name HG1%)
2.100 .600 .600 peak 311 spectrum 1 weight .10000E+01 volume .64554E-02 ppm1 4.606 ppm2 .868 CV 1
ASSI { 312}
(( segid "B " and resid 19 and name HA ))
( segid "B " and resid 19 and name HG2%)
2.400 .700 .700 peak 312 spectrum 1 weight .10000E+01 volume .27631E-02 ppm1 4.604 ppm2 .779 CV 1
ASSI { 316}
(( segid "B " and resid 19 and name HB ))
( segid "B " and resid 19 and name HG1%)
2.200 .600 .600 peak 316 spectrum 1 weight .10000E+01 volume .44429E-02 ppm1 2.184 ppm2 .866 CV 1
ASSI { 323}
(( segid "B " and resid 42 and name HB ))
(( segid "B " and resid 42 and name HG1 ))
1.900 1.900 4.100 peak 323 spectrum 1 weight .10000E+01 volume .12698E-01 ppm1 4.186 ppm2 1.239 CV 1
ASSI { 330}
(( segid "B " and resid 39 and name HB ))
(( segid "B " and resid 39 and name HG1 ))
2.100 .500 .500 peak 330 spectrum 1 weight .10000E+01 volume .70754E-02 ppm1 3.910 ppm2 .970 CV 1
ASSI { 332}
(( segid "B " and resid 23 and name HB ))
(( segid "B " and resid 23 and name HG1 ))
2.200 .600 .600 peak 332 spectrum 1 weight .10000E+01 volume .49518E-02 ppm1 4.285 ppm2 1.169 CV 1
ASSI { 337}
(( segid "B " and resid 11 and name HA ))
(( segid "B " and resid 11 and name HB3 ))
2.500 .800 .800 peak 337 spectrum 1 weight .10000E+01 volume .25140E-02 ppm1 3.807 ppm2 2.164 CV 1
ASSI { 339}
(( segid "B " and resid 11 and name HA ))
(( segid "B " and resid 11 and name HG2 ))
2.700 .900 .900 peak 339 spectrum 1 weight .10000E+01 volume .14028E-02 ppm1 3.804 ppm2 2.621 CV 1
ASSI { 343}
(( segid "B " and resid 48 and name HA ))
(( segid "B " and resid 48 and name HD3 ))
2.800 2.800 3.200 peak 343 spectrum 1 weight .10000E+01 volume .12892E-02 ppm1 3.895 ppm2 3.176 CV 1
ASSI { 345}
(( segid "B " and resid 48 and name HA ))
(( segid "B " and resid 48 and name HB3 ))
2.200 .600 .600 peak 345 spectrum 1 weight .10000E+01 volume .49087E-02 ppm1 3.896 ppm2 1.859 CV 1
OR { 345}
(( segid "B " and resid 48 and name HA ))
(( segid "B " and resid 48 and name HB2 ))
ASSI { 346}
(( segid "B " and resid 48 and name HA ))
(( segid "B " and resid 48 and name HG2 ))
2.800 1.000 1.000 peak 346 spectrum 1 weight .10000E+01 volume .12223E-02 ppm1 3.897 ppm2 1.607 CV 1
ASSI { 380}
(( segid "B " and resid 73 and name HA ))
( segid "B " and resid 74 and name HG1%)
2.500 2.500 3.500 peak 380 spectrum 1 weight .10000E+01 volume .21227E-02 ppm1 5.022 ppm2 .879 CV 1
ASSI { 389}
(( segid "B " and resid 61 and name HA ))
(( segid "B " and resid 62 and name HB2 ))
2.500 2.500 3.500 peak 389 spectrum 1 weight .10000E+01 volume .22684E-02 ppm1 4.142 ppm2 2.610 CV 1
ASSI { 391}
(( segid "B " and resid 68 and name HD2 ))
(( segid "B " and resid 68 and name HD3 ))
2.400 .700 .700 peak 391 spectrum 1 weight .10000E+01 volume .30723E-02 ppm1 3.544 ppm2 3.962 CV 1
ASSI { 393}
(( segid "B " and resid 68 and name HD2 ))
(( segid "B " and resid 68 and name HB3 ))
2.700 2.700 3.300 peak 393 spectrum 1 weight .10000E+01 volume .15433E-02 ppm1 3.543 ppm2 2.128 CV 1
ASSI { 394}
(( segid "B " and resid 68 and name HD2 ))
(( segid "B " and resid 68 and name HB2 ))
2.700 .900 .900 peak 394 spectrum 1 weight .10000E+01 volume .15137E-02 ppm1 3.547 ppm2 2.059 CV 1
ASSI { 395}
(( segid "B " and resid 68 and name HD2 ))
(( segid "B " and resid 68 and name HG3 ))
2.900 1.000 1.000 peak 395 spectrum 1 weight .10000E+01 volume .95633E-03 ppm1 3.545 ppm2 1.596 CV 1
ASSI { 396}
(( segid "B " and resid 68 and name HD2 ))
(( segid "B " and resid 68 and name HG2 ))
2.700 .900 .900 peak 396 spectrum 1 weight .10000E+01 volume .14045E-02 ppm1 3.548 ppm2 1.408 CV 1
ASSI { 403}
(( segid "B " and resid 68 and name HD3 ))
(( segid "B " and resid 68 and name HG2 ))
2.800 1.000 1.000 peak 403 spectrum 1 weight .10000E+01 volume .11859E-02 ppm1 3.991 ppm2 1.408 CV 1
ASSI { 405}
(( segid "B " and resid 76 and name HA ))
( segid "B " and resid 76 and name HB% )
2.200 .600 .600 peak 405 spectrum 1 weight .10000E+01 volume .52112E-02 ppm1 4.900 ppm2 1.077 CV 1
ASSI { 409}
(( segid "B " and resid 78 and name HA ))
( segid "B " and resid 76 and name HB% )
2.700 2.700 3.300 peak 409 spectrum 1 weight .10000E+01 volume .13892E-02 ppm1 5.041 ppm2 1.093 CV 1
ASSI { 418}
(( segid "B " and resid 46 and name HA ))
(( segid "B " and resid 46 and name HG ))
2.600 .800 .800 peak 418 spectrum 1 weight .10000E+01 volume .20381E-02 ppm1 4.790 ppm2 1.506 CV 1
ASSI { 420}
(( segid "B " and resid 46 and name HA ))
( segid "B " and resid 46 and name HD2%)
2.200 2.200 3.800 peak 420 spectrum 1 weight .10000E+01 volume .47537E-02 ppm1 4.787 ppm2 .813 CV 1
ASSI { 424}
(( segid "B " and resid 71 and name HA ))
(( segid "B " and resid 70 and name HA1 ))
2.800 2.800 3.200 peak 424 spectrum 1 weight .10000E+01 volume .12689E-02 ppm1 5.036 ppm2 3.950 CV 1
ASSI { 432}
(( segid "B " and resid 10 and name HB2 ))
(( segid "B " and resid 10 and name HA ))
2.900 1.100 1.100 peak 432 spectrum 1 weight .10000E+01 volume .91990E-03 ppm1 3.282 ppm2 3.721 CV 1
ASSI { 439}
(( segid "B " and resid 10 and name HA ))
(( segid "B " and resid 10 and name HB3 ))
2.700 .900 .900 peak 439 spectrum 1 weight .10000E+01 volume .13570E-02 ppm1 3.745 ppm2 2.744 CV 1
ASSI { 445}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 14 and name HG12))
2.800 1.000 1.000 peak 445 spectrum 1 weight .10000E+01 volume .10665E-02 ppm1 4.071 ppm2 1.170 CV 1
ASSI { 446}
(( segid "B " and resid 14 and name HA ))
(( segid "B " and resid 14 and name HG13))
2.900 1.000 1.000 peak 446 spectrum 1 weight .10000E+01 volume .96819E-03 ppm1 4.072 ppm2 1.042 CV 1
ASSI { 448}
(( segid "B " and resid 14 and name HA ))
( segid "B " and resid 14 and name HD1%)
2.400 2.400 3.600 peak 448 spectrum 1 weight .10000E+01 volume .29385E-02 ppm1 4.072 ppm2 .719 CV 1
ASSI { 449}
(( segid "B " and resid 32 and name HA ))
(( segid "B " and resid 32 and name HB ))
2.800 1.000 1.000 peak 449 spectrum 1 weight .10000E+01 volume .11215E-02 ppm1 4.724 ppm2 2.058 CV 1
ASSI { 453}
(( segid "B " and resid 24 and name HA ))
(( segid "B " and resid 24 and name HB ))
2.800 1.000 1.000 peak 453 spectrum 1 weight .10000E+01 volume .11833E-02 ppm1 3.579 ppm2 2.111 CV 1
ASSI { 454}
(( segid "B " and resid 24 and name HA ))
(( segid "B " and resid 24 and name HG12))
2.500 .800 .800 peak 454 spectrum 1 weight .10000E+01 volume .22388E-02 ppm1 3.575 ppm2 1.626 CV 1
OR { 454}
(( segid "B " and resid 24 and name HA ))
(( segid "B " and resid 24 and name HG13))
ASSI { 455}
(( segid "B " and resid 24 and name HA ))
(( segid "B " and resid 23 and name HG1 ))
2.900 2.900 3.100 peak 455 spectrum 1 weight .10000E+01 volume .10520E-02 ppm1 3.576 ppm2 1.160 CV 1
ASSI { 457}
(( segid "B " and resid 24 and name HA ))
( segid "B " and resid 24 and name HD1%)
2.500 2.500 3.500 peak 457 spectrum 1 weight .10000E+01 volume .26005E-02 ppm1 3.575 ppm2 .756 CV 1
ASSI { 461}
(( segid "B " and resid 37 and name HG2 ))
(( segid "B " and resid 37 and name HA ))
2.800 1.000 1.000 peak 461 spectrum 1 weight .10000E+01 volume .11156E-02 ppm1 2.717 ppm2 3.849 CV 1
ASSI { 472}
(( segid "B " and resid 85 and name HA ))
(( segid "B " and resid 86 and name HB ))
2.800 2.800 3.200 peak 472 spectrum 1 weight .10000E+01 volume .12595E-02 ppm1 3.240 ppm2 1.970 CV 1
ASSI { 473}
(( segid "B " and resid 85 and name HA ))
( segid "B " and resid 86 and name HG2%)
2.600 2.600 3.400 peak 473 spectrum 1 weight .10000E+01 volume .16881E-02 ppm1 3.242 ppm2 1.651 CV 1
ASSI { 474}
(( segid "B " and resid 85 and name HA ))
( segid "B " and resid 86 and name HG1%)
2.700 2.700 3.300 peak 474 spectrum 1 weight .10000E+01 volume .14375E-02 ppm1 3.245 ppm2 .951 CV 1
ASSI { 475}
(( segid "B " and resid 85 and name HA ))
( segid "B " and resid 85 and name HD1%)
2.700 2.700 3.300 peak 475 spectrum 1 weight .10000E+01 volume .14841E-02 ppm1 3.247 ppm2 .741 CV 1
ASSI { 476}
(( segid "B " and resid 85 and name HA ))
( segid "B " and resid 85 and name HG2%)
2.500 .800 .800 peak 476 spectrum 1 weight .10000E+01 volume .21007E-02 ppm1 3.242 ppm2 -.090 CV 1
ASSI { 495}
(( segid "B " and resid 7 and name HA ))
(( segid "B " and resid 7 and name HG2 ))
2.700 .900 .900 peak 495 spectrum 1 weight .10000E+01 volume .14848E-02 ppm1 4.049 ppm2 2.263 CV 1
ASSI { 511}
(( segid "B " and resid 15 and name HA ))
(( segid "B " and resid 15 and name HG2 ))
2.300 .700 .700 peak 511 spectrum 1 weight .10000E+01 volume .37050E-02 ppm1 4.026 ppm2 2.457 CV 1
ASSI { 513}
(( segid "B " and resid 15 and name HA ))
( segid "B " and resid 14 and name HG2%)
3.000 3.000 3.000 peak 513 spectrum 1 weight .10000E+01 volume .71272E-03 ppm1 4.025 ppm2 .251 CV 1
ASSI { 515}
(( segid "B " and resid 15 and name HA ))
(( segid "B " and resid 14 and name HG13))
3.000 1.100 1.100 peak 515 spectrum 1 weight .10000E+01 volume .75558E-03 ppm1 4.028 ppm2 1.033 CV 1
ASSI { 517}
(( segid "B " and resid 16 and name HA1 ))
(( segid "B " and resid 16 and name HA2 ))
2.200 .600 .600 peak 517 spectrum 1 weight .10000E+01 volume .50713E-02 ppm1 3.812 ppm2 4.007 CV 1
ASSI { 525}
(( segid "B " and resid 20 and name HA2 ))
(( segid "B " and resid 20 and name HA1 ))
2.200 .600 .600 peak 525 spectrum 1 weight .10000E+01 volume .49417E-02 ppm1 4.224 ppm2 4.018 CV 1
ASSI { 547}
(( segid "B " and resid 23 and name HA ))
(( segid "B " and resid 22 and name HA ))
3.000 3.000 3.000 peak 547 spectrum 1 weight .10000E+01 volume .82444E-03 ppm1 3.806 ppm2 4.165 CV 1
ASSI { 549}
(( segid "B " and resid 51 and name HA ))
(( segid "B " and resid 51 and name HB ))
2.800 1.000 1.000 peak 549 spectrum 1 weight .10000E+01 volume .11808E-02 ppm1 3.632 ppm2 2.257 CV 1
ASSI { 552}
(( segid "B " and resid 51 and name HA ))
( segid "B " and resid 50 and name HB% )
3.000 1.100 1.100 peak 552 spectrum 1 weight .10000E+01 volume .77209E-03 ppm1 3.631 ppm2 1.530 CV 1
ASSI { 558}
(( segid "B " and resid 26 and name HA ))
(( segid "B " and resid 26 and name HB ))
2.800 1.000 1.000 peak 558 spectrum 1 weight .10000E+01 volume .12037E-02 ppm1 2.732 ppm2 1.540 CV 1
ASSI { 586}
(( segid "B " and resid 29 and name HA1 ))
(( segid "B " and resid 29 and name HA2 ))
2.600 .800 .800 peak 586 spectrum 1 weight .10000E+01 volume .19889E-02 ppm1 3.837 ppm2 3.985 CV 1
ASSI { 603}
(( segid "B " and resid 36 and name HA ))
(( segid "B " and resid 37 and name HB2 ))
2.700 2.700 3.300 peak 603 spectrum 1 weight .10000E+01 volume .13443E-02 ppm1 3.977 ppm2 1.973 CV 1
ASSI { 635}
(( segid "B " and resid 55 and name HA ))
( segid "B " and resid 58 and name HG2%)
2.900 2.900 3.100 peak 635 spectrum 1 weight .10000E+01 volume .99699E-03 ppm1 3.378 ppm2 .617 CV 1
ASSI { 639}
(( segid "B " and resid 57 and name HA ))
(( segid "B " and resid 57 and name HB3 ))
2.400 .700 .700 peak 639 spectrum 1 weight .10000E+01 volume .30054E-02 ppm1 4.089 ppm2 2.066 CV 1
ASSI { 640}
(( segid "B " and resid 57 and name HA ))
(( segid "B " and resid 58 and name HB ))
2.500 2.500 3.500 peak 640 spectrum 1 weight .10000E+01 volume .23886E-02 ppm1 4.091 ppm2 1.920 CV 1
ASSI { 643}
(( segid "B " and resid 57 and name HA ))
(( segid "B " and resid 57 and name HG2 ))
2.500 2.500 3.500 peak 643 spectrum 1 weight .10000E+01 volume .22311E-02 ppm1 4.091 ppm2 1.301 CV 1
ASSI { 644}
(( segid "B " and resid 58 and name HA ))
(( segid "B " and resid 57 and name HB2 ))
2.800 2.800 3.200 peak 644 spectrum 1 weight .10000E+01 volume .11935E-02 ppm1 3.547 ppm2 1.921 CV 1
ASSI { 647}
(( segid "B " and resid 62 and name HA ))
(( segid "B " and resid 62 and name HB3 ))
2.700 .900 .900 peak 647 spectrum 1 weight .10000E+01 volume .13273E-02 ppm1 3.973 ppm2 2.857 CV 1
ASSI { 648}
(( segid "B " and resid 62 and name HA ))
(( segid "B " and resid 62 and name HB2 ))
2.700 .900 .900 peak 648 spectrum 1 weight .10000E+01 volume .15306E-02 ppm1 3.969 ppm2 2.667 CV 1
ASSI { 658}
(( segid "B " and resid 63 and name HA ))
(( segid "B " and resid 63 and name HB3 ))
2.300 .700 .700 peak 658 spectrum 1 weight .10000E+01 volume .36813E-02 ppm1 3.387 ppm2 1.778 CV 1
ASSI { 659}
(( segid "B " and resid 63 and name HA ))
(( segid "B " and resid 63 and name HB2 ))
2.500 .800 .800 peak 659 spectrum 1 weight .10000E+01 volume .23099E-02 ppm1 3.387 ppm2 1.708 CV 1
ASSI { 661}
(( segid "B " and resid 64 and name HA ))
(( segid "B " and resid 64 and name HB2 ))
2.300 .600 .600 peak 661 spectrum 1 weight .10000E+01 volume .42286E-02 ppm1 4.351 ppm2 2.597 CV 1
ASSI { 674}
(( segid "B " and resid 69 and name HA ))
(( segid "B " and resid 69 and name HG3 ))
2.400 .700 .700 peak 674 spectrum 1 weight .10000E+01 volume .33248E-02 ppm1 4.119 ppm2 2.312 CV 1
ASSI { 675}
(( segid "B " and resid 69 and name HA ))
(( segid "B " and resid 69 and name HB2 ))
2.200 .600 .600 peak 675 spectrum 1 weight .10000E+01 volume .56100E-02 ppm1 4.119 ppm2 1.985 CV 1
ASSI { 676}
(( segid "B " and resid 71 and name HA ))
(( segid "B " and resid 71 and name HB2 ))
3.000 1.100 1.100 peak 676 spectrum 1 weight .10000E+01 volume .77345E-03 ppm1 5.033 ppm2 3.023 CV 1
ASSI { 688}
(( segid "B " and resid 77 and name HA ))
(( segid "B " and resid 78 and name HA ))
2.800 2.800 3.200 peak 688 spectrum 1 weight .10000E+01 volume .12206E-02 ppm1 4.695 ppm2 5.001 CV 1
ASSI { 689}
(( segid "B " and resid 77 and name HA ))
(( segid "B " and resid 77 and name HB ))
2.900 1.100 1.100 peak 689 spectrum 1 weight .10000E+01 volume .86400E-03 ppm1 4.689 ppm2 2.026 CV 1
ASSI { 690}
(( segid "B " and resid 77 and name HA ))
( segid "B " and resid 77 and name HG1%)
2.300 .700 .700 peak 690 spectrum 1 weight .10000E+01 volume .36686E-02 ppm1 4.693 ppm2 .879 CV 1
ASSI { 691}
(( segid "B " and resid 77 and name HA ))
( segid "B " and resid 76 and name HB% )
3.000 1.200 1.200 peak 691 spectrum 1 weight .10000E+01 volume .71559E-03 ppm1 4.696 ppm2 1.098 CV 1
ASSI { 717}
(( segid "B " and resid 82 and name HA ))
( segid "B " and resid 85 and name HG2%)
3.200 3.200 2.800 peak 717 spectrum 1 weight .10000E+01 volume .57024E-03 ppm1 3.675 ppm2 -.097 CV 1
ASSI { 720}
(( segid "B " and resid 84 and name HA ))
(( segid "B " and resid 85 and name HA ))
3.000 3.000 3.000 peak 720 spectrum 1 weight .10000E+01 volume .81242E-03 ppm1 4.051 ppm2 3.213 CV 1
ASSI { 721}
(( segid "B " and resid 84 and name HA ))
(( segid "B " and resid 84 and name HB2 ))
2.500 .800 .800 peak 721 spectrum 1 weight .10000E+01 volume .25200E-02 ppm1 4.045 ppm2 3.061 CV 1
ASSI { 722}
(( segid "B " and resid 84 and name HA ))
(( segid "B " and resid 84 and name HB3 ))
2.500 .800 .800 peak 722 spectrum 1 weight .10000E+01 volume .22481E-02 ppm1 4.046 ppm2 2.989 CV 1
ASSI { 726}
(( segid "B " and resid 86 and name HA ))
(( segid "B " and resid 86 and name HB ))
3.000 1.100 1.100 peak 726 spectrum 1 weight .10000E+01 volume .84604E-03 ppm1 3.260 ppm2 2.065 CV 1
ASSI { 728}
(( segid "B " and resid 86 and name HA ))
( segid "B " and resid 85 and name HG2%)
3.100 1.200 1.200 peak 728 spectrum 1 weight .10000E+01 volume .61903E-03 ppm1 3.261 ppm2 -.101 CV 1
ASSI { 766}
(( segid "B " and resid 96 and name HA ))
(( segid "B " and resid 96 and name HB2 ))
1.900 1.900 4.100 peak 766 spectrum 1 weight .10000E+01 volume .12664E-01 ppm1 4.233 ppm2 1.928 CV 1
ASSI { 769}
(( segid "B " and resid 96 and name HA ))
(( segid "B " and resid 95 and name HE2 ))
2.700 2.700 3.300 peak 769 spectrum 1 weight .10000E+01 volume .13104E-02 ppm1 4.232 ppm2 2.999 CV 1
ASSI { 773}
(( segid "B " and resid 97 and name HA ))
(( segid "B " and resid 96 and name HB2 ))
2.400 2.400 3.600 peak 773 spectrum 1 weight .10000E+01 volume .31002E-02 ppm1 4.248 ppm2 1.928 CV 1
ASSI { 774}
(( segid "B " and resid 97 and name HA ))
(( segid "B " and resid 97 and name HG2 ))
2.300 .700 .700 peak 774 spectrum 1 weight .10000E+01 volume .35805E-02 ppm1 4.250 ppm2 2.349 CV 1
ASSI { 776}
(( segid "B " and resid 97 and name HA ))
(( segid "B " and resid 97 and name HB3 ))
2.100 .500 .500 peak 776 spectrum 1 weight .10000E+01 volume .68205E-02 ppm1 4.250 ppm2 2.118 CV 1
ASSI { 778}
(( segid "B " and resid 2 and name HA ))
(( segid "B " and resid 2 and name HB2 ))
1.900 1.900 4.100 peak 778 spectrum 1 weight .10000E+01 volume .10436E-01 ppm1 4.248 ppm2 1.693 CV 1
ASSI { 780}
(( segid "B " and resid 98 and name HA ))
(( segid "B " and resid 98 and name HG2 ))
2.400 .700 .700 peak 780 spectrum 1 weight .10000E+01 volume .28630E-02 ppm1 4.321 ppm2 2.362 CV 1
ASSI { 781}
(( segid "B " and resid 98 and name HA ))
(( segid "B " and resid 98 and name HG3 ))
2.200 .600 .600 peak 781 spectrum 1 weight .10000E+01 volume .48706E-02 ppm1 4.321 ppm2 2.259 CV 1
ASSI { 782}
(( segid "B " and resid 98 and name HA ))
(( segid "B " and resid 98 and name HB3 ))
2.100 2.100 3.900 peak 782 spectrum 1 weight .10000E+01 volume .71932E-02 ppm1 4.321 ppm2 2.082 CV 1
ASSI { 799}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 28 and name HA ))
2.800 1.000 1.000 peak 799 spectrum 1 weight .10000E+01 volume .11046E-02 ppm1 .591 ppm2 2.887 CV 1
ASSI { 801}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 28 and name HD3 ))
2.900 1.000 1.000 peak 801 spectrum 1 weight .10000E+01 volume .97581E-03 ppm1 .591 ppm2 3.103 CV 1
ASSI { 811}
(( segid "B " and resid 28 and name HG2 ))
(( segid "B " and resid 28 and name HB3 ))
2.900 1.100 1.100 peak 811 spectrum 1 weight .10000E+01 volume .90382E-03 ppm1 .586 ppm2 1.506 CV 1
ASSI { 827}
(( segid "B " and resid 4 and name HG2 ))
(( segid "B " and resid 4 and name HB3 ))
2.600 .900 .900 peak 827 spectrum 1 weight .10000E+01 volume .17822E-02 ppm1 1.426 ppm2 1.846 CV 1
ASSI { 828}
(( segid "B " and resid 4 and name HG2 ))
(( segid "B " and resid 4 and name HG3 ))
2.100 .500 .500 peak 828 spectrum 1 weight .10000E+01 volume .74481E-02 ppm1 1.427 ppm2 1.629 CV 1
ASSI { 831}
(( segid "B " and resid 4 and name HG2 ))
(( segid "B " and resid 4 and name HD3 ))
2.700 .900 .900 peak 831 spectrum 1 weight .10000E+01 volume .15120E-02 ppm1 1.428 ppm2 3.303 CV 1
ASSI { 832}
(( segid "B " and resid 4 and name HG2 ))
(( segid "B " and resid 4 and name HD2 ))
2.500 .800 .800 peak 832 spectrum 1 weight .10000E+01 volume .21397E-02 ppm1 1.426 ppm2 3.177 CV 1
ASSI { 834}
(( segid "B " and resid 4 and name HG3 ))
(( segid "B " and resid 4 and name HD3 ))
2.600 .800 .800 peak 834 spectrum 1 weight .10000E+01 volume .20144E-02 ppm1 1.664 ppm2 3.303 CV 1
ASSI { 835}
(( segid "B " and resid 4 and name HG3 ))
(( segid "B " and resid 4 and name HD2 ))
2.400 .800 .800 peak 835 spectrum 1 weight .10000E+01 volume .26165E-02 ppm1 1.663 ppm2 3.178 CV 1
ASSI { 837}
(( segid "B " and resid 4 and name HG3 ))
(( segid "B " and resid 4 and name HB3 ))
2.400 .700 .700 peak 837 spectrum 1 weight .10000E+01 volume .31273E-02 ppm1 1.664 ppm2 1.840 CV 1
ASSI { 845}
(( segid "B " and resid 51 and name HB ))
( segid "B " and resid 51 and name HG2%)
2.300 .600 .600 peak 845 spectrum 1 weight .10000E+01 volume .40583E-02 ppm1 2.286 ppm2 .981 CV 1
OR { 845}
(( segid "B " and resid 51 and name HB ))
( segid "B " and resid 51 and name HG1%)
ASSI { 866}
(( segid "B " and resid 2 and name HG2 ))
(( segid "B " and resid 2 and name HE2 ))
2.800 .900 .900 peak 866 spectrum 1 weight .10000E+01 volume .12985E-02 ppm1 1.340 ppm2 2.926 CV 1
ASSI { 869}
( segid "B " and resid 32 and name HG2%)
( segid "B " and resid 32 and name HG1%)
2.100 .500 .500 peak 869 spectrum 1 weight .10000E+01 volume .71365E-02 ppm1 .440 ppm2 .811 CV 1
ASSI { 870}
( segid "B " and resid 32 and name HG2%)
(( segid "B " and resid 32 and name HB ))
2.300 .700 .700 peak 870 spectrum 1 weight .10000E+01 volume .36466E-02 ppm1 .439 ppm2 2.060 CV 1
ASSI { 877}
( segid "B " and resid 58 and name HG2%)
(( segid "B " and resid 57 and name HG2 ))
2.300 2.300 3.700 peak 877 spectrum 1 weight .10000E+01 volume .38058E-02 ppm1 .659 ppm2 1.177 CV 1
ASSI { 880}
( segid "B " and resid 58 and name HG2%)
(( segid "B " and resid 58 and name HB ))
2.200 .600 .600 peak 880 spectrum 1 weight .10000E+01 volume .50815E-02 ppm1 .658 ppm2 1.921 CV 1
ASSI { 882}
( segid "B " and resid 58 and name HG2%)
(( segid "B " and resid 58 and name HA ))
2.400 .700 .700 peak 882 spectrum 1 weight .10000E+01 volume .33518E-02 ppm1 .659 ppm2 3.522 CV 1
ASSI { 890}
(( segid "B " and resid 39 and name HG1 ))
(( segid "B " and resid 39 and name HA ))
1.900 1.900 4.100 peak 890 spectrum 1 weight .10000E+01 volume .11088E-01 ppm1 .997 ppm2 3.882 CV 1
ASSI { 921}
(( segid "B " and resid 3 and name HG2 ))
(( segid "B " and resid 3 and name HB2 ))
2.600 .800 .800 peak 921 spectrum 1 weight .10000E+01 volume .18204E-02 ppm1 .384 ppm2 .923 CV 1
ASSI { 923}
(( segid "B " and resid 3 and name HG2 ))
(( segid "B " and resid 3 and name HD3 ))
2.300 .700 .700 peak 923 spectrum 1 weight .10000E+01 volume .36135E-02 ppm1 .385 ppm2 .748 CV 1
ASSI { 944}
( segid "B " and resid 5 and name HD1%)
( segid "B " and resid 5 and name HD2%)
2.200 .600 .600 peak 944 spectrum 1 weight .10000E+01 volume .47054E-02 ppm1 .052 ppm2 .605 CV 1
ASSI { 954}
( segid "B " and resid 5 and name HD1%)
(( segid "B " and resid 5 and name HG ))
2.400 .700 .700 peak 954 spectrum 1 weight .10000E+01 volume .27352E-02 ppm1 .052 ppm2 1.471 CV 1
ASSI { 955}
( segid "B " and resid 5 and name HD1%)
(( segid "B " and resid 6 and name HG1 ))
2.500 2.500 3.500 peak 955 spectrum 1 weight .10000E+01 volume .21210E-02 ppm1 .051 ppm2 1.280 CV 1
ASSI { 959}
( segid "B " and resid 58 and name HG1%)
(( segid "B " and resid 58 and name HB ))
2.200 .600 .600 peak 959 spectrum 1 weight .10000E+01 volume .53187E-02 ppm1 .785 ppm2 1.921 CV 1
ASSI { 963}
( segid "B " and resid 58 and name HG1%)
(( segid "B " and resid 58 and name HA ))
2.200 .600 .600 peak 963 spectrum 1 weight .10000E+01 volume .43758E-02 ppm1 .785 ppm2 3.525 CV 1
ASSI { 964}
( segid "B " and resid 58 and name HG1%)
( segid "B " and resid 58 and name HG2%)
2.000 .500 .500 peak 964 spectrum 1 weight .10000E+01 volume .76270E-02 ppm1 .785 ppm2 .638 CV 1
ASSI { 978}
(( segid "B " and resid 14 and name HB ))
( segid "B " and resid 14 and name HD1%)
2.500 .800 .800 peak 978 spectrum 1 weight .10000E+01 volume .22904E-02 ppm1 1.913 ppm2 .696 CV 1
ASSI { 986}
(( segid "B " and resid 66 and name HB3 ))
(( segid "B " and resid 66 and name HB2 ))
2.100 .500 .500 peak 986 spectrum 1 weight .10000E+01 volume .74050E-02 ppm1 2.431 ppm2 1.993 CV 1
ASSI { 1026}
(( segid "B " and resid 57 and name HD2 ))
(( segid "B " and resid 57 and name HB3 ))
2.600 2.600 3.400 peak 1026 spectrum 1 weight .10000E+01 volume .18720E-02 ppm1 3.301 ppm2 2.062 CV 1
ASSI { 1027}
(( segid "B " and resid 57 and name HD2 ))
(( segid "B " and resid 57 and name HB2 ))
2.600 .900 .900 peak 1027 spectrum 1 weight .10000E+01 volume .16881E-02 ppm1 3.301 ppm2 1.919 CV 1
ASSI { 1030}
(( segid "B " and resid 57 and name HD2 ))
(( segid "B " and resid 57 and name HA ))
2.400 .700 .700 peak 1030 spectrum 1 weight .10000E+01 volume .27225E-02 ppm1 3.302 ppm2 4.063 CV 1
ASSI { 1032}
(( segid "B " and resid 57 and name HD2 ))
(( segid "B " and resid 57 and name HG2 ))
2.800 1.000 1.000 peak 1032 spectrum 1 weight .10000E+01 volume .12698E-02 ppm1 3.305 ppm2 1.169 CV 1
ASSI { 1036}
(( segid "B " and resid 44 and name HB3 ))
(( segid "B " and resid 44 and name HB2 ))
2.400 .700 .700 peak 1036 spectrum 1 weight .10000E+01 volume .27275E-02 ppm1 1.852 ppm2 1.506 CV 1
ASSI { 1037}
(( segid "B " and resid 44 and name HB3 ))
( segid "B " and resid 44 and name HD1%)
2.400 .700 .700 peak 1037 spectrum 1 weight .10000E+01 volume .27326E-02 ppm1 1.853 ppm2 .840 CV 1
ASSI { 1040}
(( segid "B " and resid 44 and name HB2 ))
( segid "B " and resid 44 and name HD1%)
2.400 .700 .700 peak 1040 spectrum 1 weight .10000E+01 volume .31798E-02 ppm1 1.544 ppm2 .840 CV 1
ASSI { 1208}
( segid "B " and resid 14 and name HG2%)
(( segid "B " and resid 14 and name HB ))
2.200 .600 .600 peak 1208 spectrum 1 weight .10000E+01 volume .47731E-02 ppm1 .283 ppm2 1.885 CV 1
ASSI { 1211}
( segid "B " and resid 14 and name HG2%)
(( segid "B " and resid 14 and name HG12))
2.300 .700 .700 peak 1211 spectrum 1 weight .10000E+01 volume .36694E-02 ppm1 .283 ppm2 1.174 CV 1
ASSI { 1212}
( segid "B " and resid 14 and name HG2%)
(( segid "B " and resid 14 and name HG13))
2.300 2.300 3.700 peak 1212 spectrum 1 weight .10000E+01 volume .37415E-02 ppm1 .282 ppm2 1.047 CV 1
ASSI { 1214}
( segid "B " and resid 14 and name HG2%)
( segid "B " and resid 14 and name HD1%)
2.000 .500 .500 peak 1214 spectrum 1 weight .10000E+01 volume .81970E-02 ppm1 .283 ppm2 .696 CV 1
ASSI { 1248}
( segid "B " and resid 24 and name HG2%)
(( segid "B " and resid 24 and name HA ))
2.300 .600 .600 peak 1248 spectrum 1 weight .10000E+01 volume .40896E-02 ppm1 1.112 ppm2 3.544 CV 1
ASSI { 1250}
( segid "B " and resid 24 and name HG2%)
(( segid "B " and resid 24 and name HB ))
2.100 .600 .600 peak 1250 spectrum 1 weight .10000E+01 volume .63369E-02 ppm1 1.112 ppm2 2.104 CV 1
ASSI { 1251}
( segid "B " and resid 24 and name HG2%)
(( segid "B " and resid 24 and name HG12))
2.200 .600 .600 peak 1251 spectrum 1 weight .10000E+01 volume .45614E-02 ppm1 1.112 ppm2 1.622 CV 1
ASSI { 1262}
( segid "B " and resid 60 and name HB% )
(( segid "B " and resid 60 and name HA ))
2.000 .500 .500 peak 1262 spectrum 1 weight .10000E+01 volume .10105E-01 ppm1 1.329 ppm2 3.960 CV 1
ASSI { 1320}
( segid "B " and resid 19 and name HG2%)
(( segid "B " and resid 19 and name HB ))
2.100 .500 .500 peak 1320 spectrum 1 weight .10000E+01 volume .66884E-02 ppm1 .804 ppm2 2.152 CV 1
ASSI { 1321}
( segid "B " and resid 19 and name HG2%)
(( segid "B " and resid 18 and name HB3 ))
2.500 2.500 3.500 peak 1321 spectrum 1 weight .10000E+01 volume .22134E-02 ppm1 .804 ppm2 1.888 CV 1
ASSI { 1333}
( segid "B " and resid 26 and name HG2%)
(( segid "B " and resid 26 and name HA ))
2.400 .700 .700 peak 1333 spectrum 1 weight .10000E+01 volume .29825E-02 ppm1 .642 ppm2 2.694 CV 1
ASSI { 1337}
(( segid "B " and resid 43 and name HB3 ))
(( segid "B " and resid 43 and name HB2 ))
1.400 .300 .800 peak 1337 spectrum 1 weight .10000E+01 volume .66587E-01 ppm1 3.918 ppm2 3.891 CV 1
ASSI { 1491}
( segid "B " and resid 26 and name HG2%)
(( segid "B " and resid 26 and name HG12))
2.200 .600 .600 peak 1491 spectrum 1 weight .10000E+01 volume .52103E-02 ppm1 .746 ppm2 .938 CV 1
ASSI { 1496}
(( segid "B " and resid 26 and name HG12))
( segid "B " and resid 26 and name HD1%)
2.100 .500 .500 peak 1496 spectrum 1 weight .10000E+01 volume .73905E-02 ppm1 .972 ppm2 .727 CV 1
ASSI { 1513}
(( segid "B " and resid 68 and name HG2 ))
(( segid "B " and resid 68 and name HB3 ))
2.800 1.000 1.000 peak 1513 spectrum 1 weight .10000E+01 volume .10834E-02 ppm1 1.402 ppm2 2.097 CV 1
ASSI { 1525}
(( segid "B " and resid 68 and name HD3 ))
(( segid "B " and resid 68 and name HG3 ))
3.000 1.100 1.100 peak 1525 spectrum 1 weight .10000E+01 volume .83130E-03 ppm1 3.989 ppm2 1.596 CV 1
ASSI { 1529}
(( segid "B " and resid 10 and name HB2 ))
( segid "B " and resid 10 and name HD% )
2.800 1.000 1.000 peak 1529 spectrum 1 weight .10000E+01 volume .11800E-02 ppm1 3.281 ppm2 6.971 CV 1
ASSI { 1530}
(( segid "B " and resid 10 and name HB3 ))
( segid "B " and resid 10 and name HD% )
2.800 1.000 1.000 peak 1530 spectrum 1 weight .10000E+01 volume .10681E-02 ppm1 2.772 ppm2 6.975 CV 1
ASSI { 1565}
(( segid "B " and resid 14 and name HB ))
(( segid "B " and resid 14 and name HG12))
2.800 1.000 1.000 peak 1565 spectrum 1 weight .10000E+01 volume .10622E-02 ppm1 1.910 ppm2 1.177 CV 1
ASSI { 1566}
(( segid "B " and resid 14 and name HB ))
(( segid "B " and resid 14 and name HG13))
2.700 .900 .900 peak 1566 spectrum 1 weight .10000E+01 volume .14392E-02 ppm1 1.910 ppm2 1.036 CV 1
ASSI { 1568}
(( segid "B " and resid 62 and name HA ))
( segid "B " and resid 62 and name HD% )
2.700 .900 .900 peak 1568 spectrum 1 weight .10000E+01 volume .13900E-02 ppm1 3.977 ppm2 6.416 CV 1
ASSI { 1632}
( segid "B " and resid 13 and name HB% )
(( segid "B " and resid 13 and name HA ))
2.000 .500 .500 peak 1632 spectrum 1 weight .10000E+01 volume .80657E-02 ppm1 1.383 ppm2 3.839 CV 1
ASSI { 1640}
(( segid "B " and resid 99 and name HB ))
(( segid "B " and resid 99 and name HG1 ))
2.100 .500 .500 peak 1640 spectrum 1 weight .10000E+01 volume .73872E-02 ppm1 4.232 ppm2 1.217 CV 1
ASSI { 1643}
(( segid "B " and resid 3 and name HB2 ))
(( segid "B " and resid 3 and name HB3 ))
2.300 .600 .600 peak 1643 spectrum 1 weight .10000E+01 volume .40447E-02 ppm1 .938 ppm2 1.173 CV 1
ASSI { 1652}
(( segid "B " and resid 3 and name HB3 ))
(( segid "B " and resid 3 and name HG2 ))
2.700 .900 .900 peak 1652 spectrum 1 weight .10000E+01 volume .13494E-02 ppm1 1.198 ppm2 .353 CV 1
ASSI { 1683}
( segid "B " and resid 91 and name HB% )
(( segid "B " and resid 91 and name HA ))
1.900 .400 .400 peak 1683 spectrum 1 weight .10000E+01 volume .13612E-01 ppm1 1.645 ppm2 4.192 CV 1
ASSI { 1692}
( segid "B " and resid 93 and name HB% )
(( segid "B " and resid 93 and name HA ))
2.000 .500 .500 peak 1692 spectrum 1 weight .10000E+01 volume .98937E-02 ppm1 1.778 ppm2 4.328 CV 1
ASSI { 1700}
( segid "B " and resid 13 and name HB% )
( segid "B " and resid 14 and name HD1%)
2.100 2.100 3.900 peak 1700 spectrum 1 weight .10000E+01 volume .72779E-02 ppm1 1.383 ppm2 .621 CV 1
ASSI { 1711}
(( segid "B " and resid 68 and name HG2 ))
(( segid "B " and resid 68 and name HA ))
3.100 1.200 1.200 peak 1711 spectrum 1 weight .10000E+01 volume .58295E-03 ppm1 1.404 ppm2 4.321 CV 1
ASSI { 1736}
(( segid "B " and resid 81 and name HB2 ))
(( segid "B " and resid 81 and name HB3 ))
2.500 .800 .800 peak 1736 spectrum 1 weight .10000E+01 volume .23405E-02 ppm1 2.954 ppm2 3.056 CV 1
ASSI { 1738}
(( segid "B " and resid 81 and name HB3 ))
(( segid "B " and resid 81 and name HA ))
2.700 .900 .900 peak 1738 spectrum 1 weight .10000E+01 volume .13070E-02 ppm1 3.090 ppm2 4.316 CV 1
ASSI { 1739}
(( segid "B " and resid 81 and name HB2 ))
(( segid "B " and resid 81 and name HA ))
2.700 .900 .900 peak 1739 spectrum 1 weight .10000E+01 volume .14434E-02 ppm1 2.960 ppm2 4.317 CV 1
ASSI { 1768}
(( segid "B " and resid 17 and name HB2 ))
(( segid "B " and resid 17 and name HA ))
2.500 .800 .800 peak 1768 spectrum 1 weight .10000E+01 volume .22032E-02 ppm1 1.587 ppm2 4.320 CV 1
ASSI { 1775}
(( segid "B " and resid 17 and name HB2 ))
( segid "B " and resid 17 and name HD1%)
2.400 .700 .700 peak 1775 spectrum 1 weight .10000E+01 volume .31807E-02 ppm1 1.586 ppm2 .727 CV 1
ASSI { 851}
( segid "A " and resid 86 and name HG1%)
(( segid "A " and resid 86 and name HA ))
2.400 .700 .700 peak 851 spectrum 1 weight .10000E+01 volume .26826E-02 ppm1 1.020 ppm2 3.234 CV 1
ASSI { 859}
( segid "A " and resid 86 and name HG1%)
( segid "A " and resid 85 and name HG2%)
2.500 2.500 3.500 peak 859 spectrum 1 weight .10000E+01 volume .23209E-02 ppm1 1.020 ppm2 -.095 CV 1
ASSI { 900}
( segid "A " and resid 86 and name HG1%)
(( segid "A " and resid 89 and name HE3 ))
2.600 2.600 3.400 peak 900 spectrum 1 weight .10000E+01 volume .18279E-02 ppm1 1.020 ppm2 6.484 CV 1
ASSI { 851}
( segid "B " and resid 86 and name HG1%)
(( segid "B " and resid 86 and name HA ))
2.400 .700 .700 peak 851 spectrum 1 weight .10000E+01 volume .26826E-02 ppm1 1.020 ppm2 3.234 CV 1
ASSI { 859}
( segid "B " and resid 86 and name HG1%)
( segid "B " and resid 85 and name HG2%)
2.500 2.500 3.500 peak 859 spectrum 1 weight .10000E+01 volume .23209E-02 ppm1 1.020 ppm2 -.095 CV 1
ASSI { 900}
( segid "B " and resid 86 and name HG1%)
(( segid "B " and resid 89 and name HE3 ))
2.600 2.600 3.400 peak 900 spectrum 1 weight .10000E+01 volume .18279E-02 ppm1 1.020 ppm2 6.484 CV 1
ASSI { 4}
(( segid "A " and resid 84 and name HB2 ))
( segid "A " and resid 84 and name HD% )
2.700 .900 .900 peak 4 spectrum 1 weight .10000E+01 volume .40225E-02 ppm1 3.010 ppm2 7.060 CV 1
ASSI { 5}
(( segid "A " and resid 84 and name HB3 ))
( segid "A " and resid 84 and name HD% )
2.700 .900 .900 peak 5 spectrum 1 weight .10000E+01 volume .40007E-02 ppm1 3.084 ppm2 7.060 CV 1
ASSI { 8}
(( segid "A " and resid 10 and name HA ))
( segid "A " and resid 10 and name HD% )
2.900 1.000 1.000 peak 8 spectrum 1 weight .10000E+01 volume .26811E-02 ppm1 3.739 ppm2 6.991 CV 1
ASSI { 21}
( segid "A " and resid 58 and name HG1%)
( segid "A " and resid 10 and name HD% )
2.600 .800 .800 peak 21 spectrum 1 weight .10000E+01 volume .50693E-02 ppm1 .634 ppm2 6.991 CV 1
ASSI { 26}
( segid "A " and resid 58 and name HG1%)
( segid "A " and resid 10 and name HE% )
2.600 .900 .900 peak 26 spectrum 1 weight .10000E+01 volume .46103E-02 ppm1 .640 ppm2 7.142 CV 1
ASSI { 27}
( segid "A " and resid 58 and name HG1%)
(( segid "A " and resid 59 and name HE3 ))
3.100 1.200 1.200 peak 27 spectrum 1 weight .10000E+01 volume .15511E-02 ppm1 .635 ppm2 7.218 CV 1
ASSI { 92}
( segid "A " and resid 10 and name HE% )
( segid "A " and resid 10 and name HD% )
2.300 .700 .700 peak 92 spectrum 1 weight .10000E+01 volume .94101E-02 ppm1 7.139 ppm2 6.992 CV 1
ASSI { 94}
(( segid "A " and resid 10 and name HZ ))
( segid "A " and resid 10 and name HD% )
3.000 1.200 1.200 peak 94 spectrum 1 weight .10000E+01 volume .18148E-02 ppm1 7.579 ppm2 6.992 CV 1
ASSI { 96}
(( segid "A " and resid 59 and name HZ3 ))
(( segid "A " and resid 59 and name HH2 ))
2.500 .800 .800 peak 96 spectrum 1 weight .10000E+01 volume .54650E-02 ppm1 6.760 ppm2 7.310 CV 1
ASSI { 99}
(( segid "A " and resid 59 and name HH2 ))
(( segid "A " and resid 59 and name HZ2 ))
2.200 .600 .600 peak 99 spectrum 1 weight .10000E+01 volume .11830E-01 ppm1 7.310 ppm2 7.605 CV 1
ASSI { 107}
( segid "A " and resid 62 and name HD% )
( segid "A " and resid 62 and name HE% )
2.200 .600 .600 peak 107 spectrum 1 weight .10000E+01 volume .13535E-01 ppm1 6.441 ppm2 7.098 CV 1
ASSI { 164}
(( segid "A " and resid 81 and name HD2 ))
(( segid "A " and resid 81 and name HE1 ))
3.100 1.200 1.200 peak 164 spectrum 1 weight .10000E+01 volume .17232E-02 ppm1 7.874 ppm2 7.047 CV 1
ASSI { 166}
(( segid "A " and resid 89 and name HZ2 ))
(( segid "A " and resid 89 and name HH2 ))
2.300 .700 .700 peak 166 spectrum 1 weight .10000E+01 volume .89812E-02 ppm1 7.466 ppm2 6.855 CV 1
ASSI { 171}
(( segid "A " and resid 59 and name HE3 ))
(( segid "A " and resid 59 and name HZ3 ))
2.600 .800 .800 peak 171 spectrum 1 weight .10000E+01 volume .50890E-02 ppm1 7.223 ppm2 6.765 CV 1
ASSI { 308}
(( segid "A " and resid 59 and name HZ3 ))
( segid "A " and resid 5 and name HD1%)
2.900 1.000 1.000 peak 308 spectrum 1 weight .10000E+01 volume .26366E-02 ppm1 6.759 ppm2 .036 CV 1
ASSI { 321}
( segid "A " and resid 62 and name HD% )
(( segid "A " and resid 63 and name HA ))
3.200 1.300 1.300 peak 321 spectrum 1 weight .10000E+01 volume .13011E-02 ppm1 6.439 ppm2 3.379 CV 1
ASSI { 323}
( segid "A " and resid 62 and name HD% )
( segid "A " and resid 5 and name HD1%)
2.900 1.100 1.100 peak 323 spectrum 1 weight .10000E+01 volume .23003E-02 ppm1 6.438 ppm2 .036 CV 1
ASSI { 325}
(( segid "A " and resid 10 and name HZ ))
( segid "A " and resid 10 and name HE% )
2.400 .700 .700 peak 325 spectrum 1 weight .10000E+01 volume .70060E-02 ppm1 7.580 ppm2 7.139 CV 1
ASSI { 374}
( segid "A " and resid 71 and name HE% )
( segid "A " and resid 71 and name HD% )
1.900 .500 .500 peak 374 spectrum 1 weight .10000E+01 volume .26731E-01 ppm1 7.155 ppm2 7.282 CV 1
ASSI { 415}
( segid "A " and resid 85 and name HD1%)
( segid "A " and resid 85 and name HG2%)
2.400 .700 .700 peak 415 spectrum 1 weight .10000E+01 volume .80916E-02 ppm1 .776 ppm2 .086 CV 1
ASSI { 416}
(( segid "A " and resid 85 and name HB ))
( segid "A " and resid 85 and name HG2%)
2.500 .800 .800 peak 416 spectrum 1 weight .10000E+01 volume .52945E-02 ppm1 1.701 ppm2 .086 CV 1
ASSI { 4}
(( segid "B " and resid 84 and name HB2 ))
( segid "B " and resid 84 and name HD% )
2.700 .900 .900 peak 4 spectrum 1 weight .10000E+01 volume .40225E-02 ppm1 3.010 ppm2 7.060 CV 1
ASSI { 5}
(( segid "B " and resid 84 and name HB3 ))
( segid "B " and resid 84 and name HD% )
2.700 .900 .900 peak 5 spectrum 1 weight .10000E+01 volume .40007E-02 ppm1 3.084 ppm2 7.060 CV 1
ASSI { 8}
(( segid "B " and resid 10 and name HA ))
( segid "B " and resid 10 and name HD% )
2.900 1.000 1.000 peak 8 spectrum 1 weight .10000E+01 volume .26811E-02 ppm1 3.739 ppm2 6.991 CV 1
ASSI { 21}
( segid "B " and resid 58 and name HG1%)
( segid "B " and resid 10 and name HD% )
2.600 .800 .800 peak 21 spectrum 1 weight .10000E+01 volume .50693E-02 ppm1 .634 ppm2 6.991 CV 1
ASSI { 26}
( segid "B " and resid 58 and name HG1%)
( segid "B " and resid 10 and name HE% )
2.600 .900 .900 peak 26 spectrum 1 weight .10000E+01 volume .46103E-02 ppm1 .640 ppm2 7.142 CV 1
ASSI { 27}
( segid "B " and resid 58 and name HG1%)
(( segid "B " and resid 59 and name HE3 ))
3.100 1.200 1.200 peak 27 spectrum 1 weight .10000E+01 volume .15511E-02 ppm1 .635 ppm2 7.218 CV 1
ASSI { 92}
( segid "B " and resid 10 and name HE% )
( segid "B " and resid 10 and name HD% )
2.300 .700 .700 peak 92 spectrum 1 weight .10000E+01 volume .94101E-02 ppm1 7.139 ppm2 6.992 CV 1
ASSI { 94}
(( segid "B " and resid 10 and name HZ ))
( segid "B " and resid 10 and name HD% )
3.000 1.200 1.200 peak 94 spectrum 1 weight .10000E+01 volume .18148E-02 ppm1 7.579 ppm2 6.992 CV 1
ASSI { 96}
(( segid "B " and resid 59 and name HZ3 ))
(( segid "B " and resid 59 and name HH2 ))
2.500 .800 .800 peak 96 spectrum 1 weight .10000E+01 volume .54650E-02 ppm1 6.760 ppm2 7.310 CV 1
ASSI { 99}
(( segid "B " and resid 59 and name HH2 ))
(( segid "B " and resid 59 and name HZ2 ))
2.200 .600 .600 peak 99 spectrum 1 weight .10000E+01 volume .11830E-01 ppm1 7.310 ppm2 7.605 CV 1
ASSI { 107}
( segid "B " and resid 62 and name HD% )
( segid "B " and resid 62 and name HE% )
2.200 .600 .600 peak 107 spectrum 1 weight .10000E+01 volume .13535E-01 ppm1 6.441 ppm2 7.098 CV 1
ASSI { 164}
(( segid "B " and resid 81 and name HD2 ))
(( segid "B " and resid 81 and name HE1 ))
3.100 1.200 1.200 peak 164 spectrum 1 weight .10000E+01 volume .17232E-02 ppm1 7.874 ppm2 7.047 CV 1
ASSI { 166}
(( segid "B " and resid 89 and name HZ2 ))
(( segid "B " and resid 89 and name HH2 ))
2.300 .700 .700 peak 166 spectrum 1 weight .10000E+01 volume .89812E-02 ppm1 7.466 ppm2 6.855 CV 1
ASSI { 171}
(( segid "B " and resid 59 and name HE3 ))
(( segid "B " and resid 59 and name HZ3 ))
2.600 .800 .800 peak 171 spectrum 1 weight .10000E+01 volume .50890E-02 ppm1 7.223 ppm2 6.765 CV 1
ASSI { 308}
(( segid "B " and resid 59 and name HZ3 ))
( segid "B " and resid 5 and name HD1%)
2.900 1.000 1.000 peak 308 spectrum 1 weight .10000E+01 volume .26366E-02 ppm1 6.759 ppm2 .036 CV 1
ASSI { 321}
( segid "B " and resid 62 and name HD% )
(( segid "B " and resid 63 and name HA ))
3.200 1.300 1.300 peak 321 spectrum 1 weight .10000E+01 volume .13011E-02 ppm1 6.439 ppm2 3.379 CV 1
ASSI { 323}
( segid "B " and resid 62 and name HD% )
( segid "B " and resid 5 and name HD1%)
2.900 1.100 1.100 peak 323 spectrum 1 weight .10000E+01 volume .23003E-02 ppm1 6.438 ppm2 .036 CV 1
ASSI { 325}
(( segid "B " and resid 10 and name HZ ))
( segid "B " and resid 10 and name HE% )
2.400 .700 .700 peak 325 spectrum 1 weight .10000E+01 volume .70060E-02 ppm1 7.580 ppm2 7.139 CV 1
ASSI { 374}
( segid "B " and resid 71 and name HE% )
( segid "B " and resid 71 and name HD% )
1.900 .500 .500 peak 374 spectrum 1 weight .10000E+01 volume .26731E-01 ppm1 7.155 ppm2 7.282 CV 1
ASSI { 415}
( segid "B " and resid 85 and name HD1%)
( segid "B " and resid 85 and name HG2%)
2.400 .700 .700 peak 415 spectrum 1 weight .10000E+01 volume .80916E-02 ppm1 .776 ppm2 .086 CV 1
ASSI { 416}
(( segid "B " and resid 85 and name HB ))
( segid "B " and resid 85 and name HG2%)
2.500 .800 .800 peak 416 spectrum 1 weight .10000E+01 volume .52945E-02 ppm1 1.701 ppm2 .086 CV 1
ASSI { 29}
( segid "A " and resid 58 and name HG2%)
( segid "A " and resid 10 and name HE% )
2.900 1.000 1.000 peak 29 spectrum 1 weight .10000E+01 volume .12123E-02 ppm1 .773 ppm2 7.139 CV 1
ASSI { 34}
( segid "A " and resid 58 and name HG2%)
(( segid "A " and resid 10 and name HZ ))
3.100 1.200 1.200 peak 34 spectrum 1 weight .10000E+01 volume .72720E-03 ppm1 .774 ppm2 7.577 CV 1
ASSI { 162}
( segid "A " and resid 84 and name HD% )
( segid "A " and resid 84 and name HE% )
1.900 .400 .400 peak 162 spectrum 1 weight .10000E+01 volume .15166E-01 ppm1 7.055 ppm2 6.780 CV 1
ASSI { 182}
(( segid "A " and resid 10 and name HZ ))
(( segid "A " and resid 24 and name HA ))
3.200 1.300 1.300 peak 182 spectrum 1 weight .10000E+01 volume .68261E-03 ppm1 7.579 ppm2 3.570 CV 1
ASSI { 183}
(( segid "A " and resid 10 and name HZ ))
( segid "A " and resid 27 and name HB% )
3.100 1.200 1.200 peak 183 spectrum 1 weight .10000E+01 volume .79032E-03 ppm1 7.579 ppm2 1.659 CV 1
ASSI { 193}
(( segid "A " and resid 59 and name HH2 ))
( segid "A " and resid 5 and name HD1%)
3.400 1.400 1.400 peak 193 spectrum 1 weight .10000E+01 volume .46542E-03 ppm1 7.307 ppm2 .035 CV 1
ASSI { 223}
( segid "A " and resid 10 and name HE% )
(( segid "A " and resid 28 and name HA ))
3.200 1.300 1.300 peak 223 spectrum 1 weight .10000E+01 volume .60423E-03 ppm1 7.144 ppm2 2.886 CV 1
ASSI { 230}
( segid "A " and resid 10 and name HE% )
( segid "A " and resid 14 and name HG2%)
3.300 1.400 1.400 peak 230 spectrum 1 weight .10000E+01 volume .49844E-03 ppm1 7.140 ppm2 .271 CV 1
ASSI { 234}
(( segid "A " and resid 89 and name HD1 ))
(( segid "A " and resid 89 and name HA ))
2.700 .900 .900 peak 234 spectrum 1 weight .10000E+01 volume .16920E-02 ppm1 7.137 ppm2 4.750 CV 1
ASSI { 248}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 62 and name HA ))
3.300 1.400 1.400 peak 248 spectrum 1 weight .10000E+01 volume .49015E-03 ppm1 7.099 ppm2 3.963 CV 1
ASSI { 249}
( segid "A " and resid 62 and name HE% )
(( segid "A " and resid 9 and name HA ))
3.200 1.300 1.300 peak 249 spectrum 1 weight .10000E+01 volume .59554E-03 ppm1 7.095 ppm2 4.155 CV 1
ASSI { 255}
( segid "A " and resid 84 and name HD% )
(( segid "A " and resid 84 and name HA ))
2.700 .900 .900 peak 255 spectrum 1 weight .10000E+01 volume .17582E-02 ppm1 7.063 ppm2 4.033 CV 1
ASSI { 266}
( segid "A " and resid 10 and name HD% )
(( segid "A " and resid 7 and name HA ))
3.200 1.300 1.300 peak 266 spectrum 1 weight .10000E+01 volume .65249E-03 ppm1 6.992 ppm2 4.052 CV 1
ASSI { 267}
( segid "A " and resid 10 and name HD% )
(( segid "A " and resid 11 and name HA ))
3.300 1.400 1.400 peak 267 spectrum 1 weight .10000E+01 volume .50828E-03 ppm1 6.991 ppm2 3.795 CV 1
ASSI { 271}
( segid "A " and resid 10 and name HD% )
( segid "A " and resid 58 and name HG2%)
3.300 1.400 1.400 peak 271 spectrum 1 weight .10000E+01 volume .49285E-03 ppm1 6.990 ppm2 .771 CV 1
ASSI { 275}
( segid "A " and resid 10 and name HD% )
( segid "A " and resid 27 and name HB% )
3.400 1.400 1.400 peak 275 spectrum 1 weight .10000E+01 volume .47392E-03 ppm1 6.989 ppm2 1.660 CV 1
ASSI { 297}
( segid "A " and resid 84 and name HE% )
(( segid "A " and resid 84 and name HB3 ))
3.300 1.400 1.400 peak 297 spectrum 1 weight .10000E+01 volume .52720E-03 ppm1 6.787 ppm2 3.078 CV 1
ASSI { 303}
(( segid "A " and resid 59 and name HZ3 ))
(( segid "A " and resid 4 and name HA ))
3.200 1.200 1.200 peak 303 spectrum 1 weight .10000E+01 volume .69959E-03 ppm1 6.762 ppm2 5.035 CV 1
ASSI { 366}
( segid "A " and resid 32 and name HG1%)
(( segid "A " and resid 10 and name HB3 ))
3.500 1.500 1.500 peak 366 spectrum 1 weight .10000E+01 volume .39208E-03 ppm1 .432 ppm2 3.279 CV 1
ASSI { 385}
(( segid "A " and resid 10 and name HZ ))
(( segid "A " and resid 28 and name HA ))
3.500 1.600 1.600 peak 385 spectrum 1 weight .10000E+01 volume .35809E-03 ppm1 7.573 ppm2 2.885 CV 1
ASSI { 438}
(( segid "A " and resid 67 and name HA ))
(( segid "A " and resid 68 and name HD2 ))
2.900 1.100 1.100 peak 438 spectrum 1 weight .10000E+01 volume .10874E-02 ppm1 4.460 ppm2 3.545 CV 1
ASSI { 29}
( segid "B " and resid 58 and name HG2%)
( segid "B " and resid 10 and name HE% )
2.900 1.000 1.000 peak 29 spectrum 1 weight .10000E+01 volume .12123E-02 ppm1 .773 ppm2 7.139 CV 1
ASSI { 34}
( segid "B " and resid 58 and name HG2%)
(( segid "B " and resid 10 and name HZ ))
3.100 1.200 1.200 peak 34 spectrum 1 weight .10000E+01 volume .72720E-03 ppm1 .774 ppm2 7.577 CV 1
ASSI { 162}
( segid "B " and resid 84 and name HD% )
( segid "B " and resid 84 and name HE% )
1.900 .400 .400 peak 162 spectrum 1 weight .10000E+01 volume .15166E-01 ppm1 7.055 ppm2 6.780 CV 1
ASSI { 182}
(( segid "B " and resid 10 and name HZ ))
(( segid "B " and resid 24 and name HA ))
3.200 1.300 1.300 peak 182 spectrum 1 weight .10000E+01 volume .68261E-03 ppm1 7.579 ppm2 3.570 CV 1
ASSI { 183}
(( segid "B " and resid 10 and name HZ ))
( segid "B " and resid 27 and name HB% )
3.100 1.200 1.200 peak 183 spectrum 1 weight .10000E+01 volume .79032E-03 ppm1 7.579 ppm2 1.659 CV 1
ASSI { 193}
(( segid "B " and resid 59 and name HH2 ))
( segid "B " and resid 5 and name HD1%)
3.400 1.400 1.400 peak 193 spectrum 1 weight .10000E+01 volume .46542E-03 ppm1 7.307 ppm2 .035 CV 1
ASSI { 223}
( segid "B " and resid 10 and name HE% )
(( segid "B " and resid 28 and name HA ))
3.200 1.300 1.300 peak 223 spectrum 1 weight .10000E+01 volume .60423E-03 ppm1 7.144 ppm2 2.886 CV 1
ASSI { 230}
( segid "B " and resid 10 and name HE% )
( segid "B " and resid 14 and name HG2%)
3.300 1.400 1.400 peak 230 spectrum 1 weight .10000E+01 volume .49844E-03 ppm1 7.140 ppm2 .271 CV 1
ASSI { 234}
(( segid "B " and resid 89 and name HD1 ))
(( segid "B " and resid 89 and name HA ))
2.700 .900 .900 peak 234 spectrum 1 weight .10000E+01 volume .16920E-02 ppm1 7.137 ppm2 4.750 CV 1
ASSI { 248}
( segid "B " and resid 62 and name HE% )
(( segid "B " and resid 62 and name HA ))
3.300 1.400 1.400 peak 248 spectrum 1 weight .10000E+01 volume .49015E-03 ppm1 7.099 ppm2 3.963 CV 1
ASSI { 249}
( segid "B " and resid 62 and name HE% )
(( segid "B " and resid 9 and name HA ))
3.200 1.300 1.300 peak 249 spectrum 1 weight .10000E+01 volume .59554E-03 ppm1 7.095 ppm2 4.155 CV 1
ASSI { 255}
( segid "B " and resid 84 and name HD% )
(( segid "B " and resid 84 and name HA ))
2.700 .900 .900 peak 255 spectrum 1 weight .10000E+01 volume .17582E-02 ppm1 7.063 ppm2 4.033 CV 1
ASSI { 266}
( segid "B " and resid 10 and name HD% )
(( segid "B " and resid 7 and name HA ))
3.200 1.300 1.300 peak 266 spectrum 1 weight .10000E+01 volume .65249E-03 ppm1 6.992 ppm2 4.052 CV 1
ASSI { 267}
( segid "B " and resid 10 and name HD% )
(( segid "B " and resid 11 and name HA ))
3.300 1.400 1.400 peak 267 spectrum 1 weight .10000E+01 volume .50828E-03 ppm1 6.991 ppm2 3.795 CV 1
ASSI { 271}
( segid "B " and resid 10 and name HD% )
( segid "B " and resid 58 and name HG2%)
3.300 1.400 1.400 peak 271 spectrum 1 weight .10000E+01 volume .49285E-03 ppm1 6.990 ppm2 .771 CV 1
ASSI { 275}
( segid "B " and resid 10 and name HD% )
( segid "B " and resid 27 and name HB% )
3.400 1.400 1.400 peak 275 spectrum 1 weight .10000E+01 volume .47392E-03 ppm1 6.989 ppm2 1.660 CV 1
ASSI { 297}
( segid "B " and resid 84 and name HE% )
(( segid "B " and resid 84 and name HB3 ))
3.300 1.400 1.400 peak 297 spectrum 1 weight .10000E+01 volume .52720E-03 ppm1 6.787 ppm2 3.078 CV 1
ASSI { 303}
(( segid "B " and resid 59 and name HZ3 ))
(( segid "B " and resid 4 and name HA ))
3.200 1.200 1.200 peak 303 spectrum 1 weight .10000E+01 volume .69959E-03 ppm1 6.762 ppm2 5.035 CV 1
ASSI { 366}
( segid "B " and resid 32 and name HG1%)
(( segid "B " and resid 10 and name HB3 ))
3.500 1.500 1.500 peak 366 spectrum 1 weight .10000E+01 volume .39208E-03 ppm1 .432 ppm2 3.279 CV 1
ASSI { 385}
(( segid "B " and resid 10 and name HZ ))
(( segid "B " and resid 28 and name HA ))
3.500 1.600 1.600 peak 385 spectrum 1 weight .10000E+01 volume .35809E-03 ppm1 7.573 ppm2 2.885 CV 1
ASSI { 438}
(( segid "B " and resid 67 and name HA ))
(( segid "B " and resid 68 and name HD2 ))
2.900 1.100 1.100 peak 438 spectrum 1 weight .10000E+01 volume .10874E-02 ppm1 4.460 ppm2 3.545 CV 1
ASSI { 2}
(( segid "A " and resid 62 and name HB2 ))
( segid "A " and resid 62 and name HD% )
2.600 .800 .800 peak 2 spectrum 1 weight .10000E+01 volume -.53510E+06 ppm1 2.695 ppm2 6.441 CV 1
ASSI { 3}
(( segid "A " and resid 62 and name HB3 ))
( segid "A " and resid 62 and name HD% )
2.600 .800 .800 peak 3 spectrum 1 weight .10000E+01 volume -.46920E+06 ppm1 2.895 ppm2 6.440 CV 1
ASSI { 2}
(( segid "B " and resid 62 and name HB2 ))
( segid "B " and resid 62 and name HD% )
2.600 .800 .800 peak 2 spectrum 1 weight .10000E+01 volume -.53510E+06 ppm1 2.695 ppm2 6.441 CV 1
ASSI { 3}
(( segid "B " and resid 62 and name HB3 ))
( segid "B " and resid 62 and name HD% )
2.600 .800 .800 peak 3 spectrum 1 weight .10000E+01 volume -.46920E+06 ppm1 2.895 ppm2 6.440 CV 1
ASSI { 86}
(( segid "A " and resid 15 and name HN ))
(( segid "A " and resid 11 and name HA ))
3.500 1.500 1.500 peak 86 spectrum 1 weight .10000E+01 volume .44018E-03 ppm1 7.160 ppm2 3.797 CV 1
ASSI { 200}
(( segid "A " and resid 39 and name HN ))
(( segid "A " and resid 36 and name HB3 ))
2.900 2.900 3.100 peak 200 spectrum 1 weight .10000E+01 volume .12582E-02 ppm1 7.325 ppm2 1.972 CV 1
ASSI { 266}
(( segid "A " and resid 42 and name HN ))
( segid "A " and resid 51 and name HG2%)
3.400 1.500 1.500 peak 266 spectrum 1 weight .10000E+01 volume .49834E-03 ppm1 7.811 ppm2 .991 CV 1
ASSI { 288}
(( segid "A " and resid 97 and name HE21))
(( segid "A " and resid 94 and name HG2 ))
3.500 1.600 1.600 peak 288 spectrum 1 weight .10000E+01 volume .40008E-03 ppm1 7.067 ppm2 1.765 CV 1
ASSI { 483}
(( segid "A " and resid 35 and name HN ))
( segid "A " and resid 30 and name HG2%)
3.300 1.400 1.400 peak 483 spectrum 1 weight .10000E+01 volume .60725E-03 ppm1 8.564 ppm2 1.004 CV 1
ASSI { 605}
(( segid "A " and resid 98 and name HN ))
(( segid "A " and resid 95 and name HA ))
2.400 .700 .700 peak 605 spectrum 1 weight .10000E+01 volume .40779E-02 ppm1 8.138 ppm2 4.233 CV 1
ASSI { 1013}
(( segid "A " and resid 31 and name HN ))
( segid "A " and resid 30 and name HG1%)
2.900 1.100 1.100 peak 1013 spectrum 1 weight .10000E+01 volume .11972E-02 ppm1 8.957 ppm2 .912 CV 1
ASSI { 1072}
(( segid "A " and resid 52 and name HN ))
( segid "A " and resid 51 and name HG2%)
2.900 1.000 1.000 peak 1072 spectrum 1 weight .10000E+01 volume .14204E-02 ppm1 8.329 ppm2 .992 CV 1
ASSI { 1291}
(( segid "A " and resid 92 and name HN ))
(( segid "A " and resid 90 and name HN ))
3.200 1.300 1.300 peak 1291 spectrum 1 weight .10000E+01 volume .78093E-03 ppm1 8.814 ppm2 8.891 CV 1
ASSI { 1406}
(( segid "A " and resid 90 and name HN ))
( segid "B " and resid 76 and name HB% )
2.800 2.800 3.200 peak 1406 spectrum 1 weight .10000E+01 volume .14967E-02 ppm1 8.888 ppm2 1.106 CV 1
ASSI { 1410}
(( segid "A " and resid 89 and name HN ))
(( segid "A " and resid 86 and name HA ))
3.000 1.100 1.100 peak 1410 spectrum 1 weight .10000E+01 volume .10371E-02 ppm1 8.888 ppm2 3.251 CV 1
ASSI { 86}
(( segid "B " and resid 15 and name HN ))
(( segid "B " and resid 11 and name HA ))
3.500 1.500 1.500 peak 86 spectrum 1 weight .10000E+01 volume .44018E-03 ppm1 7.160 ppm2 3.797 CV 1
ASSI { 200}
(( segid "B " and resid 39 and name HN ))
(( segid "B " and resid 36 and name HB3 ))
2.900 2.900 3.100 peak 200 spectrum 1 weight .10000E+01 volume .12582E-02 ppm1 7.325 ppm2 1.972 CV 1
ASSI { 266}
(( segid "B " and resid 42 and name HN ))
( segid "B " and resid 51 and name HG2%)
3.400 1.500 1.500 peak 266 spectrum 1 weight .10000E+01 volume .49834E-03 ppm1 7.811 ppm2 .991 CV 1
ASSI { 288}
(( segid "B " and resid 97 and name HE21))
(( segid "B " and resid 94 and name HG2 ))
3.500 1.600 1.600 peak 288 spectrum 1 weight .10000E+01 volume .40008E-03 ppm1 7.067 ppm2 1.765 CV 1
ASSI { 483}
(( segid "B " and resid 35 and name HN ))
( segid "B " and resid 30 and name HG2%)
3.300 1.400 1.400 peak 483 spectrum 1 weight .10000E+01 volume .60725E-03 ppm1 8.564 ppm2 1.004 CV 1
ASSI { 605}
(( segid "B " and resid 98 and name HN ))
(( segid "B " and resid 95 and name HA ))
2.400 .700 .700 peak 605 spectrum 1 weight .10000E+01 volume .40779E-02 ppm1 8.138 ppm2 4.233 CV 1
ASSI { 1013}
(( segid "B " and resid 31 and name HN ))
( segid "B " and resid 30 and name HG1%)
2.900 1.100 1.100 peak 1013 spectrum 1 weight .10000E+01 volume .11972E-02 ppm1 8.957 ppm2 .912 CV 1
ASSI { 1072}
(( segid "B " and resid 52 and name HN ))
( segid "B " and resid 51 and name HG2%)
2.900 1.000 1.000 peak 1072 spectrum 1 weight .10000E+01 volume .14204E-02 ppm1 8.329 ppm2 .992 CV 1
ASSI { 1291}
(( segid "B " and resid 92 and name HN ))
(( segid "B " and resid 90 and name HN ))
3.200 1.300 1.300 peak 1291 spectrum 1 weight .10000E+01 volume .78093E-03 ppm1 8.814 ppm2 8.891 CV 1
ASSI { 1406}
(( segid "B " and resid 90 and name HN ))
( segid "A " and resid 76 and name HB% )
2.800 2.800 3.200 peak 1406 spectrum 1 weight .10000E+01 volume .14967E-02 ppm1 8.888 ppm2 1.106 CV 1
ASSI { 1410}
(( segid "B " and resid 89 and name HN ))
(( segid "B " and resid 86 and name HA ))
3.000 1.100 1.100 peak 1410 spectrum 1 weight .10000E+01 volume .10371E-02 ppm1 8.888 ppm2 3.251 CV 1
ASSI { 6}
(( segid "A " and resid 76 and name HN ))
(( segid "A " and resid 75 and name HN ))
3.200 1.200 1.200 peak 6 spectrum 1 weight .10000E+01 volume .79083E-03 ppm1 9.089 ppm2 9.189 CV 1
ASSI { 6}
(( segid "B " and resid 76 and name HN ))
(( segid "B " and resid 75 and name HN ))
3.200 1.200 1.200 peak 6 spectrum 1 weight .10000E+01 volume .79083E-03 ppm1 9.089 ppm2 9.189 CV 1
ASSI { 243}
(( segid "A " and resid 35 and name HA ))
(( segid "A " and resid 4 and name HG2 ))
2.500 2.500 3.500 peak 243 spectrum 1 weight .10000E+01 volume .22735E-02 ppm1 4.459 ppm2 1.402 CV 1
ASSI { 257}
(( segid "A " and resid 3 and name HA ))
(( segid "A " and resid 3 and name HB2 ))
2.300 .700 .700 peak 257 spectrum 1 weight .10000E+01 volume .35712E-02 ppm1 3.866 ppm2 .910 CV 1
ASSI { 261}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 65 and name HD3 ))
2.300 2.300 3.700 peak 261 spectrum 1 weight .10000E+01 volume .38727E-02 ppm1 3.882 ppm2 1.632 CV 1
OR { 261}
(( segid "A " and resid 13 and name HA ))
(( segid "A " and resid 65 and name HB2 ))
ASSI { 548}
(( segid "A " and resid 23 and name HA ))
( segid "A " and resid 50 and name HB% )
2.700 2.700 3.300 peak 548 spectrum 1 weight .10000E+01 volume .13273E-02 ppm1 3.806 ppm2 1.543 CV 1
ASSI { 616}
(( segid "A " and resid 42 and name HA ))
(( segid "A " and resid 41 and name HA ))
2.500 2.500 3.500 peak 616 spectrum 1 weight .10000E+01 volume .21499E-02 ppm1 4.069 ppm2 3.975 CV 1
ASSI { 622}
(( segid "A " and resid 40 and name HA ))
(( segid "A " and resid 39 and name HG1 ))
2.900 2.900 3.100 peak 622 spectrum 1 weight .10000E+01 volume .94871E-03 ppm1 4.299 ppm2 .971 CV 1
ASSI { 624}
(( segid "A " and resid 41 and name HA ))
( segid "A " and resid 46 and name HD1%)
2.700 2.700 3.300 peak 624 spectrum 1 weight .10000E+01 volume .13383E-02 ppm1 3.972 ppm2 .718 CV 1
ASSI { 846}
(( segid "A " and resid 51 and name HB ))
(( segid "A " and resid 37 and name HA ))
2.700 2.700 3.300 peak 846 spectrum 1 weight .10000E+01 volume .16264E-02 ppm1 2.285 ppm2 3.865 CV 1
ASSI { 901}
(( segid "A " and resid 14 and name HG13))
(( segid "A " and resid 11 and name HE21))
3.000 3.000 3.000 peak 901 spectrum 1 weight .10000E+01 volume .83968E-03 ppm1 1.021 ppm2 6.840 CV 1
ASSI { 960}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 17 and name HB3 ))
2.500 .800 .800 peak 960 spectrum 1 weight .10000E+01 volume .23014E-02 ppm1 .786 ppm2 1.535 CV 1
ASSI { 1231}
( segid "A " and resid 26 and name HG2%)
( segid "A " and resid 30 and name HG1%)
2.300 .600 .600 peak 1231 spectrum 1 weight .10000E+01 volume .43022E-02 ppm1 .643 ppm2 .913 CV 1
ASSI { 1614}
( segid "A " and resid 76 and name HB% )
(( segid "B " and resid 86 and name HA ))
2.700 2.700 3.300 peak 1614 spectrum 1 weight .10000E+01 volume .15687E-02 ppm1 1.120 ppm2 3.247 CV 1
ASSI { 1691}
( segid "A " and resid 93 and name HB% )
(( segid "B " and resid 78 and name HA ))
2.600 .800 .800 peak 1691 spectrum 1 weight .10000E+01 volume .19474E-02 ppm1 1.778 ppm2 5.008 CV 1
ASSI { 1721}
(( segid "A " and resid 17 and name HG ))
(( segid "A " and resid 14 and name HB ))
2.400 2.400 3.600 peak 1721 spectrum 1 weight .10000E+01 volume .30706E-02 ppm1 1.721 ppm2 1.919 CV 1
ASSI { 243}
(( segid "B " and resid 35 and name HA ))
(( segid "B " and resid 4 and name HG2 ))
2.500 2.500 3.500 peak 243 spectrum 1 weight .10000E+01 volume .22735E-02 ppm1 4.459 ppm2 1.402 CV 1
ASSI { 257}
(( segid "B " and resid 3 and name HA ))
(( segid "B " and resid 3 and name HB2 ))
2.300 .700 .700 peak 257 spectrum 1 weight .10000E+01 volume .35712E-02 ppm1 3.866 ppm2 .910 CV 1
ASSI { 261}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 65 and name HD3 ))
2.300 2.300 3.700 peak 261 spectrum 1 weight .10000E+01 volume .38727E-02 ppm1 3.882 ppm2 1.632 CV 1
OR { 261}
(( segid "B " and resid 13 and name HA ))
(( segid "B " and resid 65 and name HB2 ))
ASSI { 548}
(( segid "B " and resid 23 and name HA ))
( segid "B " and resid 50 and name HB% )
2.700 2.700 3.300 peak 548 spectrum 1 weight .10000E+01 volume .13273E-02 ppm1 3.806 ppm2 1.543 CV 1
ASSI { 616}
(( segid "B " and resid 42 and name HA ))
(( segid "B " and resid 41 and name HA ))
2.500 2.500 3.500 peak 616 spectrum 1 weight .10000E+01 volume .21499E-02 ppm1 4.069 ppm2 3.975 CV 1
ASSI { 622}
(( segid "B " and resid 40 and name HA ))
(( segid "B " and resid 39 and name HG1 ))
2.900 2.900 3.100 peak 622 spectrum 1 weight .10000E+01 volume .94871E-03 ppm1 4.299 ppm2 .971 CV 1
ASSI { 624}
(( segid "B " and resid 41 and name HA ))
( segid "B " and resid 46 and name HD1%)
2.700 2.700 3.300 peak 624 spectrum 1 weight .10000E+01 volume .13383E-02 ppm1 3.972 ppm2 .718 CV 1
ASSI { 846}
(( segid "B " and resid 51 and name HB ))
(( segid "B " and resid 37 and name HA ))
2.700 2.700 3.300 peak 846 spectrum 1 weight .10000E+01 volume .16264E-02 ppm1 2.285 ppm2 3.865 CV 1
ASSI { 901}
(( segid "B " and resid 14 and name HG13))
(( segid "B " and resid 11 and name HE21))
3.000 3.000 3.000 peak 901 spectrum 1 weight .10000E+01 volume .83968E-03 ppm1 1.021 ppm2 6.840 CV 1
ASSI { 960}
( segid "B " and resid 19 and name HG2%)
(( segid "B " and resid 17 and name HB3 ))
2.500 .800 .800 peak 960 spectrum 1 weight .10000E+01 volume .23014E-02 ppm1 .786 ppm2 1.535 CV 1
ASSI { 1231}
( segid "B " and resid 26 and name HG2%)
( segid "B " and resid 30 and name HG1%)
2.300 .600 .600 peak 1231 spectrum 1 weight .10000E+01 volume .43022E-02 ppm1 .643 ppm2 .913 CV 1
ASSI { 1614}
( segid "B " and resid 76 and name HB% )
(( segid "A " and resid 86 and name HA ))
2.700 2.700 3.300 peak 1614 spectrum 1 weight .10000E+01 volume .15687E-02 ppm1 1.120 ppm2 3.247 CV 1
ASSI { 1691}
( segid "B " and resid 93 and name HB% )
(( segid "A " and resid 78 and name HA ))
2.600 .800 .800 peak 1691 spectrum 1 weight .10000E+01 volume .19474E-02 ppm1 1.778 ppm2 5.008 CV 1
ASSI { 1721}
(( segid "B " and resid 17 and name HG ))
(( segid "B " and resid 14 and name HB ))
2.400 2.400 3.600 peak 1721 spectrum 1 weight .10000E+01 volume .30706E-02 ppm1 1.721 ppm2 1.919 CV 1
ASSI { 686}
(( segid "A " and resid 75 and name HA ))
( segid "A " and resid 74 and name HG1%)
2.900 2.900 3.100 peak 686 spectrum 1 weight .10000E+01 volume .10105E-02 ppm1 5.530 ppm2 .869 CV 1
ASSI { 686}
(( segid "B " and resid 75 and name HA ))
( segid "B " and resid 74 and name HG1%)
2.900 2.900 3.100 peak 686 spectrum 1 weight .10000E+01 volume .10105E-02 ppm1 5.530 ppm2 .869 CV 1
ASSI { 710}
(( segid "B " and resid 21 and name HN ))
(( segid "B " and resid 19 and name HA ))
3.500 3.500 2.500 peak 710 spectrum 1 weight .10000E+01 volume .40297E-03 ppm1 8.542 ppm2 4.611 CV 1
ASSI { 710}
(( segid "A " and resid 21 and name HN ))
(( segid "A " and resid 19 and name HA ))
3.500 3.500 2.500 peak 710 spectrum 1 weight .10000E+01 volume .40297E-03 ppm1 8.542 ppm2 4.611 CV 1
ASSI { 48}
(( segid "A " and resid 74 and name HN ))
( segid "A " and resid 93 and name HB% )
3.700 3.700 2.300 peak 48 spectrum 1 weight .10000E+01 volume .30172E-03 ppm1 9.185 ppm2 1.798 CV 1
ASSI { 253}
( segid "B " and resid 84 and name HD% )
( segid "B " and resid 85 and name HG2%)
2.600 .800 .800 peak 253 spectrum 1 weight .10000E+01 volume -.31030E+06 ppm1 7.067 ppm2 -.086 CV 1
ASSI { 253}
( segid "A " and resid 84 and name HD% )
( segid "A " and resid 85 and name HG2%)
2.600 .800 .800 peak 253 spectrum 1 weight .10000E+01 volume -.31030E+06 ppm1 7.067 ppm2 -.086 CV 1
ASSI { 308}
(( segid "A " and resid 12 and name HA ))
(( segid "A " and resid 12 and name HG3 ))
2.500 .800 .800 peak 308 spectrum 1 weight .10000E+01 volume .21838E-02 ppm1 4.038 ppm2 2.386 CV 1
ASSI { 421}
(( segid "A " and resid 46 and name HA ))
( segid "A " and resid 46 and name HD1%)
2.800 1.000 1.000 peak 421 spectrum 1 weight .10000E+01 volume .12791E-02 ppm1 4.786 ppm2 .717 CV 1
ASSI { 308}
(( segid "B " and resid 12 and name HA ))
(( segid "B " and resid 12 and name HG3 ))
2.500 .800 .800 peak 308 spectrum 1 weight .10000E+01 volume .21838E-02 ppm1 4.038 ppm2 2.386 CV 1
ASSI { 421}
(( segid "B " and resid 46 and name HA ))
( segid "B " and resid 46 and name HD1%)
2.800 1.000 1.000 peak 421 spectrum 1 weight .10000E+01 volume .12791E-02 ppm1 4.786 ppm2 .717 CV 1
ASSI { 480}
(( segid "A " and resid 35 and name HN ))
(( segid "A " and resid 4 and name HB2 ))
2.900 2.900 3.100 peak 480 spectrum 1 weight .10000E+01 volume .13498E-02 ppm1 8.564 ppm2 1.622 CV 1
ASSI { 484}
(( segid "A " and resid 35 and name HN ))
( segid "A " and resid 30 and name HG1%)
3.300 1.300 1.300 peak 484 spectrum 1 weight .10000E+01 volume .64891E-03 ppm1 8.566 ppm2 .915 CV 1
ASSI { 753}
(( segid "A " and resid 51 and name HN ))
( segid "A " and resid 46 and name HD2%)
3.700 1.700 1.700 peak 753 spectrum 1 weight .10000E+01 volume .29108E-03 ppm1 7.730 ppm2 .839 CV 1
ASSI { 1012}
(( segid "A " and resid 31 and name HN ))
( segid "A " and resid 30 and name HG2%)
2.900 1.100 1.100 peak 1012 spectrum 1 weight .10000E+01 volume .12091E-02 ppm1 8.957 ppm2 1.004 CV 1
ASSI { 480}
(( segid "B " and resid 35 and name HN ))
(( segid "B " and resid 4 and name HB2 ))
2.900 2.900 3.100 peak 480 spectrum 1 weight .10000E+01 volume .13498E-02 ppm1 8.564 ppm2 1.622 CV 1
ASSI { 484}
(( segid "B " and resid 35 and name HN ))
( segid "B " and resid 30 and name HG1%)
3.300 1.300 1.300 peak 484 spectrum 1 weight .10000E+01 volume .64891E-03 ppm1 8.566 ppm2 .915 CV 1
ASSI { 753}
(( segid "B " and resid 51 and name HN ))
( segid "B " and resid 46 and name HD2%)
3.700 1.700 1.700 peak 753 spectrum 1 weight .10000E+01 volume .29108E-03 ppm1 7.730 ppm2 .839 CV 1
ASSI { 1012}
(( segid "B " and resid 31 and name HN ))
( segid "B " and resid 30 and name HG2%)
2.900 1.100 1.100 peak 1012 spectrum 1 weight .10000E+01 volume .12091E-02 ppm1 8.957 ppm2 1.004 CV 1
ASSI { 550}
(( segid "A " and resid 13 and name HN ))
(( segid "A " and resid 12 and name HG3 ))
3.500 1.500 1.500 peak 550 spectrum 1 weight .10000E+01 volume .42450E-03 ppm1 8.090 ppm2 2.398 CV 1
ASSI { 756}
(( segid "A " and resid 27 and name HN ))
( segid "A " and resid 30 and name HG2%)
3.500 1.500 1.500 peak 756 spectrum 1 weight .10000E+01 volume .45791E-03 ppm1 8.357 ppm2 1.006 CV 1
ASSI { 550}
(( segid "B " and resid 13 and name HN ))
(( segid "B " and resid 12 and name HG3 ))
3.500 1.500 1.500 peak 550 spectrum 1 weight .10000E+01 volume .42450E-03 ppm1 8.090 ppm2 2.398 CV 1
ASSI { 756}
(( segid "B " and resid 27 and name HN ))
( segid "B " and resid 30 and name HG2%)
3.500 1.500 1.500 peak 756 spectrum 1 weight .10000E+01 volume .45791E-03 ppm1 8.357 ppm2 1.006 CV 1
ASSI { 767}
(( segid "A " and resid 101 and name HA ))
(( segid "A " and resid 101 and name HG3 ))
2.300 .600 .600 peak 767 spectrum 1 weight .10000E+01 volume .40845E-02 ppm1 4.202 ppm2 1.699 CV 1
ASSI { 849}
(( segid "A " and resid 51 and name HB ))
(( segid "A " and resid 48 and name HB2 ))
2.700 2.700 3.300 peak 849 spectrum 1 weight .10000E+01 volume .15696E-02 ppm1 2.293 ppm2 1.836 CV 1
ASSI { 849}
(( segid "B " and resid 51 and name HB ))
(( segid "B " and resid 48 and name HB2 ))
2.700 2.700 3.300 peak 849 spectrum 1 weight .10000E+01 volume .15696E-02 ppm1 2.293 ppm2 1.836 CV 1
ASSI { 183}
(( segid "A " and resid 45 and name HN ))
( segid "A " and resid 46 and name HD2%)
3.200 1.200 1.200 peak 183 spectrum 1 weight .10000E+01 volume .78711E-03 ppm1 7.613 ppm2 .849 CV 1
OR { 183}
(( segid "A " and resid 45 and name HN ))
( segid "A " and resid 44 and name HD1%)
ASSI { 183}
(( segid "B " and resid 45 and name HN ))
( segid "B " and resid 46 and name HD2%)
3.200 1.200 1.200 peak 183 spectrum 1 weight .10000E+01 volume .78711E-03 ppm1 7.613 ppm2 .849 CV 1
OR { 183}
(( segid "B " and resid 45 and name HN ))
( segid "B " and resid 44 and name HD1%)
ASSI { 13}
(( segid "A " and resid 76 and name HN ))
( segid "A " and resid 77 and name HG1%)
2.800 2.800 3.200 peak 13 spectrum 1 weight .10000E+01 volume .14880E-02 ppm1 9.088 ppm2 .880 CV 1
OR { 13}
(( segid "A " and resid 76 and name HN ))
( segid "B " and resid 74 and name HG1%)
OR { 13}
(( segid "A " and resid 76 and name HN ))
( segid "A " and resid 74 and name HG1%)
ASSI { 33}
(( segid "A " and resid 18 and name HN ))
( segid "A " and resid 19 and name HG2%)
3.000 1.100 1.100 peak 33 spectrum 1 weight .10000E+01 volume .10066E-02 ppm1 8.774 ppm2 .806 CV 1
OR { 33}
(( segid "A " and resid 18 and name HN ))
( segid "A " and resid 17 and name HD2%)
ASSI { 52}
(( segid "A " and resid 74 and name HN ))
( segid "B " and resid 76 and name HB% )
3.300 1.300 1.300 peak 52 spectrum 1 weight .10000E+01 volume .64933E-03 ppm1 9.191 ppm2 1.108 CV 1
OR { 52}
(( segid "A " and resid 74 and name HN ))
(( segid "A " and resid 75 and name HG1 ))
ASSI { 153}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 41 and name HA ))
3.700 1.700 1.700 peak 153 spectrum 1 weight .10000E+01 volume .29508E-03 ppm1 7.962 ppm2 3.947 CV 1
OR { 153}
(( segid "A " and resid 47 and name HN ))
(( segid "A " and resid 45 and name HA1 ))
ASSI { 569}
(( segid "A " and resid 41 and name HN ))
( segid "A " and resid 46 and name HD2%)
3.700 1.700 1.700 peak 569 spectrum 1 weight .10000E+01 volume .31840E-03 ppm1 7.621 ppm2 .841 CV 1
OR { 569}
(( segid "A " and resid 41 and name HN ))
( segid "A " and resid 44 and name HD1%)
ASSI { 601}
(( segid "A " and resid 98 and name HN ))
(( segid "A " and resid 98 and name HG2 ))
2.700 2.700 3.300 peak 601 spectrum 1 weight .10000E+01 volume .20140E-02 ppm1 8.138 ppm2 2.393 CV 1
OR { 601}
(( segid "A " and resid 98 and name HN ))
(( segid "A " and resid 97 and name HG3 ))
ASSI { 645}
(( segid "A " and resid 92 and name HN ))
(( segid "A " and resid 89 and name HB3 ))
3.700 1.700 1.700 peak 645 spectrum 1 weight .10000E+01 volume .30837E-03 ppm1 8.807 ppm2 1.967 CV 1
OR { 645}
(( segid "A " and resid 92 and name HN ))
(( segid "A " and resid 94 and name HB2 ))
ASSI { 646}
(( segid "A " and resid 92 and name HN ))
( segid "A " and resid 93 and name HB% )
3.200 1.300 1.300 peak 646 spectrum 1 weight .10000E+01 volume .74710E-03 ppm1 8.809 ppm2 1.761 CV 1
OR { 646}
(( segid "A " and resid 92 and name HN ))
(( segid "A " and resid 95 and name HB2 ))
ASSI { 670}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 46 and name HG ))
2.500 .800 .800 peak 670 spectrum 1 weight .10000E+01 volume .30875E-02 ppm1 7.880 ppm2 1.511 CV 1
OR { 670}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 44 and name HB2 ))
ASSI { 732}
(( segid "A " and resid 97 and name HN ))
(( segid "A " and resid 96 and name HA ))
2.300 2.300 3.700 peak 732 spectrum 1 weight .10000E+01 volume .55815E-02 ppm1 8.003 ppm2 4.230 CV 1
OR { 732}
(( segid "A " and resid 97 and name HN ))
(( segid "A " and resid 95 and name HA ))
ASSI { 738}
(( segid "A " and resid 97 and name HN ))
(( segid "A " and resid 94 and name HG2 ))
3.400 1.500 1.500 peak 738 spectrum 1 weight .10000E+01 volume .48679E-03 ppm1 8.001 ppm2 1.738 CV 1
OR { 738}
(( segid "A " and resid 97 and name HN ))
(( segid "A " and resid 95 and name HB2 ))
ASSI { 750}
(( segid "A " and resid 51 and name HN ))
(( segid "A " and resid 46 and name HB2 ))
3.300 1.300 1.300 peak 750 spectrum 1 weight .10000E+01 volume .65263E-03 ppm1 7.734 ppm2 1.441 CV 1
OR { 750}
(( segid "A " and resid 51 and name HN ))
( segid "A " and resid 41 and name HB% )
ASSI { 754}
(( segid "A " and resid 51 and name HN ))
( segid "A " and resid 26 and name HD1%)
3.500 1.500 1.500 peak 754 spectrum 1 weight .10000E+01 volume .45338E-03 ppm1 7.734 ppm2 .722 CV 1
OR { 754}
(( segid "A " and resid 51 and name HN ))
( segid "A " and resid 46 and name HD1%)
ASSI { 793}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 58 and name HB ))
3.600 1.700 1.700 peak 793 spectrum 1 weight .10000E+01 volume .33952E-03 ppm1 8.723 ppm2 1.938 CV 1
OR { 793}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 57 and name HB2 ))
ASSI { 1000}
(( segid "A " and resid 43 and name HN ))
( segid "A " and resid 51 and name HG2%)
3.700 1.700 1.700 peak 1000 spectrum 1 weight .10000E+01 volume .29298E-03 ppm1 8.160 ppm2 .991 CV 1
OR { 1000}
(( segid "A " and resid 43 and name HN ))
(( segid "A " and resid 39 and name HG1 ))
ASSI { 1044}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 53 and name HA ))
3.100 1.200 1.200 peak 1044 spectrum 1 weight .10000E+01 volume .83497E-03 ppm1 7.695 ppm2 4.132 CV 1
OR { 1044}
(( segid "A " and resid 55 and name HN ))
(( segid "A " and resid 52 and name HB3 ))
ASSI { 1067}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 48 and name HA ))
2.900 1.100 1.100 peak 1067 spectrum 1 weight .10000E+01 volume .11926E-02 ppm1 8.330 ppm2 3.887 CV 1
OR { 1067}
(( segid "A " and resid 52 and name HN ))
(( segid "A " and resid 49 and name HA2 ))
ASSI { 1073}
(( segid "A " and resid 16 and name HN ))
(( segid "A " and resid 15 and name HA ))
2.400 .700 .700 peak 1073 spectrum 1 weight .10000E+01 volume .42945E-02 ppm1 8.914 ppm2 4.022 CV 1
OR { 1073}
(( segid "A " and resid 16 and name HN ))
(( segid "A " and resid 16 and name HA2 ))
ASSI { 1156}
(( segid "A " and resid 88 and name HN ))
(( segid "A " and resid 85 and name HA ))
3.100 1.200 1.200 peak 1156 spectrum 1 weight .10000E+01 volume .87086E-03 ppm1 7.539 ppm2 3.236 CV 1
OR { 1156}
(( segid "A " and resid 88 and name HN ))
(( segid "A " and resid 86 and name HA ))
ASSI { 1165}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 26 and name HB ))
3.500 1.500 1.500 peak 1165 spectrum 1 weight .10000E+01 volume .44472E-03 ppm1 7.495 ppm2 1.545 CV 1
OR { 1165}
(( segid "A " and resid 54 and name HN ))
( segid "A " and resid 50 and name HB% )
ASSI { 1167}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 26 and name HG13))
3.500 3.500 2.500 peak 1167 spectrum 1 weight .10000E+01 volume .43316E-03 ppm1 7.492 ppm2 1.183 CV 1
OR { 1167}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 57 and name HG2 ))
OR { 1167}
(( segid "A " and resid 54 and name HN ))
(( segid "A " and resid 23 and name HG1 ))
ASSI { 1184}
(( segid "A " and resid 23 and name HN ))
(( segid "A " and resid 20 and name HA1 ))
3.500 1.500 1.500 peak 1184 spectrum 1 weight .10000E+01 volume .42408E-03 ppm1 7.570 ppm2 4.041 CV 1
OR { 1184}
(( segid "A " and resid 19 and name HN ))
(( segid "A " and resid 20 and name HA1 ))
ASSI { 1310}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 60 and name HA ))
3.400 1.500 1.500 peak 1310 spectrum 1 weight .10000E+01 volume .48679E-03 ppm1 8.767 ppm2 3.960 CV 1
OR { 1310}
(( segid "A " and resid 60 and name HN ))
(( segid "A " and resid 59 and name HA ))
ASSI { 1327}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 41 and name HA ))
2.400 .700 .700 peak 1327 spectrum 1 weight .10000E+01 volume .39447E-02 ppm1 7.885 ppm2 3.958 CV 1
OR { 1327}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 45 and name HA1 ))
ASSI { 1343}
(( segid "A " and resid 71 and name HN ))
(( segid "A " and resid 69 and name HB2 ))
3.600 1.600 1.600 peak 1343 spectrum 1 weight .10000E+01 volume .36406E-03 ppm1 7.988 ppm2 2.051 CV 1
OR { 1343}
(( segid "A " and resid 71 and name HN ))
(( segid "A " and resid 68 and name HB2 ))
ASSI { 1369}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 36 and name HB3 ))
3.900 1.900 1.900 peak 1369 spectrum 1 weight .10000E+01 volume .22701E-03 ppm1 7.388 ppm2 1.970 CV 1
OR { 1369}
(( segid "A " and resid 40 and name HN ))
(( segid "A " and resid 37 and name HB2 ))
ASSI { 1386}
(( segid "A " and resid 59 and name HN ))
( segid "A " and resid 58 and name HG2%)
3.000 1.100 1.100 peak 1386 spectrum 1 weight .10000E+01 volume .10879E-02 ppm1 8.807 ppm2 .628 CV 1
OR { 1386}
(( segid "A " and resid 10 and name HN ))
( segid "A " and resid 5 and name HD2%)
ASSI { 1397}
(( segid "A " and resid 90 and name HN ))
(( segid "A " and resid 92 and name HB2 ))
3.400 1.400 1.400 peak 1397 spectrum 1 weight .10000E+01 volume .51608E-03 ppm1 8.888 ppm2 2.759 CV 1
OR { 1397}
(( segid "A " and resid 89 and name HN ))
(( segid "A " and resid 92 and name HB2 ))
ASSI { 1401}
(( segid "A " and resid 89 and name HN ))
(( segid "A " and resid 89 and name HB3 ))
3.000 1.100 1.100 peak 1401 spectrum 1 weight .10000E+01 volume .10763E-02 ppm1 8.889 ppm2 1.993 CV 1
OR { 1401}
(( segid "A " and resid 90 and name HN ))
(( segid "A " and resid 89 and name HB3 ))
ASSI { 1404}
(( segid "A " and resid 90 and name HN ))
( segid "A " and resid 91 and name HB% )
3.100 1.200 1.200 peak 1404 spectrum 1 weight .10000E+01 volume .91789E-03 ppm1 8.890 ppm2 1.640 CV 1
OR { 1404}
(( segid "A " and resid 89 and name HN ))
( segid "A " and resid 86 and name HG2%)
ASSI { 1407}
(( segid "A " and resid 90 and name HN ))
( segid "A " and resid 86 and name HG1%)
3.500 1.500 1.500 peak 1407 spectrum 1 weight .10000E+01 volume .41377E-03 ppm1 8.888 ppm2 1.012 CV 1
OR { 1407}
(( segid "A " and resid 89 and name HN ))
( segid "A " and resid 86 and name HG1%)
ASSI { 1471}
(( segid "A " and resid 26 and name HN ))
(( segid "A " and resid 21 and name HA ))
3.200 3.200 2.800 peak 1471 spectrum 1 weight .10000E+01 volume .69718E-03 ppm1 8.115 ppm2 3.971 CV 1
OR { 1471}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 59 and name HA ))
ASSI { 1491}
(( segid "A " and resid 30 and name HN ))
( segid "A " and resid 54 and name HB% )
2.700 2.700 3.300 peak 1491 spectrum 1 weight .10000E+01 volume .19629E-02 ppm1 7.935 ppm2 1.694 CV 1
OR { 1491}
(( segid "A " and resid 94 and name HN ))
(( segid "A " and resid 95 and name HD3 ))
ASSI { 1494}
(( segid "A " and resid 30 and name HN ))
(( segid "A " and resid 40 and name HB2 ))
3.800 1.800 1.800 peak 1494 spectrum 1 weight .10000E+01 volume .27314E-03 ppm1 7.932 ppm2 2.997 CV 1
OR { 1494}
(( segid "A " and resid 46 and name HN ))
(( segid "A " and resid 40 and name HB3 ))
OR { 1494}
(( segid "A " and resid 30 and name HN ))
(( segid "A " and resid 40 and name HB3 ))
ASSI { 1506}
(( segid "A " and resid 53 and name HE22))
(( segid "A " and resid 50 and name HA ))
3.800 1.800 1.800 peak 1506 spectrum 1 weight .10000E+01 volume .24377E-03 ppm1 7.441 ppm2 4.166 CV 1
OR { 1506}
(( segid "A " and resid 53 and name HE22))
(( segid "A " and resid 53 and name HA ))
ASSI { 1611}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 34 and name HA1 ))
3.900 1.900 1.900 peak 1611 spectrum 1 weight .10000E+01 volume .23077E-03 ppm1 8.083 ppm2 3.843 CV 1
OR { 1611}
(( segid "A " and resid 5 and name HN ))
(( segid "A " and resid 3 and name HA ))
ASSI { 1619}
(( segid "A " and resid 26 and name HN ))
( segid "A " and resid 10 and name HE% )
4.900 3.000 1.100 peak 1619 spectrum 1 weight .10000E+01 volume .57672E-04 ppm1 8.116 ppm2 7.149 CV 1
OR { 1619}
(( segid "A " and resid 5 and name HN ))
( segid "A " and resid 10 and name HE% )
ASSI { 1621}
(( segid "A " and resid 84 and name HN ))
(( segid "A " and resid 85 and name HA ))
3.800 1.800 1.800 peak 1621 spectrum 1 weight .10000E+01 volume .25219E-03 ppm1 7.856 ppm2 3.236 CV 1
OR { 1621}
(( segid "A " and resid 84 and name HN ))
(( segid "A " and resid 86 and name HA ))
ASSI { 13}
(( segid "B " and resid 76 and name HN ))
( segid "B " and resid 77 and name HG1%)
2.800 2.800 3.200 peak 13 spectrum 1 weight .10000E+01 volume .14880E-02 ppm1 9.088 ppm2 .880 CV 1
OR { 13}
(( segid "B " and resid 76 and name HN ))
( segid "A " and resid 74 and name HG1%)
OR { 13}
(( segid "B " and resid 76 and name HN ))
( segid "B " and resid 74 and name HG1%)
ASSI { 33}
(( segid "B " and resid 18 and name HN ))
( segid "B " and resid 19 and name HG2%)
3.000 1.100 1.100 peak 33 spectrum 1 weight .10000E+01 volume .10066E-02 ppm1 8.774 ppm2 .806 CV 1
OR { 33}
(( segid "B " and resid 18 and name HN ))
( segid "B " and resid 17 and name HD2%)
ASSI { 52}
(( segid "B " and resid 74 and name HN ))
( segid "A " and resid 76 and name HB% )
3.300 1.300 1.300 peak 52 spectrum 1 weight .10000E+01 volume .64933E-03 ppm1 9.191 ppm2 1.108 CV 1
OR { 52}
(( segid "B " and resid 74 and name HN ))
(( segid "B " and resid 75 and name HG1 ))
ASSI { 153}
(( segid "B " and resid 47 and name HN ))
(( segid "B " and resid 41 and name HA ))
3.700 1.700 1.700 peak 153 spectrum 1 weight .10000E+01 volume .29508E-03 ppm1 7.962 ppm2 3.947 CV 1
OR { 153}
(( segid "B " and resid 47 and name HN ))
(( segid "B " and resid 45 and name HA1 ))
ASSI { 569}
(( segid "B " and resid 41 and name HN ))
( segid "B " and resid 46 and name HD2%)
3.700 1.700 1.700 peak 569 spectrum 1 weight .10000E+01 volume .31840E-03 ppm1 7.621 ppm2 .841 CV 1
OR { 569}
(( segid "B " and resid 41 and name HN ))
( segid "B " and resid 44 and name HD1%)
ASSI { 601}
(( segid "B " and resid 98 and name HN ))
(( segid "B " and resid 98 and name HG2 ))
2.700 2.700 3.300 peak 601 spectrum 1 weight .10000E+01 volume .20140E-02 ppm1 8.138 ppm2 2.393 CV 1
OR { 601}
(( segid "B " and resid 98 and name HN ))
(( segid "B " and resid 97 and name HG3 ))
ASSI { 645}
(( segid "B " and resid 92 and name HN ))
(( segid "B " and resid 89 and name HB3 ))
3.700 1.700 1.700 peak 645 spectrum 1 weight .10000E+01 volume .30837E-03 ppm1 8.807 ppm2 1.967 CV 1
OR { 645}
(( segid "B " and resid 92 and name HN ))
(( segid "B " and resid 94 and name HB2 ))
ASSI { 646}
(( segid "B " and resid 92 and name HN ))
( segid "B " and resid 93 and name HB% )
3.200 1.300 1.300 peak 646 spectrum 1 weight .10000E+01 volume .74710E-03 ppm1 8.809 ppm2 1.761 CV 1
OR { 646}
(( segid "B " and resid 92 and name HN ))
(( segid "B " and resid 95 and name HB2 ))
ASSI { 670}
(( segid "B " and resid 46 and name HN ))
(( segid "B " and resid 46 and name HG ))
2.500 .800 .800 peak 670 spectrum 1 weight .10000E+01 volume .30875E-02 ppm1 7.880 ppm2 1.511 CV 1
OR { 670}
(( segid "B " and resid 46 and name HN ))
(( segid "B " and resid 44 and name HB2 ))
ASSI { 732}
(( segid "B " and resid 97 and name HN ))
(( segid "B " and resid 96 and name HA ))
2.300 2.300 3.700 peak 732 spectrum 1 weight .10000E+01 volume .55815E-02 ppm1 8.003 ppm2 4.230 CV 1
OR { 732}
(( segid "B " and resid 97 and name HN ))
(( segid "B " and resid 95 and name HA ))
ASSI { 738}
(( segid "B " and resid 97 and name HN ))
(( segid "B " and resid 94 and name HG2 ))
3.400 1.500 1.500 peak 738 spectrum 1 weight .10000E+01 volume .48679E-03 ppm1 8.001 ppm2 1.738 CV 1
OR { 738}
(( segid "B " and resid 97 and name HN ))
(( segid "B " and resid 95 and name HB2 ))
ASSI { 750}
(( segid "B " and resid 51 and name HN ))
(( segid "B " and resid 46 and name HB2 ))
3.300 1.300 1.300 peak 750 spectrum 1 weight .10000E+01 volume .65263E-03 ppm1 7.734 ppm2 1.441 CV 1
OR { 750}
(( segid "B " and resid 51 and name HN ))
( segid "B " and resid 41 and name HB% )
ASSI { 754}
(( segid "B " and resid 51 and name HN ))
( segid "B " and resid 26 and name HD1%)
3.500 1.500 1.500 peak 754 spectrum 1 weight .10000E+01 volume .45338E-03 ppm1 7.734 ppm2 .722 CV 1
OR { 754}
(( segid "B " and resid 51 and name HN ))
( segid "B " and resid 46 and name HD1%)
ASSI { 793}
(( segid "B " and resid 60 and name HN ))
(( segid "B " and resid 58 and name HB ))
3.600 1.700 1.700 peak 793 spectrum 1 weight .10000E+01 volume .33952E-03 ppm1 8.723 ppm2 1.938 CV 1
OR { 793}
(( segid "B " and resid 60 and name HN ))
(( segid "B " and resid 57 and name HB2 ))
ASSI { 1000}
(( segid "B " and resid 43 and name HN ))
( segid "B " and resid 51 and name HG2%)
3.700 1.700 1.700 peak 1000 spectrum 1 weight .10000E+01 volume .29298E-03 ppm1 8.160 ppm2 .991 CV 1
OR { 1000}
(( segid "B " and resid 43 and name HN ))
(( segid "B " and resid 39 and name HG1 ))
ASSI { 1044}
(( segid "B " and resid 55 and name HN ))
(( segid "B " and resid 53 and name HA ))
3.100 1.200 1.200 peak 1044 spectrum 1 weight .10000E+01 volume .83497E-03 ppm1 7.695 ppm2 4.132 CV 1
OR { 1044}
(( segid "B " and resid 55 and name HN ))
(( segid "B " and resid 52 and name HB3 ))
ASSI { 1067}
(( segid "B " and resid 52 and name HN ))
(( segid "B " and resid 48 and name HA ))
2.900 1.100 1.100 peak 1067 spectrum 1 weight .10000E+01 volume .11926E-02 ppm1 8.330 ppm2 3.887 CV 1
OR { 1067}
(( segid "B " and resid 52 and name HN ))
(( segid "B " and resid 49 and name HA2 ))
ASSI { 1073}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 15 and name HA ))
2.400 .700 .700 peak 1073 spectrum 1 weight .10000E+01 volume .42945E-02 ppm1 8.914 ppm2 4.022 CV 1
OR { 1073}
(( segid "B " and resid 16 and name HN ))
(( segid "B " and resid 16 and name HA2 ))
ASSI { 1156}
(( segid "B " and resid 88 and name HN ))
(( segid "B " and resid 85 and name HA ))
3.100 1.200 1.200 peak 1156 spectrum 1 weight .10000E+01 volume .87086E-03 ppm1 7.539 ppm2 3.236 CV 1
OR { 1156}
(( segid "B " and resid 88 and name HN ))
(( segid "B " and resid 86 and name HA ))
ASSI { 1165}
(( segid "B " and resid 54 and name HN ))
(( segid "B " and resid 26 and name HB ))
3.500 1.500 1.500 peak 1165 spectrum 1 weight .10000E+01 volume .44472E-03 ppm1 7.495 ppm2 1.545 CV 1
OR { 1165}
(( segid "B " and resid 54 and name HN ))
( segid "B " and resid 50 and name HB% )
ASSI { 1167}
(( segid "B " and resid 54 and name HN ))
(( segid "B " and resid 26 and name HG13))
3.500 3.500 2.500 peak 1167 spectrum 1 weight .10000E+01 volume .43316E-03 ppm1 7.492 ppm2 1.183 CV 1
OR { 1167}
(( segid "B " and resid 54 and name HN ))
(( segid "B " and resid 57 and name HG2 ))
OR { 1167}
(( segid "B " and resid 54 and name HN ))
(( segid "B " and resid 23 and name HG1 ))
ASSI { 1184}
(( segid "B " and resid 23 and name HN ))
(( segid "B " and resid 20 and name HA1 ))
3.500 1.500 1.500 peak 1184 spectrum 1 weight .10000E+01 volume .42408E-03 ppm1 7.570 ppm2 4.041 CV 1
OR { 1184}
(( segid "B " and resid 19 and name HN ))
(( segid "B " and resid 20 and name HA1 ))
ASSI { 1310}
(( segid "B " and resid 60 and name HN ))
(( segid "B " and resid 60 and name HA ))
3.400 1.500 1.500 peak 1310 spectrum 1 weight .10000E+01 volume .48679E-03 ppm1 8.767 ppm2 3.960 CV 1
OR { 1310}
(( segid "B " and resid 60 and name HN ))
(( segid "B " and resid 59 and name HA ))
ASSI { 1327}
(( segid "B " and resid 46 and name HN ))
(( segid "B " and resid 41 and name HA ))
2.400 .700 .700 peak 1327 spectrum 1 weight .10000E+01 volume .39447E-02 ppm1 7.885 ppm2 3.958 CV 1
OR { 1327}
(( segid "B " and resid 46 and name HN ))
(( segid "B " and resid 45 and name HA1 ))
ASSI { 1343}
(( segid "B " and resid 71 and name HN ))
(( segid "B " and resid 69 and name HB2 ))
3.600 1.600 1.600 peak 1343 spectrum 1 weight .10000E+01 volume .36406E-03 ppm1 7.988 ppm2 2.051 CV 1
OR { 1343}
(( segid "B " and resid 71 and name HN ))
(( segid "B " and resid 68 and name HB2 ))
ASSI { 1369}
(( segid "B " and resid 40 and name HN ))
(( segid "B " and resid 36 and name HB3 ))
3.900 1.900 1.900 peak 1369 spectrum 1 weight .10000E+01 volume .22701E-03 ppm1 7.388 ppm2 1.970 CV 1
OR { 1369}
(( segid "B " and resid 40 and name HN ))
(( segid "B " and resid 37 and name HB2 ))
ASSI { 1386}
(( segid "B " and resid 59 and name HN ))
( segid "B " and resid 58 and name HG2%)
3.000 1.100 1.100 peak 1386 spectrum 1 weight .10000E+01 volume .10879E-02 ppm1 8.807 ppm2 .628 CV 1
OR { 1386}
(( segid "B " and resid 10 and name HN ))
( segid "B " and resid 5 and name HD2%)
ASSI { 1397}
(( segid "B " and resid 90 and name HN ))
(( segid "B " and resid 92 and name HB2 ))
3.400 1.400 1.400 peak 1397 spectrum 1 weight .10000E+01 volume .51608E-03 ppm1 8.888 ppm2 2.759 CV 1
OR { 1397}
(( segid "B " and resid 89 and name HN ))
(( segid "B " and resid 92 and name HB2 ))
ASSI { 1401}
(( segid "B " and resid 89 and name HN ))
(( segid "B " and resid 89 and name HB3 ))
3.000 1.100 1.100 peak 1401 spectrum 1 weight .10000E+01 volume .10763E-02 ppm1 8.889 ppm2 1.993 CV 1
OR { 1401}
(( segid "B " and resid 90 and name HN ))
(( segid "B " and resid 89 and name HB3 ))
ASSI { 1404}
(( segid "B " and resid 90 and name HN ))
( segid "B " and resid 91 and name HB% )
3.100 1.200 1.200 peak 1404 spectrum 1 weight .10000E+01 volume .91789E-03 ppm1 8.890 ppm2 1.640 CV 1
OR { 1404}
(( segid "B " and resid 89 and name HN ))
( segid "B " and resid 86 and name HG2%)
ASSI { 1407}
(( segid "B " and resid 90 and name HN ))
( segid "B " and resid 86 and name HG1%)
3.500 1.500 1.500 peak 1407 spectrum 1 weight .10000E+01 volume .41377E-03 ppm1 8.888 ppm2 1.012 CV 1
OR { 1407}
(( segid "B " and resid 89 and name HN ))
( segid "B " and resid 86 and name HG1%)
ASSI { 1471}
(( segid "B " and resid 26 and name HN ))
(( segid "B " and resid 21 and name HA ))
3.200 3.200 2.800 peak 1471 spectrum 1 weight .10000E+01 volume .69718E-03 ppm1 8.115 ppm2 3.971 CV 1
OR { 1471}
(( segid "B " and resid 5 and name HN ))
(( segid "B " and resid 59 and name HA ))
ASSI { 1491}
(( segid "B " and resid 30 and name HN ))
( segid "B " and resid 54 and name HB% )
2.700 2.700 3.300 peak 1491 spectrum 1 weight .10000E+01 volume .19629E-02 ppm1 7.935 ppm2 1.694 CV 1
OR { 1491}
(( segid "B " and resid 94 and name HN ))
(( segid "B " and resid 95 and name HD3 ))
ASSI { 1494}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 40 and name HB2 ))
3.800 1.800 1.800 peak 1494 spectrum 1 weight .10000E+01 volume .27314E-03 ppm1 7.932 ppm2 2.997 CV 1
OR { 1494}
(( segid "B " and resid 46 and name HN ))
(( segid "B " and resid 40 and name HB3 ))
OR { 1494}
(( segid "B " and resid 30 and name HN ))
(( segid "B " and resid 40 and name HB3 ))
ASSI { 1506}
(( segid "B " and resid 53 and name HE22))
(( segid "B " and resid 50 and name HA ))
3.800 1.800 1.800 peak 1506 spectrum 1 weight .10000E+01 volume .24377E-03 ppm1 7.441 ppm2 4.166 CV 1
OR { 1506}
(( segid "B " and resid 53 and name HE22))
(( segid "B " and resid 53 and name HA ))
ASSI { 1611}
(( segid "B " and resid 5 and name HN ))
(( segid "B " and resid 34 and name HA1 ))
3.900 1.900 1.900 peak 1611 spectrum 1 weight .10000E+01 volume .23077E-03 ppm1 8.083 ppm2 3.843 CV 1
OR { 1611}
(( segid "B " and resid 5 and name HN ))
(( segid "B " and resid 3 and name HA ))
ASSI { 1619}
(( segid "B " and resid 26 and name HN ))
( segid "B " and resid 10 and name HE% )
4.900 3.000 1.100 peak 1619 spectrum 1 weight .10000E+01 volume .57672E-04 ppm1 8.116 ppm2 7.149 CV 1
OR { 1619}
(( segid "B " and resid 5 and name HN ))
( segid "B " and resid 10 and name HE% )
ASSI { 1621}
(( segid "B " and resid 84 and name HN ))
(( segid "B " and resid 85 and name HA ))
3.800 1.800 1.800 peak 1621 spectrum 1 weight .10000E+01 volume .25219E-03 ppm1 7.856 ppm2 3.236 CV 1
OR { 1621}
(( segid "B " and resid 84 and name HN ))
(( segid "B " and resid 86 and name HA ))
ASSI { 447}
(( segid "A " and resid 14 and name HA ))
( segid "A " and resid 24 and name HD1%)
2.400 2.400 3.600 peak 447 spectrum 1 weight .10000E+01 volume .30917E-02 ppm1 4.072 ppm2 .776 CV 1
OR { 447}
(( segid "A " and resid 14 and name HA ))
( segid "A " and resid 58 and name HG1%)
ASSI { 502}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 11 and name HB3 ))
2.500 2.500 3.500 peak 502 spectrum 1 weight .10000E+01 volume .22235E-02 ppm1 4.252 ppm2 2.168 CV 1
OR { 502}
(( segid "A " and resid 8 and name HA ))
(( segid "A " and resid 7 and name HB3 ))
ASSI { 505}
(( segid "A " and resid 94 and name HA ))
(( segid "A " and resid 94 and name HB2 ))
2.100 .600 .600 peak 505 spectrum 1 weight .10000E+01 volume .61623E-02 ppm1 4.180 ppm2 1.956 CV 1
OR { 505}
(( segid "A " and resid 95 and name HA ))
(( segid "A " and resid 95 and name HB3 ))
ASSI { 540}
(( segid "A " and resid 53 and name HA ))
(( segid "A " and resid 53 and name HB3 ))
2.200 .600 .600 peak 540 spectrum 1 weight .10000E+01 volume .53288E-02 ppm1 4.167 ppm2 2.150 CV 1
OR { 540}
(( segid "A " and resid 22 and name HA ))
(( segid "A " and resid 25 and name HB2 ))
ASSI { 551}
(( segid "A " and resid 51 and name HA ))
(( segid "A " and resid 46 and name HB2 ))
3.100 1.200 1.200 peak 551 spectrum 1 weight .10000E+01 volume .65393E-03 ppm1 3.626 ppm2 1.432 CV 1
OR { 551}
(( segid "A " and resid 51 and name HA ))
( segid "A " and resid 41 and name HB% )
ASSI { 628}
(( segid "A " and resid 50 and name HA ))
(( segid "A " and resid 53 and name HB3 ))
2.500 .800 .800 peak 628 spectrum 1 weight .10000E+01 volume .23997E-02 ppm1 4.189 ppm2 2.133 CV 1
OR { 628}
(( segid "A " and resid 54 and name HA ))
(( segid "A " and resid 53 and name HB3 ))
ASSI { 784}
(( segid "A " and resid 99 and name HA ))
(( segid "A " and resid 101 and name HA ))
1.800 1.800 4.200 peak 784 spectrum 1 weight .10000E+01 volume .14425E-01 ppm1 4.324 ppm2 4.196 CV 1
OR { 784}
(( segid "A " and resid 99 and name HA ))
(( segid "A " and resid 95 and name HA ))
ASSI { 885}
( segid "A " and resid 58 and name HG2%)
(( segid "A " and resid 23 and name HN ))
3.100 3.100 2.900 peak 885 spectrum 1 weight .10000E+01 volume .66452E-03 ppm1 .662 ppm2 7.552 CV 1
OR { 885}
( segid "A " and resid 58 and name HG2%)
(( segid "A " and resid 19 and name HN ))
OR { 885}
( segid "A " and resid 58 and name HG2%)
(( segid "A " and resid 17 and name HN ))
ASSI { 952}
( segid "A " and resid 5 and name HD1%)
( segid "A " and resid 27 and name HB% )
2.600 2.600 3.400 peak 952 spectrum 1 weight .10000E+01 volume .16339E-02 ppm1 .052 ppm2 1.662 CV 1
OR { 952}
( segid "A " and resid 5 and name HD1%)
(( segid "A " and resid 4 and name HG3 ))
ASSI { 957}
( segid "A " and resid 19 and name HG2%)
(( segid "A " and resid 23 and name HG1 ))
2.300 2.300 3.700 peak 957 spectrum 1 weight .10000E+01 volume .43048E-02 ppm1 .784 ppm2 1.172 CV 1
OR { 957}
( segid "A " and resid 58 and name HG1%)
(( segid "A " and resid 14 and name HG12))
ASSI { 1207}
( segid "A " and resid 14 and name HG2%)
(( segid "A " and resid 15 and name HA ))
2.300 2.300 3.700 peak 1207 spectrum 1 weight .10000E+01 volume .40922E-02 ppm1 .283 ppm2 4.040 CV 1
OR { 1207}
( segid "A " and resid 14 and name HG2%)
(( segid "A " and resid 12 and name HA ))
OR { 1207}
( segid "A " and resid 14 and name HG2%)
(( segid "A " and resid 25 and name HA ))
ASSI { 1209}
( segid "A " and resid 14 and name HG2%)
( segid "A " and resid 61 and name HB% )
2.500 2.500 3.500 peak 1209 spectrum 1 weight .10000E+01 volume .22371E-02 ppm1 .283 ppm2 1.519 CV 1
OR { 1209}
( segid "A " and resid 14 and name HG2%)
(( segid "A " and resid 17 and name HB3 ))
ASSI { 1230}
( segid "A " and resid 26 and name HG2%)
(( segid "A " and resid 26 and name HG12))
2.100 .500 .500 peak 1230 spectrum 1 weight .10000E+01 volume .67823E-02 ppm1 .643 ppm2 .991 CV 1
OR { 1230}
( segid "A " and resid 26 and name HG2%)
( segid "A " and resid 30 and name HG2%)
ASSI { 1246}
( segid "A " and resid 24 and name HG2%)
(( segid "A " and resid 23 and name HN ))
2.400 2.400 3.600 peak 1246 spectrum 1 weight .10000E+01 volume .29918E-02 ppm1 1.112 ppm2 7.543 CV 1
OR { 1246}
( segid "A " and resid 24 and name HG2%)
(( segid "A " and resid 19 and name HN ))
ASSI { 1263}
( segid "A " and resid 60 and name HB% )
(( segid "A " and resid 59 and name HD1 ))
2.700 2.700 3.300 peak 1263 spectrum 1 weight .10000E+01 volume .15772E-02 ppm1 1.328 ppm2 7.109 CV 1
OR { 1263}
( segid "A " and resid 60 and name HB% )
(( segid "A " and resid 58 and name HN ))
ASSI { 1537}
(( segid "A " and resid 10 and name HB3 ))
( segid "A " and resid 5 and name HD2%)
3.000 3.000 3.000 peak 1537 spectrum 1 weight .10000E+01 volume .74244E-03 ppm1 2.769 ppm2 .604 CV 1
OR { 1537}
(( segid "A " and resid 10 and name HB3 ))
(( segid "A " and resid 28 and name HG2 ))
ASSI { 1608}
( segid "A " and resid 76 and name HB% )
(( segid "A " and resid 78 and name HA ))
2.500 2.500 3.500 peak 1608 spectrum 1 weight .10000E+01 volume .20981E-02 ppm1 1.122 ppm2 5.007 CV 1
OR { 1608}
( segid "A " and resid 76 and name HB% )
(( segid "B " and resid 73 and name HA ))
ASSI { 1638}
( segid "A " and resid 13 and name HB% )
(( segid "A " and resid 65 and name HD3 ))
2.100 2.100 3.900 peak 1638 spectrum 1 weight .10000E+01 volume .67638E-02 ppm1 1.393 ppm2 1.613 CV 1
OR { 1638}
( segid "A " and resid 13 and name HB% )
(( segid "A " and resid 24 and name HG12))
ASSI { 1684}
( segid "A " and resid 38 and name HB% )
(( segid "A " and resid 40 and name HB2 ))
2.500 2.500 3.500 peak 1684 spectrum 1 weight .10000E+01 volume .22879E-02 ppm1 1.645 ppm2 2.989 CV 1
OR { 1684}
( segid "A " and resid 38 and name HB% )
(( segid "A " and resid 40 and name HB3 ))
OR { 1684}
( segid "A " and resid 91 and name HB% )
(( segid "A " and resid 95 and name HE2 ))
ASSI { 1685}
( segid "A " and resid 38 and name HB% )
(( segid "A " and resid 36 and name HB3 ))
2.300 2.300 3.700 peak 1685 spectrum 1 weight .10000E+01 volume .41615E-02 ppm1 1.644 ppm2 1.957 CV 1
OR { 1685}
( segid "A " and resid 38 and name HB% )
(( segid "A " and resid 37 and name HB2 ))
ASSI { 1687}
( segid "A " and resid 41 and name HB% )
(( segid "A " and resid 39 and name HG1 ))
2.000 2.000 4.000 peak 1687 spectrum 1 weight .10000E+01 volume .84596E-02 ppm1 1.454 ppm2 .977 CV 1
OR { 1687}
( segid "A " and resid 41 and name HB% )
(( segid "A " and resid 26 and name HG12))
ASSI { 1720}
(( segid "A " and resid 17 and name HG ))
(( segid "A " and resid 57 and name HB3 ))
2.500 2.500 3.500 peak 1720 spectrum 1 weight .10000E+01 volume .24810E-02 ppm1 1.722 ppm2 2.063 CV 1
OR { 1720}
(( segid "A " and resid 17 and name HG ))
(( segid "A " and resid 18 and name HG3 ))
ASSI { 1780}
(( segid "A " and resid 17 and name HB2 ))
(( segid "A " and resid 16 and name HA2 ))
2.800 2.800 3.200 peak 1780 spectrum 1 weight .10000E+01 volume .10681E-02 ppm1 1.514 ppm2 4.039 CV 1
OR { 1780}
(( segid "A " and resid 17 and name HB2 ))
(( segid "A " and resid 15 and name HA ))
ASSI { 447}
(( segid "B " and resid 14 and name HA ))
( segid "B " and resid 24 and name HD1%)
2.400 2.400 3.600 peak 447 spectrum 1 weight .10000E+01 volume .30917E-02 ppm1 4.072 ppm2 .776 CV 1
OR { 447}
(( segid "B " and resid 14 and name HA ))
( segid "B " and resid 58 and name HG1%)
ASSI { 502}
(( segid "B " and resid 8 and name HA ))
(( segid "B " and resid 11 and name HB3 ))
2.500 2.500 3.500 peak 502 spectrum 1 weight .10000E+01 volume .22235E-02 ppm1 4.252 ppm2 2.168 CV 1
OR { 502}
(( segid "B " and resid 8 and name HA ))
(( segid "B " and resid 7 and name HB3 ))
ASSI { 505}
(( segid "B " and resid 94 and name HA ))
(( segid "B " and resid 94 and name HB2 ))
2.100 .600 .600 peak 505 spectrum 1 weight .10000E+01 volume .61623E-02 ppm1 4.180 ppm2 1.956 CV 1
OR { 505}
(( segid "B " and resid 95 and name HA ))
(( segid "B " and resid 95 and name HB3 ))
ASSI { 540}
(( segid "B " and resid 53 and name HA ))
(( segid "B " and resid 53 and name HB3 ))
2.200 .600 .600 peak 540 spectrum 1 weight .10000E+01 volume .53288E-02 ppm1 4.167 ppm2 2.150 CV 1
OR { 540}
(( segid "B " and resid 22 and name HA ))
(( segid "B " and resid 25 and name HB2 ))
ASSI { 551}
(( segid "B " and resid 51 and name HA ))
(( segid "B " and resid 46 and name HB2 ))
3.100 1.200 1.200 peak 551 spectrum 1 weight .10000E+01 volume .65393E-03 ppm1 3.626 ppm2 1.432 CV 1
OR { 551}
(( segid "B " and resid 51 and name HA ))
( segid "B " and resid 41 and name HB% )
ASSI { 628}
(( segid "B " and resid 50 and name HA ))
(( segid "B " and resid 53 and name HB3 ))
2.500 .800 .800 peak 628 spectrum 1 weight .10000E+01 volume .23997E-02 ppm1 4.189 ppm2 2.133 CV 1
OR { 628}
(( segid "B " and resid 54 and name HA ))
(( segid "B " and resid 53 and name HB3 ))
ASSI { 784}
(( segid "B " and resid 99 and name HA ))
(( segid "B " and resid 101 and name HA ))
1.800 1.800 4.200 peak 784 spectrum 1 weight .10000E+01 volume .14425E-01 ppm1 4.324 ppm2 4.196 CV 1
OR { 784}
(( segid "B " and resid 99 and name HA ))
(( segid "B " and resid 95 and name HA ))
ASSI { 885}
( segid "B " and resid 58 and name HG2%)
(( segid "B " and resid 23 and name HN ))
3.100 3.100 2.900 peak 885 spectrum 1 weight .10000E+01 volume .66452E-03 ppm1 .662 ppm2 7.552 CV 1
OR { 885}
( segid "B " and resid 58 and name HG2%)
(( segid "B " and resid 19 and name HN ))
OR { 885}
( segid "B " and resid 58 and name HG2%)
(( segid "B " and resid 17 and name HN ))
ASSI { 952}
( segid "B " and resid 5 and name HD1%)
( segid "B " and resid 27 and name HB% )
2.600 2.600 3.400 peak 952 spectrum 1 weight .10000E+01 volume .16339E-02 ppm1 .052 ppm2 1.662 CV 1
OR { 952}
( segid "B " and resid 5 and name HD1%)
(( segid "B " and resid 4 and name HG3 ))
ASSI { 957}
( segid "B " and resid 19 and name HG2%)
(( segid "B " and resid 23 and name HG1 ))
2.300 2.300 3.700 peak 957 spectrum 1 weight .10000E+01 volume .43048E-02 ppm1 .784 ppm2 1.172 CV 1
OR { 957}
( segid "B " and resid 58 and name HG1%)
(( segid "B " and resid 14 and name HG12))
ASSI { 1207}
( segid "B " and resid 14 and name HG2%)
(( segid "B " and resid 15 and name HA ))
2.300 2.300 3.700 peak 1207 spectrum 1 weight .10000E+01 volume .40922E-02 ppm1 .283 ppm2 4.040 CV 1
OR { 1207}
( segid "B " and resid 14 and name HG2%)
(( segid "B " and resid 12 and name HA ))
OR { 1207}
( segid "B " and resid 14 and name HG2%)
(( segid "B " and resid 25 and name HA ))
ASSI { 1209}
( segid "B " and resid 14 and name HG2%)
( segid "B " and resid 61 and name HB% )
2.500 2.500 3.500 peak 1209 spectrum 1 weight .10000E+01 volume .22371E-02 ppm1 .283 ppm2 1.519 CV 1
OR { 1209}
( segid "B " and resid 14 and name HG2%)
(( segid "B " and resid 17 and name HB3 ))
ASSI { 1230}
( segid "B " and resid 26 and name HG2%)
(( segid "B " and resid 26 and name HG12))
2.100 .500 .500 peak 1230 spectrum 1 weight .10000E+01 volume .67823E-02 ppm1 .643 ppm2 .991 CV 1
OR { 1230}
( segid "B " and resid 26 and name HG2%)
( segid "B " and resid 30 and name HG2%)
ASSI { 1246}
( segid "B " and resid 24 and name HG2%)
(( segid "B " and resid 23 and name HN ))
2.400 2.400 3.600 peak 1246 spectrum 1 weight .10000E+01 volume .29918E-02 ppm1 1.112 ppm2 7.543 CV 1
OR { 1246}
( segid "B " and resid 24 and name HG2%)
(( segid "B " and resid 19 and name HN ))
ASSI { 1263}
( segid "B " and resid 60 and name HB% )
(( segid "B " and resid 59 and name HD1 ))
2.700 2.700 3.300 peak 1263 spectrum 1 weight .10000E+01 volume .15772E-02 ppm1 1.328 ppm2 7.109 CV 1
OR { 1263}
( segid "B " and resid 60 and name HB% )
(( segid "B " and resid 58 and name HN ))
ASSI { 1537}
(( segid "B " and resid 10 and name HB3 ))
( segid "B " and resid 5 and name HD2%)
3.000 3.000 3.000 peak 1537 spectrum 1 weight .10000E+01 volume .74244E-03 ppm1 2.769 ppm2 .604 CV 1
OR { 1537}
(( segid "B " and resid 10 and name HB3 ))
(( segid "B " and resid 28 and name HG2 ))
ASSI { 1608}
( segid "B " and resid 76 and name HB% )
(( segid "B " and resid 78 and name HA ))
2.500 2.500 3.500 peak 1608 spectrum 1 weight .10000E+01 volume .20981E-02 ppm1 1.122 ppm2 5.007 CV 1
OR { 1608}
( segid "B " and resid 76 and name HB% )
(( segid "A " and resid 73 and name HA ))
ASSI { 1638}
( segid "B " and resid 13 and name HB% )
(( segid "B " and resid 65 and name HD3 ))
2.100 2.100 3.900 peak 1638 spectrum 1 weight .10000E+01 volume .67638E-02 ppm1 1.393 ppm2 1.613 CV 1
OR { 1638}
( segid "B " and resid 13 and name HB% )
(( segid "B " and resid 24 and name HG12))
ASSI { 1684}
( segid "B " and resid 38 and name HB% )
(( segid "B " and resid 40 and name HB2 ))
2.500 2.500 3.500 peak 1684 spectrum 1 weight .10000E+01 volume .22879E-02 ppm1 1.645 ppm2 2.989 CV 1
OR { 1684}
( segid "B " and resid 38 and name HB% )
(( segid "B " and resid 40 and name HB3 ))
OR { 1684}
( segid "B " and resid 91 and name HB% )
(( segid "B " and resid 95 and name HE2 ))
ASSI { 1685}
( segid "B " and resid 38 and name HB% )
(( segid "B " and resid 36 and name HB3 ))
2.300 2.300 3.700 peak 1685 spectrum 1 weight .10000E+01 volume .41615E-02 ppm1 1.644 ppm2 1.957 CV 1
OR { 1685}
( segid "B " and resid 38 and name HB% )
(( segid "B " and resid 37 and name HB2 ))
ASSI { 1687}
( segid "B " and resid 41 and name HB% )
(( segid "B " and resid 39 and name HG1 ))
2.000 2.000 4.000 peak 1687 spectrum 1 weight .10000E+01 volume .84596E-02 ppm1 1.454 ppm2 .977 CV 1
OR { 1687}
( segid "B " and resid 41 and name HB% )
(( segid "B " and resid 26 and name HG12))
ASSI { 1720}
(( segid "B " and resid 17 and name HG ))
(( segid "B " and resid 57 and name HB3 ))
2.500 2.500 3.500 peak 1720 spectrum 1 weight .10000E+01 volume .24810E-02 ppm1 1.722 ppm2 2.063 CV 1
OR { 1720}
(( segid "B " and resid 17 and name HG ))
(( segid "B " and resid 18 and name HG3 ))
ASSI { 1780}
(( segid "B " and resid 17 and name HB2 ))
(( segid "B " and resid 16 and name HA2 ))
2.800 2.800 3.200 peak 1780 spectrum 1 weight .10000E+01 volume .10681E-02 ppm1 1.514 ppm2 4.039 CV 1
OR { 1780}
(( segid "B " and resid 17 and name HB2 ))
(( segid "B " and resid 15 and name HA ))
! dimer interface
Contact the webmaster for help, if required. Tuesday, May 14, 2024 3:13:12 AM GMT (wattos1)